#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 0.52 0.01 1.43 4.57 -2.05 -2.26 114.58 116.80 2pru h GLU 2 Ca 0.00 -0.62 -0.25 0.00 -1.18 0.00 0.00 59.36 57.31 2pru h GLU 2 Cb 0.00 0.19 -0.03 0.00 -0.16 0.00 0.00 28.75 28.75 2pru h GLU 2 CO 0.00 1.24 -1.29 1.25 -1.18 0.00 0.00 179.01 179.04 2pru h LEU 3 N 0.07 0.04 0.05 1.64 7.12 -2.06 -3.12 115.31 119.05 2pru h LEU 3 Ca -0.12 -0.06 0.03 0.00 0.13 0.00 0.00 57.88 57.85 2pru h LEU 3 Cb 1.59 -0.01 -0.05 0.00 -0.53 0.00 0.00 40.66 41.66 2pru h LEU 3 CO 0.17 1.05 -0.35 -0.08 -0.13 0.00 0.00 178.44 179.10 2pru h GLU 4 N 0.01 -0.52 0.00 1.25 4.81 -2.01 -1.76 114.58 116.35 2pru h GLU 4 Ca -0.12 0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.09 2pru h GLU 4 Cb 1.88 0.12 -0.01 0.00 0.63 0.00 0.00 28.75 31.37 2pru h GLU 4 CO 0.12 -0.35 -0.23 1.57 -0.73 0.00 0.00 179.01 179.39 2pru h LYS 5 N -0.54 0.00 0.15 1.92 2.10 -1.47 -2.95 116.57 115.78 2pru h LYS 5 Ca 0.05 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.69 2pru h LYS 5 Cb 0.60 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.93 2pru h LYS 5 CO -0.25 0.23 -0.07 0.00 -2.00 0.00 0.00 179.45 177.35 2pru h ALA 6 N 1.77 -0.20 -0.80 0.07 0.00 -1.29 -0.47 119.26 118.34 2pru h ALA 6 Ca -0.00 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 2pru h ALA 6 Cb 0.41 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 2pru h ALA 6 CO 0.03 -0.48 0.40 1.98 0.00 0.00 0.00 179.25 181.18 2pru h MET 7 N -0.46 1.14 -0.76 0.00 1.85 -1.22 -1.15 114.93 114.34 2pru h MET 7 Ca -0.02 -0.15 -0.04 0.00 -0.61 0.00 0.00 59.70 58.88 2pru h MET 7 Cb 0.36 -0.21 -0.03 0.00 0.43 0.00 0.00 31.60 32.14 2pru h MET 7 CO 0.03 0.87 0.32 0.28 -0.40 0.00 0.00 176.91 178.01 2pru h VAL 8 N 1.14 1.25 -0.54 -5.77 2.07 -1.44 -2.29 116.25 110.68 2pru h VAL 8 Ca 0.28 -0.76 -0.03 0.00 0.82 0.00 0.00 66.70 67.00 2pru h VAL 8 Cb 0.09 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 30.18 2pru h VAL 8 CO -0.04 0.31 0.20 0.00 0.02 0.00 0.00 177.57 178.07 2pru h ALA 9 N 1.16 0.70 -0.37 1.67 0.00 0.08 -0.65 119.26 121.85 2pru h ALA 9 Ca 0.25 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 2pru h ALA 9 Cb 0.18 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2pru h ALA 9 CO -0.02 0.32 0.17 -0.07 0.00 0.00 0.00 179.25 179.65 2pru h LEU 10 N 0.73 0.50 -0.87 0.00 4.07 -0.99 -1.03 115.31 117.72 2pru h LEU 10 Ca 0.18 -0.14 -0.05 0.00 0.08 0.00 0.00 57.88 57.94 2pru h LEU 10 Cb 0.22 -0.13 -0.01 0.00 1.08 0.00 0.00 40.66 41.82 2pru h LEU 10 CO -0.01 0.50 -0.26 0.16 -1.08 0.00 0.00 178.44 177.75 2pru h ILE 11 N 0.46 0.58 0.00 1.22 3.07 -1.25 -2.88 117.51 118.71 2pru h ILE 11 Ca 0.13 -1.30 -0.21 0.00 1.55 0.00 0.00 64.86 65.03 2pru h ILE 11 Cb 0.15 1.89 -0.03 0.00 -0.27 0.00 0.00 36.82 38.55 2pru h ILE 11 CO -0.01 0.25 -1.12 -0.78 -1.05 0.00 0.00 178.15 175.44 2pru h ASP 12 N 0.00 0.00 0.55 2.16 3.58 -0.93 -3.29 116.42 118.48 2pru h ASP 12 Ca -0.00 0.00 -0.06 0.00 0.42 0.00 0.00 57.03 57.39 2pru h ASP 12 Cb 0.87 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.91 2pru h ASP 12 CO 0.03 0.88 -0.29 1.62 -2.88 0.00 0.00 179.24 178.60 2pru h VAL 13 N 0.00 0.91 -0.37 2.25 3.04 -0.96 -1.73 116.25 119.39 2pru h VAL 13 Ca -0.09 -1.13 -0.04 0.00 -1.01 0.00 0.00 66.70 64.43 2pru h VAL 13 Cb 1.75 1.67 -0.01 0.00 -2.01 0.00 0.00 31.29 32.68 2pru h VAL 13 CO 0.10 0.29 0.07 -0.26 -1.01 0.00 0.00 177.57 176.76 2pru h PHE 14 N 0.00 0.63 -0.95 3.17 0.04 -1.62 -2.53 116.94 115.68 2pru h PHE 14 Ca -0.00 -0.08 0.04 0.00 2.80 0.00 0.00 57.97 60.72 2pru h PHE 14 Cb 0.65 -0.18 -0.06 0.00 2.20 0.00 0.00 35.95 38.56 2pru h PHE 14 CO 0.00 0.64 0.62 1.25 -0.60 0.00 0.00 178.31 180.22 2pru h HIS 15 N 0.45 1.17 0.00 -0.55 2.76 -1.52 -1.14 115.15 116.31 2pru h HIS 15 Ca 0.11 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.31 2pru h HIS 15 Cb 0.34 -0.39 0.00 0.00 1.55 0.00 0.00 27.41 28.91 2pru h HIS 15 CO 0.02 0.67 0.00 1.96 -1.30 0.00 0.00 177.93 179.28 2pru h GLN 16 N 1.20 0.00 0.00 5.26 4.20 -0.93 -3.45 115.11 121.38 2pru h GLN 16 Ca 0.38 0.00 -0.19 0.00 0.06 0.00 0.00 58.65 58.91 2pru h GLN 16 Cb 0.01 0.00 0.02 0.00 0.30 0.00 0.00 27.48 27.81 2pru h GLN 16 CO -0.12 0.00 0.02 0.66 -0.67 0.00 0.00 178.83 178.71 2pru n TYR 17 N -2.37 -3.02 -1.31 2.96 4.02 -0.43 -5.08 117.16 111.94 2pru n TYR 17 Ca 0.01 -0.75 -0.30 0.00 -0.01 0.00 0.00 57.90 56.85 2pru n TYR 17 Cb 0.19 -0.26 0.11 0.00 -0.02 0.00 0.00 39.34 39.36 2pru n TYR 17 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 2pru s SER 18 N -2.53 4.06 0.00 7.72 1.04 -1.26 -4.96 113.70 117.78 2pru s SER 18 Ca 0.25 1.55 0.00 0.00 0.48 0.00 0.00 55.95 58.24 2pru s SER 18 Cb -0.02 -2.26 0.00 0.00 0.10 0.00 0.00 66.02 63.84 2pru s SER 18 CO 0.16 -2.28 0.00 0.61 0.98 0.00 0.00 173.24 172.72 2pru n GLY 19 N -1.38 3.54 0.10 7.32 0.00 -1.26 -3.50 105.19 110.01 2pru n GLY 19 Ca 0.08 -1.29 -0.13 0.00 0.00 0.00 0.00 46.02 44.67 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 0.79 0.00 1.61 0.00 -1.26 -4.29 116.66 114.00 2pru n ARG 20 Ca 0.00 0.07 0.00 0.00 -0.00 0.00 0.00 57.85 57.92 2pru n ARG 20 Cb 0.00 -1.47 0.00 0.00 -0.00 0.00 0.00 32.46 30.99 2pru n ARG 20 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 2pru n GLU 21 N -2.94 0.00 -0.09 2.89 1.02 -1.26 -4.83 120.64 115.42 2pru n GLU 21 Ca -0.36 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 56.68 2pru n GLU 21 Cb 1.02 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 32.41 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 0.49 2.00 0.62 0.00 -1.92 -2.88 103.07 101.38 2pru h GLY 22 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 47.03 2pru h GLY 22 CO 0.00 0.28 0.00 -0.55 0.00 0.00 0.00 176.54 176.27 2pru h ASP 23 N 0.30 0.00 1.50 0.19 3.32 -1.84 0.24 116.42 120.12 2pru h ASP 23 Ca 0.09 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 57.05 2pru h ASP 23 Cb 0.28 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 2pru h ASP 23 CO 0.00 0.00 -0.41 0.50 -1.72 0.00 0.00 179.24 177.61 2pru h LYS 24 N 0.00 0.00 0.00 3.56 3.64 -1.55 -2.80 116.57 119.42 2pru h LYS 24 Ca 0.00 0.00 -0.34 0.00 -1.27 0.00 0.00 60.65 59.04 2pru h LYS 24 Cb 0.81 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.57 2pru h LYS 24 CO 0.00 0.41 -2.26 0.72 -2.27 0.00 0.00 179.45 176.06 2pru n HIS 25 N -3.23 0.00 -3.96 1.91 8.25 -1.05 -4.71 115.22 112.43 2pru n HIS 25 Ca 0.02 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.17 2pru n HIS 25 Cb 0.68 -0.85 -0.14 0.00 1.12 0.00 0.00 29.99 30.80 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 -2.44 1.83 0.40 -0.41 -0.14 0.82 -4.92 119.74 114.87 2pru s LYS 26 Ca -0.30 -2.31 0.09 0.00 -1.36 0.00 0.00 55.97 52.09 2pru s LYS 26 Cb 0.08 -3.31 0.86 0.00 -1.68 0.00 0.00 37.83 33.78 2pru s LYS 26 CO 0.50 -1.05 1.99 -0.07 -0.76 0.00 0.00 175.35 175.96 2pru h LEU 27 N 7.00 0.52 -0.69 3.17 -0.00 -1.50 -3.33 115.31 120.49 2pru h LEU 27 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.82 2pru h LEU 27 Cb 0.95 -0.11 0.00 0.00 -0.00 0.00 0.00 40.66 41.50 2pru h LEU 27 CO 0.63 0.34 0.00 0.29 -0.00 0.00 0.00 178.44 179.70 2pru n LYS 28 N -4.48 0.00 0.29 1.13 4.01 -1.25 -4.51 118.16 113.35 2pru n LYS 28 Ca 0.09 0.35 0.19 0.00 -0.51 0.00 0.00 58.31 58.42 2pru n LYS 28 Cb 0.24 0.00 1.00 0.00 -0.51 0.00 0.00 35.03 35.76 2pru n LYS 28 CO 0.00 0.00 0.00 1.57 -1.11 0.00 0.00 177.40 177.86 2pru h LYS 29 N 0.00 0.00 -0.11 1.97 2.10 -1.39 0.11 116.57 119.25 2pru h LYS 29 Ca 0.00 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.59 2pru h LYS 29 Cb 0.00 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.32 2pru h LYS 29 CO 0.00 0.00 -0.19 0.77 -2.00 0.00 0.00 179.45 178.03 2pru h SER 30 N 0.00 0.17 0.45 7.07 0.02 -1.87 -2.10 113.55 117.29 2pru h SER 30 Ca 0.00 -0.04 -0.12 0.00 -0.84 0.00 0.00 61.79 60.79 2pru h SER 30 Cb 0.06 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.54 2pru h SER 30 CO 0.00 0.37 -0.52 -0.33 -1.14 0.00 0.00 176.83 175.22 2pru h GLU 31 N 0.17 0.08 -0.04 3.45 4.39 -1.00 -2.22 114.58 119.41 2pru h GLU 31 Ca 0.03 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.67 2pru h GLU 31 Cb 0.43 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.08 2pru h GLU 31 CO 0.03 0.58 -0.04 1.25 -1.16 0.00 0.00 179.01 179.68 2pru h LEU 32 N 0.07 0.05 0.08 1.33 7.12 -1.39 0.23 115.31 122.79 2pru h LEU 32 Ca -0.00 -0.00 -0.00 0.00 0.13 0.00 0.00 57.88 58.00 2pru h LEU 32 Cb 0.94 -0.01 0.00 0.00 -0.53 0.00 0.00 40.66 41.06 2pru h LEU 32 CO 0.07 0.10 -0.04 0.50 -0.13 0.00 0.00 178.44 178.94 2pru h LYS 33 N 0.05 -0.10 -0.33 1.25 3.11 -1.19 0.11 116.57 119.47 2pru h LYS 33 Ca 0.01 0.01 -0.07 0.00 -2.81 0.00 0.00 60.65 57.79 2pru h LYS 33 Cb 0.10 0.02 -0.02 0.00 -1.00 0.00 0.00 32.23 31.34 2pru h LYS 33 CO 0.01 -0.07 -0.07 0.93 -2.81 0.00 0.00 179.45 177.43 2pru h GLU 34 N -0.11 0.55 0.42 1.90 5.08 -1.37 -1.13 114.58 119.92 2pru h GLU 34 Ca -0.01 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 58.19 2pru h GLU 34 Cb 0.08 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 2pru h GLU 34 CO 0.01 0.63 -0.29 1.25 -1.00 0.00 0.00 179.01 179.62 2pru h LEU 35 N 0.52 -0.74 -1.03 1.33 7.12 -0.53 -2.64 115.31 119.34 2pru h LEU 35 Ca 0.10 0.05 -0.08 0.00 0.13 0.00 0.00 57.88 58.08 2pru h LEU 35 Cb 0.45 0.23 -0.02 0.00 -0.53 0.00 0.00 40.66 40.79 2pru h LEU 35 CO 0.02 -0.45 -0.16 0.16 -0.13 0.00 0.00 178.44 177.89 2pru h ILE 36 N -0.69 1.24 -0.75 4.05 3.07 -0.57 0.35 117.51 124.22 2pru h ILE 36 Ca -0.04 -1.10 0.17 0.00 1.55 0.00 0.00 64.86 65.44 2pru h ILE 36 Cb 0.58 1.20 -0.05 0.00 -0.27 0.00 0.00 36.82 38.29 2pru h ILE 36 CO 0.02 0.36 0.51 0.78 -1.05 0.00 0.00 178.15 178.76 2pru h ASN 37 N 0.47 0.28 0.00 2.16 -0.26 -1.02 -2.21 115.58 114.99 2pru h ASN 37 Ca 0.08 0.02 -0.37 0.00 -0.56 0.00 0.00 56.30 55.47 2pru h ASN 37 Cb 0.55 -0.04 -0.06 0.00 -1.06 0.00 0.00 38.32 37.72 2pru h ASN 37 CO 0.04 0.14 -2.24 -3.20 -1.06 0.00 0.00 177.43 171.11 2pru n ASN 38 N -4.44 1.57 0.06 5.81 5.15 -0.76 -4.61 115.26 118.02 2pru n ASN 38 Ca 0.15 0.27 -0.12 0.00 -0.60 0.00 0.00 54.58 54.27 2pru n ASN 38 Cb 0.61 -0.65 -0.13 0.00 -0.53 0.00 0.00 39.78 39.07 2pru n ASN 38 CO 0.00 0.00 0.00 -0.33 1.40 0.00 0.00 177.26 178.33 2pru h GLU 39 N -0.80 0.14 0.08 1.20 4.39 -0.40 -3.28 114.58 115.90 2pru h GLU 39 Ca -0.56 -0.23 -0.00 0.00 0.34 0.00 0.00 59.36 58.90 2pru h GLU 39 Cb 1.49 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 30.23 2pru h GLU 39 CO -0.34 1.01 -0.04 1.25 -1.16 0.00 0.00 179.01 179.73 2pru h LEU 40 N 0.04 -0.09 -3.61 1.33 6.46 -1.51 -3.36 115.31 114.57 2pru h LEU 40 Ca -0.15 0.00 -0.42 0.00 -0.12 0.00 0.00 57.88 57.19 2pru h LEU 40 Cb 1.93 0.02 -0.18 0.00 -0.73 0.00 0.00 40.66 41.70 2pru h LEU 40 CO 0.15 0.05 0.55 -1.54 -0.62 0.00 0.00 178.44 177.02 2pru n SER 41 N -2.90 6.64 -4.56 1.25 3.41 -1.19 -4.77 113.62 111.50 2pru n SER 41 Ca -0.01 -3.27 -0.36 0.00 -0.26 0.00 0.00 58.87 54.97 2pru n SER 41 Cb 0.04 -1.01 -0.04 0.00 -0.26 0.00 0.00 64.21 62.94 2pru n SER 41 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 2pru s HIS 42 N -2.40 2.26 -2.13 7.33 2.46 -1.24 -3.71 115.29 117.86 2pru s HIS 42 Ca 0.41 -0.29 0.00 0.00 0.47 0.00 0.00 55.06 55.65 2pru s HIS 42 Cb 0.32 -4.46 0.00 0.00 -0.13 0.00 0.00 32.58 28.31 2pru s HIS 42 CO -0.00 -1.88 0.00 1.19 -2.47 0.00 0.00 174.74 171.57 2pru n PHE 43 N 10.71 -0.20 -3.15 3.88 3.72 -1.26 -4.84 117.46 126.32 2pru n PHE 43 Ca 0.34 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.56 2pru n PHE 43 Cb 0.50 -3.57 -0.06 0.00 -0.94 0.00 0.00 39.48 35.40 2pru n PHE 43 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 176.76 176.60 2pru n LEU 44 N -2.50 -1.54 0.00 4.37 7.94 -1.24 -5.05 117.00 118.98 2pru n LEU 44 Ca -0.22 -3.87 0.00 0.00 -1.11 0.00 0.00 56.01 50.82 2pru n LEU 44 Cb 0.69 0.63 0.00 0.00 0.53 0.00 0.00 43.42 45.27 2pru n LEU 44 CO 0.31 1.90 0.00 -0.62 -1.11 0.00 0.00 177.39 177.87 2pru n GLU 45 N 2.77 0.00 -2.01 1.96 1.02 -1.26 -4.17 120.64 118.94 2pru n GLU 45 Ca 0.25 0.00 -0.40 0.00 -0.02 0.00 0.00 57.16 56.99 2pru n GLU 45 Cb 0.51 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.91 2pru n GLU 45 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 2pru s GLU 46 N 0.00 2.84 0.00 3.49 1.03 -1.26 -4.68 118.70 120.12 2pru s GLU 46 Ca 0.00 0.92 0.00 0.00 0.03 0.00 0.00 54.97 55.92 2pru s GLU 46 Cb 0.00 -4.33 0.00 0.00 -0.80 0.00 0.00 34.13 29.00 2pru s GLU 46 CO 0.00 -2.46 0.00 -0.89 -1.33 0.00 0.00 175.26 170.58 2pru n ILE 47 N 7.31 0.00 -1.90 1.83 5.41 -1.26 -5.02 119.36 125.74 2pru n ILE 47 Ca 0.22 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.97 2pru n ILE 47 Cb 0.50 -0.12 0.00 0.00 -0.71 0.00 0.00 39.64 39.31 2pru n ILE 47 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 2pru n LYS 48 N -1.19 0.00 -0.08 0.38 4.76 -1.26 -4.93 118.16 115.84 2pru n LYS 48 Ca 0.00 -0.21 -0.15 0.00 -2.87 0.00 0.00 58.31 55.08 2pru n LYS 48 Cb 0.00 -0.13 -0.14 0.00 -1.84 0.00 0.00 35.03 32.92 2pru n LYS 48 CO 0.00 0.00 0.00 -0.85 -1.37 0.00 0.00 177.40 175.18 2pru n GLU 49 N 0.00 0.68 -0.19 1.97 -0.00 -1.24 -4.50 120.64 117.36 2pru n GLU 49 Ca 0.00 0.14 0.15 0.00 -0.00 0.00 0.00 57.16 57.45 2pru n GLU 49 Cb 0.53 -1.59 0.47 0.00 -0.00 0.00 0.00 31.44 30.86 2pru n GLU 49 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.13 176.57 2pru h GLN 50 N 0.01 0.47 -0.08 3.44 3.07 -1.88 0.63 115.11 120.77 2pru h GLN 50 Ca -0.51 -0.03 -0.01 0.00 0.09 0.00 0.00 58.65 58.20 2pru h GLN 50 Cb 2.04 -0.11 -0.00 0.00 0.08 0.00 0.00 27.48 29.49 2pru h GLN 50 CO -0.00 0.31 0.03 0.93 0.09 0.00 0.00 178.83 180.19 2pru h GLU 51 N 0.49 0.12 -0.16 0.06 5.08 -1.98 -2.65 114.58 115.54 2pru h GLU 51 Ca 0.39 -0.02 -0.13 0.00 -1.00 0.00 0.00 59.36 58.60 2pru h GLU 51 Cb 0.82 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.04 2pru h GLU 51 CO -0.14 0.26 -0.46 0.28 -1.00 0.00 0.00 179.01 177.94 2pru h VAL 52 N -0.04 1.32 -0.80 3.13 2.07 -0.93 -3.00 116.25 118.00 2pru h VAL 52 Ca 0.03 -1.67 0.05 0.00 0.82 0.00 0.00 66.70 65.93 2pru h VAL 52 Cb 0.18 1.71 -0.05 0.00 -1.52 0.00 0.00 31.29 31.60 2pru h VAL 52 CO -0.00 0.51 0.50 0.58 0.02 0.00 0.00 177.57 179.17 2pru h VAL 53 N 0.33 1.07 -0.35 2.57 2.07 0.32 0.59 116.25 122.84 2pru h VAL 53 Ca 0.02 -0.32 -0.13 0.00 0.82 0.00 0.00 66.70 67.09 2pru h VAL 53 Cb 0.95 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 2pru h VAL 53 CO 0.08 0.17 -0.32 -0.78 0.02 0.00 0.00 177.57 176.74 2pru h ASP 54 N 0.93 0.81 -0.48 0.57 3.58 -1.34 0.37 116.42 120.87 2pru h ASP 54 Ca 0.34 -0.34 -0.10 0.00 0.42 0.00 0.00 57.03 57.35 2pru h ASP 54 Cb 0.10 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 40.91 2pru h ASP 54 CO -0.15 1.07 -0.06 0.11 -2.88 0.00 0.00 179.24 177.33 2pru h LYS 55 N 0.66 0.93 -0.35 0.28 1.57 -1.23 -0.80 116.57 117.62 2pru h LYS 55 Ca 0.07 -0.30 -0.01 0.00 -1.87 0.00 0.00 60.65 58.53 2pru h LYS 55 Cb 0.86 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 33.07 2pru h LYS 55 CO 0.08 0.96 0.16 0.28 -0.57 0.00 0.00 179.45 180.35 2pru h VAL 56 N 0.84 1.17 0.00 0.50 2.07 0.52 -0.83 116.25 120.52 2pru h VAL 56 Ca 0.15 -0.50 -0.04 0.00 0.82 0.00 0.00 66.70 67.13 2pru h VAL 56 Cb 0.58 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 2pru h VAL 56 CO 0.04 0.18 -0.18 0.24 0.02 0.00 0.00 177.57 177.87 2pru h MET 57 N 0.43 0.00 0.38 1.57 2.86 0.21 0.28 114.93 120.66 2pru h MET 57 Ca 0.12 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.74 2pru h MET 57 Cb 0.14 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.80 2pru h MET 57 CO -0.01 0.18 -0.18 1.49 1.06 0.00 0.00 176.91 179.44 2pru h GLU 58 N 0.00 -0.50 -0.66 1.72 4.81 -0.89 -3.26 114.58 115.81 2pru h GLU 58 Ca -0.00 0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.26 2pru h GLU 58 Cb 0.35 0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.81 2pru h GLU 58 CO 0.02 -0.33 0.39 1.79 -0.73 0.00 0.00 179.01 180.15 2pru h THR 59 N -1.02 1.19 -0.46 0.32 1.35 -0.90 0.16 112.91 113.55 2pru h THR 59 Ca -0.05 -0.43 0.09 0.00 -0.55 0.00 0.00 66.41 65.47 2pru h THR 59 Cb 0.40 0.29 -0.08 0.00 -1.73 0.00 0.00 68.15 67.03 2pru h THR 59 CO 0.09 0.20 -0.07 0.25 -0.25 0.00 0.00 175.52 175.74 2pru h LEU 60 N 0.89 -0.34 0.17 3.87 5.85 -0.60 0.15 115.31 125.30 2pru h LEU 60 Ca 0.23 0.13 -0.33 0.00 0.84 0.00 0.00 57.88 58.75 2pru h LEU 60 Cb -0.02 0.25 0.01 0.00 0.37 0.00 0.00 40.66 41.27 2pru h LEU 60 CO -0.04 -0.12 -1.59 -0.78 -0.34 0.00 0.00 178.44 175.57 2pru h ASP 61 N 0.04 0.58 -0.03 1.25 3.58 -1.53 -3.13 116.42 117.17 2pru h ASP 61 Ca 0.23 -0.76 -0.00 0.00 0.42 0.00 0.00 57.03 56.91 2pru h ASP 61 Cb 0.35 -0.19 -0.00 0.00 1.72 0.00 0.00 39.33 41.21 2pru h ASP 61 CO -0.44 1.62 0.01 -1.13 -2.88 0.00 0.00 179.24 176.42 2pru h ASN 62 N 0.10 0.06 0.73 2.28 -0.73 -0.41 -3.31 115.58 114.30 2pru h ASN 62 Ca -0.28 -0.26 -0.04 0.00 1.87 0.00 0.00 56.30 57.60 2pru h ASN 62 Cb 2.08 -0.01 0.01 0.00 0.27 0.00 0.00 38.32 40.66 2pru h ASN 62 CO 0.20 0.30 -0.35 -0.78 -0.37 0.00 0.00 177.43 176.42 2pru h ASP 63 N -0.19 -0.83 -5.74 1.15 1.82 -0.87 -3.49 116.42 108.28 2pru h ASP 63 Ca 0.01 0.03 -0.13 0.00 -0.39 0.00 0.00 57.03 56.55 2pru h ASP 63 Cb 0.27 0.21 0.01 0.00 0.68 0.00 0.00 39.33 40.50 2pru h ASP 63 CO 0.00 -0.52 -0.79 0.61 -1.61 0.00 0.00 179.24 176.93 2pru n GLY 64 N -1.01 -0.96 0.25 -0.78 0.00 -1.18 -4.89 105.19 96.62 2pru n GLY 64 Ca -0.12 1.14 0.14 0.00 0.00 0.00 0.00 46.02 47.18 2pru n GLY 64 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2pru h ASP 65 N 2.15 0.00 0.00 1.61 3.32 -1.94 -3.46 116.42 118.11 2pru h ASP 65 Ca -0.19 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.86 2pru h ASP 65 Cb 1.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.63 2pru h ASP 65 CO 0.20 0.11 0.00 0.61 -1.72 0.00 0.00 179.24 178.44 2pru n GLY 66 N -0.03 0.75 1.83 2.75 0.00 -1.26 -4.99 105.19 104.23 2pru n GLY 66 Ca -0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 2pru n GLY 66 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2pru n GLU 67 N -2.30 0.42 -3.54 1.61 0.28 -1.26 -4.55 120.64 111.29 2pru n GLU 67 Ca 0.00 -1.43 -0.11 0.00 -0.16 0.00 0.00 57.16 55.46 2pru n GLU 67 Cb 0.00 1.44 -0.03 0.00 1.43 0.00 0.00 31.44 34.28 2pru n GLU 67 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2pru s ASP 69 N -2.79 0.11 0.50 0.00 2.15 -1.26 -3.35 116.67 112.03 2pru s ASP 69 Ca 0.03 -1.18 0.15 0.00 0.43 0.00 0.00 52.55 51.99 2pru s ASP 69 Cb -0.01 0.50 1.20 0.00 -0.30 0.00 0.00 42.92 44.32 2pru s ASP 69 CO -0.10 -1.02 2.12 2.19 -0.17 0.00 0.00 175.17 178.18 2pru h PHE 70 N 2.40 0.02 -0.79 -5.34 -5.15 -1.96 -0.40 116.94 105.72 2pru h PHE 70 Ca -0.30 0.00 -0.04 0.00 -0.20 0.00 0.00 57.97 57.43 2pru h PHE 70 Cb 1.25 -0.01 -0.04 0.00 0.22 0.00 0.00 35.95 37.38 2pru h PHE 70 CO 0.48 0.05 0.33 1.96 -2.00 0.00 0.00 178.31 179.13 2pru h GLN 71 N 0.02 1.17 -0.05 6.09 4.20 -1.99 -0.93 115.11 123.62 2pru h GLN 71 Ca 0.01 -0.20 -0.25 0.00 0.06 0.00 0.00 58.65 58.27 2pru h GLN 71 Cb 0.06 -0.20 0.02 0.00 0.30 0.00 0.00 27.48 27.66 2pru h GLN 71 CO 0.00 0.93 -0.95 0.93 -0.67 0.00 0.00 178.83 179.08 2pru h GLU 72 N 1.14 0.73 -0.52 1.46 5.08 -1.50 0.41 114.58 121.38 2pru h GLU 72 Ca 0.27 -0.71 0.07 0.00 -1.00 0.00 0.00 59.36 57.99 2pru h GLU 72 Cb 0.19 0.18 -0.06 0.00 0.50 0.00 0.00 28.75 29.56 2pru h GLU 72 CO -0.03 1.29 0.18 0.74 -1.00 0.00 0.00 179.01 180.20 2pru h PHE 73 N 0.44 0.32 0.21 4.33 -1.00 -1.19 0.81 116.94 120.86 2pru h PHE 73 Ca -0.10 0.03 -0.01 0.00 2.81 0.00 0.00 57.97 60.70 2pru h PHE 73 Cb 1.59 -0.06 0.00 0.00 3.61 0.00 0.00 35.95 41.09 2pru h PHE 73 CO 0.10 0.09 -0.10 1.98 -1.61 0.00 0.00 178.31 178.77 2pru h MET 74 N 0.36 -0.28 0.53 1.51 4.05 -1.09 -3.23 114.93 116.78 2pru h MET 74 Ca 0.25 0.02 -0.02 0.00 -0.28 0.00 0.00 59.70 59.68 2pru h MET 74 Cb 0.28 0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 31.12 2pru h MET 74 CO -0.26 -0.05 -0.48 0.00 0.23 0.00 0.00 176.91 176.35 2pru h ALA 75 N 0.28 -1.10 -0.24 0.39 0.00 -0.38 -1.47 119.26 116.74 2pru h ALA 75 Ca -0.03 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2pru h ALA 75 Cb 0.35 0.67 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 2pru h ALA 75 CO 0.05 -1.15 0.16 0.74 0.00 0.00 0.00 179.25 179.04 2pru h PHE 76 N -1.00 0.30 -0.08 0.00 0.04 -0.98 0.26 116.94 115.48 2pru h PHE 76 Ca -0.06 0.01 -0.19 0.00 2.80 0.00 0.00 57.97 60.52 2pru h PHE 76 Cb 0.86 -0.10 -0.00 0.00 2.20 0.00 0.00 35.95 38.91 2pru h PHE 76 CO -0.22 0.19 -0.76 -0.24 -0.60 0.00 0.00 178.31 176.68 2pru h VAL 77 N 0.32 1.36 0.00 -0.55 3.04 -1.59 -2.62 116.25 116.22 2pru h VAL 77 Ca 0.09 -2.15 -0.14 0.00 -1.01 0.00 0.00 66.70 63.49 2pru h VAL 77 Cb -0.04 2.12 -0.02 0.00 -2.01 0.00 0.00 31.29 31.35 2pru h VAL 77 CO -0.02 0.65 -0.68 0.00 -1.01 0.00 0.00 177.57 176.51 2pru h ALA 78 N 0.85 0.66 -0.03 3.17 0.00 -1.01 -1.80 119.26 121.10 2pru h ALA 78 Ca -0.04 -0.62 -0.19 0.00 0.00 0.00 0.00 54.91 54.06 2pru h ALA 78 Cb 1.35 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 2pru h ALA 78 CO 0.14 0.85 -0.81 0.00 0.00 0.00 0.00 179.25 179.42 2pru h MET 79 N 0.00 0.33 0.02 0.00 3.00 -0.45 0.46 114.93 118.28 2pru h MET 79 Ca -0.01 -0.31 -0.09 0.00 0.00 0.00 0.00 59.70 59.29 2pru h MET 79 Cb 1.39 0.08 0.01 0.00 0.00 0.00 0.00 31.60 33.08 2pru h MET 79 CO 0.09 0.98 -0.38 -0.39 0.00 0.00 0.00 176.91 177.21 2pru h VAL 80 N 0.20 1.54 0.13 -0.10 -1.51 -1.41 -3.14 116.25 111.95 2pru h VAL 80 Ca -0.04 -2.08 -0.32 0.00 -1.23 0.00 0.00 66.70 63.02 2pru h VAL 80 Cb 1.41 2.84 -0.01 0.00 -2.13 0.00 0.00 31.29 33.40 2pru h VAL 80 CO 0.13 0.58 -1.66 0.74 -1.23 0.00 0.00 177.57 176.13 2pru h THR 81 N -0.44 1.00 0.00 7.19 2.02 -1.43 -3.29 112.91 117.98 2pru h THR 81 Ca -0.05 -2.66 -0.10 0.00 0.77 0.00 0.00 66.41 64.37 2pru h THR 81 Cb 1.16 2.70 -0.02 0.00 -1.74 0.00 0.00 68.15 70.25 2pru h THR 81 CO 0.07 0.81 -1.06 0.41 0.37 0.00 0.00 175.52 176.13 2pru n THR 82 N -3.46 1.08 0.17 3.16 -1.04 0.36 -4.43 114.28 110.12 2pru n THR 82 Ca -0.21 0.07 -0.17 0.00 -2.04 0.00 0.00 64.05 61.70 2pru n THR 82 Cb 1.05 -1.83 -0.10 0.00 -1.82 0.00 0.00 70.33 67.63 2pru n THR 82 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2pru h ALA 83 N -0.49 -1.02 0.00 2.41 0.00 -0.27 0.68 119.26 120.57 2pru h ALA 83 Ca -0.16 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2pru h ALA 83 Cb 0.85 0.83 0.00 0.00 0.00 0.00 0.00 17.79 19.48 2pru h ALA 83 CO -0.09 -1.13 0.00 0.00 0.00 0.00 0.00 179.25 178.02 2pru h HIS 85 N 0.00 0.00 -1.68 0.00 6.17 -1.63 -3.51 115.15 114.51 2pru h HIS 85 Ca 0.00 0.00 0.10 0.00 0.71 0.00 0.00 60.37 61.18 2pru h HIS 85 Cb 0.72 0.00 -0.05 0.00 2.52 0.00 0.00 27.41 30.60 2pru h HIS 85 CO 0.00 0.44 -0.54 -1.91 0.71 0.00 0.00 177.93 176.63 2pru n GLU 86 N -2.92 -1.70 0.13 5.26 0.00 0.23 -3.69 120.64 117.95 2pru n GLU 86 Ca -0.05 1.36 0.12 0.00 0.00 0.00 0.00 57.16 58.59 2pru n GLU 86 Cb 0.76 -1.84 0.47 0.00 0.00 0.00 0.00 31.44 30.83 2pru n GLU 86 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32 2pru n PHE 87 N -2.67 0.89 -0.02 4.31 3.72 -1.26 -1.86 117.46 120.56 2pru n PHE 87 Ca -0.03 0.32 -0.11 0.00 -0.05 0.00 0.00 57.45 57.58 2pru n PHE 87 Cb 0.28 -1.01 -0.05 0.00 -0.94 0.00 0.00 39.48 37.76 2pru n PHE 87 CO 0.00 0.00 0.00 0.35 -0.05 0.00 0.00 176.76 177.06 2pru h PHE 88 N 0.00 0.19 0.00 1.38 3.57 -1.91 -1.12 116.94 119.05 2pru h PHE 88 Ca 0.00 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.49 2pru h PHE 88 Cb 0.50 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.18 2pru h PHE 88 CO 0.00 0.21 -0.71 0.93 -2.23 0.00 0.00 178.31 176.51 2pru h GLU 89 N 0.11 0.00 0.00 1.11 5.08 -1.57 -3.40 114.58 115.90 2pru h GLU 89 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 2pru h GLU 89 Cb 0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.34 2pru h GLU 89 CO -0.01 0.00 0.00 1.58 -1.00 0.00 0.00 179.01 179.58 2pru n HIS 90 N -2.32 0.00 0.00 4.33 -0.00 -0.78 -5.05 115.22 111.40 2pru n HIS 90 Ca 0.02 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.20 2pru n HIS 90 Cb 0.48 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.35 2pru n HIS 90 CO 0.00 0.00 0.00 -1.91 0.46 0.00 0.00 176.34 174.89