#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 0.18 0.00 1.43 4.57 -2.05 -2.01 114.58 116.70 2pru h GLU 2 Ca 0.00 -0.16 -0.22 0.00 -1.18 0.00 0.00 59.36 57.81 2pru h GLU 2 Cb 0.00 0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 28.59 2pru h GLU 2 CO 0.00 0.82 -1.06 1.25 -1.18 0.00 0.00 179.01 178.85 2pru h LEU 3 N -0.41 0.00 -0.06 1.64 7.12 -2.06 -3.08 115.31 118.45 2pru h LEU 3 Ca -0.01 0.00 0.03 0.00 0.13 0.00 0.00 57.88 58.03 2pru h LEU 3 Cb 0.87 0.00 -0.04 0.00 -0.53 0.00 0.00 40.66 40.96 2pru h LEU 3 CO 0.04 0.99 -0.15 -0.08 -0.13 0.00 0.00 178.44 179.11 2pru h GLU 4 N 0.00 -0.21 0.00 1.25 4.81 -2.01 -1.67 114.58 116.75 2pru h GLU 4 Ca -0.03 0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.15 2pru h GLU 4 Cb 1.79 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 31.20 2pru h GLU 4 CO 0.12 -0.14 -0.28 1.57 -0.73 0.00 0.00 179.01 179.55 2pru h LYS 5 N -0.21 0.00 0.20 1.92 2.10 -1.38 -3.10 116.57 116.09 2pru h LYS 5 Ca 0.07 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.71 2pru h LYS 5 Cb 0.31 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.64 2pru h LYS 5 CO -0.19 0.28 -0.09 0.00 -2.00 0.00 0.00 179.45 177.45 2pru h ALA 6 N 1.72 -0.26 -0.93 0.07 0.00 -1.24 -0.88 119.26 117.73 2pru h ALA 6 Ca -0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 2pru h ALA 6 Cb 0.63 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.48 2pru h ALA 6 CO 0.04 -0.46 0.54 1.98 0.00 0.00 0.00 179.25 181.35 2pru h MET 7 N -0.64 1.27 -0.78 0.00 1.85 -1.35 -0.82 114.93 114.46 2pru h MET 7 Ca -0.03 -0.13 -0.04 0.00 -0.61 0.00 0.00 59.70 58.90 2pru h MET 7 Cb 0.46 -0.26 -0.03 0.00 0.43 0.00 0.00 31.60 32.20 2pru h MET 7 CO 0.04 0.90 0.33 0.28 -0.40 0.00 0.00 176.91 178.06 2pru h VAL 8 N 1.28 1.25 -0.58 -5.77 2.07 -1.53 -2.21 116.25 110.77 2pru h VAL 8 Ca 0.33 -0.78 -0.04 0.00 0.82 0.00 0.00 66.70 67.03 2pru h VAL 8 Cb -0.03 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 30.03 2pru h VAL 8 CO -0.06 0.32 0.21 0.00 0.02 0.00 0.00 177.57 178.06 2pru h ALA 9 N 1.17 0.75 -0.29 1.67 0.00 0.18 -0.68 119.26 122.07 2pru h ALA 9 Ca 0.26 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2pru h ALA 9 Cb 0.19 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2pru h ALA 9 CO -0.02 0.39 0.12 -0.07 0.00 0.00 0.00 179.25 179.67 2pru h LEU 10 N 0.80 0.39 -1.00 0.00 4.07 -0.95 -1.18 115.31 117.43 2pru h LEU 10 Ca 0.19 -0.15 -0.05 0.00 0.08 0.00 0.00 57.88 57.95 2pru h LEU 10 Cb 0.24 -0.10 -0.01 0.00 1.08 0.00 0.00 40.66 41.88 2pru h LEU 10 CO -0.01 0.43 -0.24 0.16 -1.08 0.00 0.00 178.44 177.69 2pru h ILE 11 N 0.32 0.57 0.00 1.22 3.07 -1.23 -2.74 117.51 118.72 2pru h ILE 11 Ca 0.10 -1.20 -0.19 0.00 1.55 0.00 0.00 64.86 65.11 2pru h ILE 11 Cb 0.16 1.82 -0.03 0.00 -0.27 0.00 0.00 36.82 38.50 2pru h ILE 11 CO -0.01 0.24 -1.06 -0.78 -1.05 0.00 0.00 178.15 175.49 2pru h ASP 12 N 0.00 0.00 0.61 2.16 1.82 -0.97 -3.29 116.42 116.75 2pru h ASP 12 Ca -0.00 0.00 -0.06 0.00 -0.39 0.00 0.00 57.03 56.58 2pru h ASP 12 Cb 0.80 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.80 2pru h ASP 12 CO 0.03 0.80 -0.26 1.62 -1.61 0.00 0.00 179.24 179.82 2pru h VAL 13 N 0.00 0.79 -0.35 2.25 3.04 -0.90 -1.68 116.25 119.40 2pru h VAL 13 Ca -0.08 -1.08 -0.05 0.00 -1.01 0.00 0.00 66.70 64.48 2pru h VAL 13 Cb 1.68 1.66 -0.01 0.00 -2.01 0.00 0.00 31.29 32.61 2pru h VAL 13 CO 0.09 0.26 0.03 -0.26 -1.01 0.00 0.00 177.57 176.68 2pru h PHE 14 N 0.00 0.64 -0.94 3.17 0.04 -1.62 -2.51 116.94 115.72 2pru h PHE 14 Ca -0.00 -0.10 0.03 0.00 2.80 0.00 0.00 57.97 60.70 2pru h PHE 14 Cb 0.64 -0.17 -0.05 0.00 2.20 0.00 0.00 35.95 38.57 2pru h PHE 14 CO 0.00 0.68 0.62 1.25 -0.60 0.00 0.00 178.31 180.26 2pru h HIS 15 N 0.42 1.16 0.00 -0.55 2.76 -1.52 -1.16 115.15 116.26 2pru h HIS 15 Ca 0.10 0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.28 2pru h HIS 15 Cb 0.40 -0.39 -0.00 0.00 1.55 0.00 0.00 27.41 28.97 2pru h HIS 15 CO 0.03 0.69 -0.09 1.96 -1.30 0.00 0.00 177.93 179.22 2pru h GLN 16 N 1.21 0.00 0.00 5.26 4.20 -0.93 -3.45 115.11 121.40 2pru h GLN 16 Ca 0.37 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.96 2pru h GLN 16 Cb -0.03 0.00 0.02 0.00 0.30 0.00 0.00 27.48 27.78 2pru h GLN 16 CO -0.10 0.09 0.04 0.66 -0.67 0.00 0.00 178.83 178.84 2pru n TYR 17 N -3.44 -3.37 -1.42 2.96 4.02 -0.44 -5.08 117.16 110.39 2pru n TYR 17 Ca -0.01 -0.43 -0.29 0.00 -0.01 0.00 0.00 57.90 57.16 2pru n TYR 17 Cb 0.24 -0.20 0.13 0.00 -0.02 0.00 0.00 39.34 39.50 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 -2.07 3.55 0.00 7.72 1.04 -1.26 -4.97 113.70 117.72 2pru s SER 18 Ca 0.17 1.16 0.00 0.00 0.48 0.00 0.00 55.95 57.77 2pru s SER 18 Cb -0.01 -1.81 0.00 0.00 0.10 0.00 0.00 66.02 64.30 2pru s SER 18 CO 0.12 -2.55 0.00 0.61 0.98 0.00 0.00 173.24 172.40 2pru n GLY 19 N -1.80 2.89 0.11 7.32 0.00 -1.26 -3.56 105.19 108.89 2pru n GLY 19 Ca 0.06 -1.29 -0.14 0.00 0.00 0.00 0.00 46.02 44.66 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 1.28 0.67 0.00 1.61 0.00 -1.26 -4.25 116.66 114.72 2pru n ARG 20 Ca 0.00 0.06 0.00 0.00 -0.00 0.00 0.00 57.85 57.91 2pru n ARG 20 Cb 0.00 -1.52 0.00 0.00 -0.00 0.00 0.00 32.46 30.94 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 -2.98 0.00 -0.20 2.89 1.02 -1.26 -4.82 120.64 115.28 2pru n GLU 21 Ca -0.39 0.00 -0.07 0.00 -0.02 0.00 0.00 57.16 56.68 2pru n GLU 21 Cb 1.08 0.00 0.03 0.00 -0.02 0.00 0.00 31.44 32.53 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 0.90 1.80 0.62 0.00 -1.92 -2.57 103.07 101.91 2pru h GLY 22 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 47.33 46.86 2pru h GLY 22 CO 0.00 0.44 -0.15 1.22 0.00 0.00 0.00 176.54 178.06 2pru n ASP 23 N -4.52 0.79 0.18 0.19 9.92 -1.25 -0.68 116.55 121.17 2pru n ASP 23 Ca 0.03 0.47 0.09 0.00 -0.53 0.00 0.00 54.79 54.85 2pru n ASP 23 Cb 0.14 -0.57 0.10 0.00 -0.64 0.00 0.00 41.12 40.15 2pru n ASP 23 CO 0.00 0.00 0.00 0.50 0.13 0.00 0.00 177.20 177.83 2pru h LYS 24 N 0.00 0.00 0.00 -1.24 3.64 -1.51 -2.86 116.57 114.60 2pru h LYS 24 Ca 0.00 0.00 -0.31 0.00 -1.27 0.00 0.00 60.65 59.07 2pru h LYS 24 Cb 0.74 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.50 2pru h LYS 24 CO 0.00 0.14 -2.16 0.72 -2.27 0.00 0.00 179.45 175.88 2pru n HIS 25 N -3.06 0.00 -3.94 1.91 8.25 -1.14 -4.68 115.22 112.56 2pru n HIS 25 Ca 0.02 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.17 2pru n HIS 25 Cb 0.60 -0.78 -0.14 0.00 1.12 0.00 0.00 29.99 30.79 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 -2.40 1.84 0.38 -0.41 -0.14 0.14 -4.92 119.74 114.23 2pru s LYS 26 Ca -0.28 -2.24 0.07 0.00 -1.36 0.00 0.00 55.97 52.16 2pru s LYS 26 Cb 0.08 -3.35 0.78 0.00 -1.68 0.00 0.00 37.83 33.66 2pru s LYS 26 CO 0.45 -1.05 1.98 -0.07 -0.76 0.00 0.00 175.35 175.91 2pru h LEU 27 N 7.15 0.61 -0.25 3.17 -0.00 -1.46 -3.33 115.31 121.20 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 0.96 -0.13 0.00 0.00 -0.00 0.00 0.00 40.66 41.49 2pru h LEU 27 CO 0.63 0.41 0.00 0.29 -0.00 0.00 0.00 178.44 179.76 2pru n LYS 28 N -4.47 0.00 0.27 1.13 4.01 -1.25 -4.56 118.16 113.28 2pru n LYS 28 Ca 0.09 0.13 0.18 0.00 -0.51 0.00 0.00 58.31 58.20 2pru n LYS 28 Cb 0.20 0.00 0.87 0.00 -0.51 0.00 0.00 35.03 35.59 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 0.00 1.97 2.10 -1.58 0.67 116.57 119.72 2pru h LYS 29 Ca 0.00 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.61 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 -0.17 0.77 -2.00 0.00 0.00 179.45 178.05 2pru h SER 30 N 0.00 0.00 0.47 7.07 0.02 -1.87 -1.81 113.55 117.43 2pru h SER 30 Ca 0.00 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.79 2pru h SER 30 Cb 0.21 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.74 2pru h SER 30 CO 0.00 0.17 -0.69 -0.33 -1.14 0.00 0.00 176.83 174.84 2pru h GLU 31 N 0.00 0.19 0.00 3.45 4.39 -1.10 -2.80 114.58 118.71 2pru h GLU 31 Ca -0.00 -0.16 -0.00 0.00 0.34 0.00 0.00 59.36 59.54 2pru h GLU 31 Cb 0.33 0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 29.01 2pru h GLU 31 CO 0.02 0.81 -0.01 1.25 -1.16 0.00 0.00 179.01 179.92 2pru h LEU 32 N 0.13 0.00 0.15 1.33 7.12 -1.33 0.32 115.31 123.03 2pru h LEU 32 Ca -0.02 0.00 -0.00 0.00 0.13 0.00 0.00 57.88 57.99 2pru h LEU 32 Cb 1.23 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 41.36 2pru h LEU 32 CO 0.10 0.01 -0.09 0.50 -0.13 0.00 0.00 178.44 178.84 2pru h LYS 33 N 0.00 -0.23 0.00 1.25 3.11 -1.26 0.16 116.57 119.60 2pru h LYS 33 Ca -0.00 0.02 -0.08 0.00 -2.81 0.00 0.00 60.65 57.78 2pru h LYS 33 Cb 0.02 0.05 -0.01 0.00 -1.00 0.00 0.00 32.23 31.30 2pru h LYS 33 CO 0.00 -0.15 -0.37 0.93 -2.81 0.00 0.00 179.45 177.05 2pru h GLU 34 N -0.24 0.00 0.52 1.90 5.08 -1.36 -1.20 114.58 119.28 2pru h GLU 34 Ca -0.01 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 2pru h GLU 34 Cb 0.20 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.45 2pru h GLU 34 CO 0.02 0.37 -0.25 1.25 -1.00 0.00 0.00 179.01 179.39 2pru h LEU 35 N 0.00 -0.60 -1.09 1.33 7.12 -0.51 -2.86 115.31 118.71 2pru h LEU 35 Ca -0.00 -0.02 -0.06 0.00 0.13 0.00 0.00 57.88 57.92 2pru h LEU 35 Cb 0.67 0.15 -0.02 0.00 -0.53 0.00 0.00 40.66 40.93 2pru h LEU 35 CO 0.05 -0.36 -0.05 0.16 -0.13 0.00 0.00 178.44 178.10 2pru h ILE 36 N -0.79 1.22 -0.93 4.05 3.07 -0.47 0.28 117.51 123.95 2pru h ILE 36 Ca -0.07 -0.94 0.17 0.00 1.55 0.00 0.00 64.86 65.57 2pru h ILE 36 Cb 0.58 1.00 -0.08 0.00 -0.27 0.00 0.00 36.82 38.05 2pru h ILE 36 CO 0.12 0.32 0.59 0.78 -1.05 0.00 0.00 178.15 178.91 2pru h ASN 37 N 0.55 0.64 0.00 2.16 -0.26 -1.17 -1.91 115.58 115.59 2pru h ASN 37 Ca 0.11 0.05 -0.40 0.00 -0.56 0.00 0.00 56.30 55.50 2pru h ASN 37 Cb 0.43 -0.07 -0.07 0.00 -1.06 0.00 0.00 38.32 37.55 2pru h ASN 37 CO 0.02 0.29 -2.42 -3.20 -1.06 0.00 0.00 177.43 171.05 2pru n ASN 38 N -4.59 1.97 0.04 5.81 5.15 -0.82 -4.50 115.26 118.32 2pru n ASN 38 Ca 0.19 0.10 -0.15 0.00 -0.60 0.00 0.00 54.58 54.12 2pru n ASN 38 Cb 0.54 -0.58 -0.14 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 -0.48 0.20 0.12 1.20 4.39 -0.52 -3.30 114.58 116.19 2pru h GLU 39 Ca -0.61 -0.33 -0.01 0.00 0.34 0.00 0.00 59.36 58.75 2pru h GLU 39 Cb 1.71 0.12 0.00 0.00 -0.10 0.00 0.00 28.75 30.49 2pru h GLU 39 CO -0.25 1.02 -0.06 1.25 -1.16 0.00 0.00 179.01 179.81 2pru h LEU 40 N 0.05 -0.14 -3.52 1.33 6.46 -1.46 -3.35 115.31 114.68 2pru h LEU 40 Ca -0.26 0.00 -0.39 0.00 -0.12 0.00 0.00 57.88 57.12 2pru h LEU 40 Cb 2.00 0.04 -0.18 0.00 -0.73 0.00 0.00 40.66 41.79 2pru h LEU 40 CO 0.14 0.09 0.50 -1.54 -0.62 0.00 0.00 178.44 177.02 2pru n SER 41 N -3.54 6.06 -4.56 1.25 3.41 -1.17 -4.76 113.62 110.30 2pru n SER 41 Ca -0.02 -3.19 -0.35 0.00 -0.26 0.00 0.00 58.87 55.05 2pru n SER 41 Cb 0.07 -0.97 -0.04 0.00 -0.26 0.00 0.00 64.21 63.01 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 -2.25 2.26 -1.45 7.33 2.46 -1.24 -3.70 115.29 118.70 2pru s HIS 42 Ca 0.38 -0.32 0.00 0.00 0.47 0.00 0.00 55.06 55.60 2pru s HIS 42 Cb 0.31 -4.43 0.00 0.00 -0.13 0.00 0.00 32.58 28.32 2pru s HIS 42 CO 0.01 -1.81 0.00 1.19 -2.47 0.00 0.00 174.74 171.66 2pru n PHE 43 N 10.97 0.00 -3.29 3.88 3.72 -1.26 -4.85 117.46 126.63 2pru n PHE 43 Ca 0.38 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.55 2pru n PHE 43 Cb 0.49 -2.67 -0.08 0.00 -0.94 0.00 0.00 39.48 36.27 2pru n PHE 43 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 2pru s LEU 44 N -3.11 0.85 0.00 4.37 2.96 -1.24 -5.02 118.68 117.49 2pru s LEU 44 Ca 0.00 -2.74 0.00 0.00 -0.22 0.00 0.00 54.13 51.17 2pru s LEU 44 Cb 0.00 -0.01 0.00 0.00 0.50 0.00 0.00 46.19 46.68 2pru s LEU 44 CO 0.00 -0.16 0.00 -0.62 -1.32 0.00 0.00 176.35 174.25 2pru n GLU 45 N 2.99 0.00 -2.57 1.98 1.02 -1.26 -4.19 120.64 118.60 2pru n GLU 45 Ca 0.26 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.99 2pru n GLU 45 Cb 0.48 -0.04 -0.03 0.00 -0.02 0.00 0.00 31.44 31.83 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 -0.10 3.36 0.13 3.49 1.03 -1.26 -4.70 118.70 120.66 2pru s GLU 46 Ca 0.00 0.02 0.00 0.00 0.03 0.00 0.00 54.97 55.02 2pru s GLU 46 Cb 0.00 -4.09 0.00 0.00 -0.80 0.00 0.00 34.13 29.24 2pru s GLU 46 CO 0.00 -1.90 0.00 -0.89 -1.33 0.00 0.00 175.26 171.14 2pru n ILE 47 N 6.53 0.13 0.00 1.83 5.41 -1.26 -5.05 119.36 126.96 2pru n ILE 47 Ca 0.06 0.04 0.00 0.00 1.00 0.00 0.00 62.75 63.85 2pru n ILE 47 Cb 0.49 -0.48 0.00 0.00 -0.71 0.00 0.00 39.64 38.94 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 -3.01 0.33 0.02 0.38 4.76 -1.26 -4.96 118.16 114.43 2pru n LYS 48 Ca 0.00 0.00 0.04 0.00 -2.87 0.00 0.00 58.31 55.48 2pru n LYS 48 Cb 0.00 -0.04 0.42 0.00 -1.84 0.00 0.00 35.03 33.57 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 0.49 -0.89 1.97 9.09 -1.87 -3.22 114.58 120.16 2pru h GLU 49 Ca 0.00 -0.04 0.19 0.00 0.05 0.00 0.00 59.36 59.56 2pru h GLU 49 Cb 0.00 -0.10 -0.07 0.00 -1.65 0.00 0.00 28.75 26.93 2pru h GLU 49 CO 0.00 0.37 0.58 -0.56 0.05 0.00 0.00 179.01 179.45 2pru h GLN 50 N 0.50 0.44 -0.30 1.06 3.07 -1.89 0.74 115.11 118.73 2pru h GLN 50 Ca 0.13 -0.03 -0.03 0.00 0.09 0.00 0.00 58.65 58.81 2pru h GLN 50 Cb 0.01 -0.10 -0.01 0.00 0.08 0.00 0.00 27.48 27.46 2pru h GLN 50 CO -0.02 0.29 0.06 0.93 0.09 0.00 0.00 178.83 180.18 2pru h GLU 51 N 0.45 0.50 -0.01 0.06 5.08 -1.97 -2.84 114.58 115.83 2pru h GLU 51 Ca 0.46 -0.13 -0.17 0.00 -1.00 0.00 0.00 59.36 58.52 2pru h GLU 51 Cb 1.07 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.25 2pru h GLU 51 CO -0.18 0.58 -0.76 0.28 -1.00 0.00 0.00 179.01 177.93 2pru h VAL 52 N 0.33 1.48 -0.66 3.13 2.07 -0.72 -3.19 116.25 118.69 2pru h VAL 52 Ca 0.09 -2.44 0.04 0.00 0.82 0.00 0.00 66.70 65.22 2pru h VAL 52 Cb 0.32 2.32 -0.05 0.00 -1.52 0.00 0.00 31.29 32.37 2pru h VAL 52 CO 0.00 0.71 0.39 0.58 0.02 0.00 0.00 177.57 179.27 2pru h VAL 53 N 0.09 1.03 -0.70 2.57 2.07 0.49 0.60 116.25 122.40 2pru h VAL 53 Ca -0.02 -0.26 -0.07 0.00 0.82 0.00 0.00 66.70 67.17 2pru h VAL 53 Cb 1.34 0.22 -0.03 0.00 -1.52 0.00 0.00 31.29 31.30 2pru h VAL 53 CO 0.11 0.14 0.15 -0.78 0.02 0.00 0.00 177.57 177.21 2pru h ASP 54 N 0.75 1.07 -0.49 0.57 3.58 -1.50 0.36 116.42 120.76 2pru h ASP 54 Ca 0.28 -0.23 -0.11 0.00 0.42 0.00 0.00 57.03 57.38 2pru h ASP 54 Cb 0.09 -0.28 -0.02 0.00 1.72 0.00 0.00 39.33 40.85 2pru h ASP 54 CO -0.14 1.03 -0.12 0.11 -2.88 0.00 0.00 179.24 177.24 2pru h LYS 55 N 1.06 0.97 -0.37 0.28 1.57 -1.30 -0.80 116.57 117.98 2pru h LYS 55 Ca 0.22 -0.35 -0.01 0.00 -1.87 0.00 0.00 60.65 58.63 2pru h LYS 55 Cb 0.39 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.62 2pru h LYS 55 CO 0.01 1.02 0.18 0.28 -0.57 0.00 0.00 179.45 180.37 2pru h VAL 56 N 0.86 1.16 -0.58 0.50 2.07 0.57 -0.86 116.25 119.98 2pru h VAL 56 Ca 0.13 -0.46 -0.02 0.00 0.82 0.00 0.00 66.70 67.18 2pru h VAL 56 Cb 0.67 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 31.20 2pru h VAL 56 CO 0.05 0.17 0.28 0.24 0.02 0.00 0.00 177.57 178.33 2pru h MET 57 N 0.46 0.81 0.74 1.57 2.86 0.08 0.34 114.93 121.79 2pru h MET 57 Ca 0.13 -0.10 -0.04 0.00 -2.06 0.00 0.00 59.70 57.63 2pru h MET 57 Cb 0.11 -0.16 0.01 0.00 0.06 0.00 0.00 31.60 31.62 2pru h MET 57 CO -0.02 0.63 -0.36 1.49 1.06 0.00 0.00 176.91 179.71 2pru h GLU 58 N 0.81 -0.96 -0.44 1.72 4.81 -0.91 -3.06 114.58 116.55 2pru h GLU 58 Ca 0.20 0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.49 2pru h GLU 58 Cb 0.08 0.22 -0.02 0.00 0.63 0.00 0.00 28.75 29.66 2pru h GLU 58 CO -0.03 -0.63 0.23 1.79 -0.73 0.00 0.00 179.01 179.65 2pru h THR 59 N -1.23 1.17 -0.46 0.32 1.35 -0.88 0.17 112.91 113.35 2pru h THR 59 Ca -0.10 -0.44 0.09 0.00 -0.55 0.00 0.00 66.41 65.41 2pru h THR 59 Cb 0.78 0.65 -0.09 0.00 -1.73 0.00 0.00 68.15 67.76 2pru h THR 59 CO 0.17 0.18 -0.12 0.25 -0.25 0.00 0.00 175.52 175.74 2pru h LEU 60 N 0.57 -0.46 0.16 3.87 5.85 -0.42 0.19 115.31 125.07 2pru h LEU 60 Ca 0.15 0.14 -0.25 0.00 0.84 0.00 0.00 57.88 58.77 2pru h LEU 60 Cb 0.07 0.29 0.03 0.00 0.37 0.00 0.00 40.66 41.42 2pru h LEU 60 CO -0.02 -0.16 -1.07 -0.78 -0.34 0.00 0.00 178.44 176.07 2pru h ASP 61 N -0.01 0.66 -0.31 1.25 3.58 -1.41 -2.92 116.42 117.26 2pru h ASP 61 Ca 0.22 -0.90 -0.01 0.00 0.42 0.00 0.00 57.03 56.75 2pru h ASP 61 Cb 0.35 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 41.17 2pru h ASP 61 CO -0.48 1.51 0.14 -1.13 -2.88 0.00 0.00 179.24 176.41 2pru h ASN 62 N -0.08 0.41 0.55 2.28 -0.73 -0.29 -3.27 115.58 114.46 2pru h ASN 62 Ca -0.18 -0.13 -0.03 0.00 1.87 0.00 0.00 56.30 57.83 2pru h ASN 62 Cb 1.82 -0.11 0.01 0.00 0.27 0.00 0.00 38.32 40.31 2pru h ASN 62 CO 0.20 0.43 -0.27 -0.78 -0.37 0.00 0.00 177.43 176.65 2pru h ASP 63 N 0.36 -0.63 -6.11 1.15 3.58 -0.77 -3.49 116.42 110.51 2pru h ASP 63 Ca 0.11 0.02 -0.26 0.00 0.42 0.00 0.00 57.03 57.32 2pru h ASP 63 Cb 0.13 0.16 0.00 0.00 1.72 0.00 0.00 39.33 41.35 2pru h ASP 63 CO -0.01 -0.26 -0.70 0.61 -2.88 0.00 0.00 179.24 176.00 2pru n GLY 64 N -0.21 -1.07 0.26 -0.78 0.00 -1.10 -4.88 105.19 97.42 2pru n GLY 64 Ca -0.09 0.73 0.06 0.00 0.00 0.00 0.00 46.02 46.71 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 0.58 0.14 0.00 1.61 3.32 -1.94 -3.45 116.42 116.68 2pru h ASP 65 Ca -0.35 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.69 2pru h ASP 65 Cb 1.23 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.74 2pru h ASP 65 CO 0.31 0.17 0.00 0.61 -1.72 0.00 0.00 179.24 178.60 2pru n GLY 66 N -1.34 0.70 2.89 2.75 0.00 -1.26 -5.03 105.19 103.90 2pru n GLY 66 Ca -0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.02 0.60 -3.54 1.61 0.28 -1.26 -4.47 120.64 111.85 2pru n GLU 67 Ca 0.00 -2.40 -0.14 0.00 -0.16 0.00 0.00 57.16 54.46 2pru n GLU 67 Cb 0.00 2.31 -0.05 0.00 1.43 0.00 0.00 31.44 35.14 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 -2.11 0.45 0.52 0.00 2.15 -1.26 -3.19 116.67 113.22 2pru s ASP 69 Ca -0.04 -1.46 0.18 0.00 0.43 0.00 0.00 52.55 51.66 2pru s ASP 69 Cb -0.00 0.41 1.30 0.00 -0.30 0.00 0.00 42.92 44.33 2pru s ASP 69 CO -0.04 -0.88 2.14 2.19 -0.17 0.00 0.00 175.17 178.41 2pru h PHE 70 N 2.53 0.00 -0.54 -5.34 -5.15 -1.96 -0.81 116.94 105.66 2pru h PHE 70 Ca -0.34 0.00 -0.04 0.00 -0.20 0.00 0.00 57.97 57.39 2pru h PHE 70 Cb 1.25 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 37.39 2pru h PHE 70 CO 0.62 0.03 0.18 1.96 -2.00 0.00 0.00 178.31 179.10 2pru h GLN 71 N 0.00 0.84 -0.28 6.09 4.20 -1.99 -1.81 115.11 122.15 2pru h GLN 71 Ca -0.00 -0.18 -0.18 0.00 0.06 0.00 0.00 58.65 58.35 2pru h GLN 71 Cb 0.06 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 27.72 2pru h GLN 71 CO 0.00 0.76 -0.53 0.93 -0.67 0.00 0.00 178.83 179.32 2pru h GLU 72 N 0.75 0.83 -0.55 1.46 5.08 -1.57 0.11 114.58 120.70 2pru h GLU 72 Ca 0.18 -0.52 0.07 0.00 -1.00 0.00 0.00 59.36 58.09 2pru h GLU 72 Cb 0.27 0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.52 2pru h GLU 72 CO -0.01 1.15 0.22 0.74 -1.00 0.00 0.00 179.01 180.11 2pru h PHE 73 N 0.64 0.39 0.16 4.33 -1.00 -1.30 0.87 116.94 121.02 2pru h PHE 73 Ca 0.02 0.03 -0.01 0.00 2.81 0.00 0.00 57.97 60.82 2pru h PHE 73 Cb 1.13 -0.09 0.00 0.00 3.61 0.00 0.00 35.95 40.60 2pru h PHE 73 CO 0.07 0.13 -0.08 1.98 -1.61 0.00 0.00 178.31 178.80 2pru h MET 74 N 0.41 -0.21 0.54 1.51 4.05 -1.13 -3.24 114.93 116.87 2pru h MET 74 Ca 0.26 0.01 -0.02 0.00 -0.28 0.00 0.00 59.70 59.68 2pru h MET 74 Cb 0.27 0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 31.10 2pru h MET 74 CO -0.25 0.03 -0.48 0.00 0.23 0.00 0.00 176.91 176.44 2pru h ALA 75 N 0.38 -1.11 -0.43 0.39 0.00 -0.23 -1.32 119.26 116.94 2pru h ALA 75 Ca -0.02 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2pru h ALA 75 Cb 0.33 0.68 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 2pru h ALA 75 CO 0.04 -1.16 0.27 0.74 0.00 0.00 0.00 179.25 179.14 2pru h PHE 76 N -1.01 0.55 -0.03 0.00 0.04 -0.97 0.31 116.94 115.83 2pru h PHE 76 Ca -0.07 0.00 -0.21 0.00 2.80 0.00 0.00 57.97 60.50 2pru h PHE 76 Cb 0.87 -0.18 0.00 0.00 2.20 0.00 0.00 35.95 38.83 2pru h PHE 76 CO -0.22 0.37 -0.87 -0.24 -0.60 0.00 0.00 178.31 176.75 2pru h VAL 77 N 0.57 1.39 0.00 -0.55 3.04 -1.58 -2.93 116.25 116.19 2pru h VAL 77 Ca 0.16 -2.33 -0.16 0.00 -1.01 0.00 0.00 66.70 63.36 2pru h VAL 77 Cb -0.03 2.30 -0.02 0.00 -2.01 0.00 0.00 31.29 31.53 2pru h VAL 77 CO -0.03 0.70 -0.75 0.00 -1.01 0.00 0.00 177.57 176.47 2pru h ALA 78 N 0.79 0.56 -0.34 3.17 0.00 -0.94 -2.24 119.26 120.25 2pru h ALA 78 Ca -0.06 -0.69 -0.17 0.00 0.00 0.00 0.00 54.91 53.99 2pru h ALA 78 Cb 1.49 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.16 2pru h ALA 78 CO 0.15 0.94 -0.46 0.00 0.00 0.00 0.00 179.25 179.88 2pru h MET 79 N 0.00 0.92 0.02 0.00 3.00 -0.41 0.45 114.93 118.91 2pru h MET 79 Ca -0.01 -0.53 -0.00 0.00 0.00 0.00 0.00 59.70 59.16 2pru h MET 79 Cb 1.52 0.04 0.00 0.00 0.00 0.00 0.00 31.60 33.16 2pru h MET 79 CO 0.10 1.18 -0.01 -0.39 0.00 0.00 0.00 176.91 177.78 2pru h VAL 80 N 0.73 1.42 0.05 -0.10 -1.51 -1.51 -2.63 116.25 112.70 2pru h VAL 80 Ca 0.04 -1.45 -0.27 0.00 -1.23 0.00 0.00 66.70 63.78 2pru h VAL 80 Cb 1.06 2.39 -0.03 0.00 -2.13 0.00 0.00 31.29 32.58 2pru h VAL 80 CO 0.11 0.37 -1.44 0.74 -1.23 0.00 0.00 177.57 176.11 2pru h THR 81 N -0.67 1.21 0.00 7.19 2.02 -1.50 -3.29 112.91 117.87 2pru h THR 81 Ca -0.00 -2.94 -0.04 0.00 0.77 0.00 0.00 66.41 64.19 2pru h THR 81 Cb 0.63 2.67 -0.01 0.00 -1.74 0.00 0.00 68.15 69.70 2pru h THR 81 CO 0.01 0.76 -0.71 0.41 0.37 0.00 0.00 175.52 176.36 2pru n THR 82 N -3.30 1.21 -0.11 3.16 -1.04 0.26 -4.37 114.28 110.09 2pru n THR 82 Ca -0.12 0.19 -0.05 0.00 -2.04 0.00 0.00 64.05 62.03 2pru n THR 82 Cb 1.02 -1.87 0.02 0.00 -1.82 0.00 0.00 70.33 67.68 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 -0.44 0.37 0.00 2.41 0.00 -0.15 0.60 119.26 122.05 2pru h ALA 83 Ca -0.07 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2pru h ALA 83 Cb 0.62 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.57 2pru h ALA 83 CO -0.04 -0.37 -0.13 0.00 0.00 0.00 0.00 179.25 178.70 2pru n HIS 85 N -2.02 0.29 -0.76 0.00 -0.00 -0.41 -5.09 115.22 107.23 2pru n HIS 85 Ca 0.06 0.09 0.06 0.00 -0.00 0.00 0.00 57.72 57.93 2pru n HIS 85 Cb 0.41 -0.84 -0.03 0.00 -0.00 0.00 0.00 29.99 29.53 2pru n HIS 85 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.34 174.43 2pru n GLU 86 N -2.60 -1.86 0.11 1.57 0.00 0.20 -3.80 120.64 114.26 2pru n GLU 86 Ca -0.15 1.49 0.12 0.00 0.00 0.00 0.00 57.16 58.62 2pru n GLU 86 Cb 0.84 -2.01 0.46 0.00 0.00 0.00 0.00 31.44 30.73 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 -2.77 0.74 -0.19 4.31 3.72 -1.26 -1.80 117.46 120.20 2pru n PHE 87 Ca -0.03 0.26 -0.08 0.00 -0.05 0.00 0.00 57.45 57.55 2pru n PHE 87 Cb 0.31 -0.93 0.02 0.00 -0.94 0.00 0.00 39.48 37.94 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 0.92 0.00 1.38 3.57 -1.91 -1.95 116.94 118.95 2pru h PHE 88 Ca 0.00 -0.11 0.00 0.00 3.53 0.00 0.00 57.97 61.39 2pru h PHE 88 Cb 0.46 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 38.94 2pru h PHE 88 CO 0.00 0.80 -1.14 0.39 -2.23 0.00 0.00 178.31 176.13 2pru n GLU 89 N -4.41 0.22 0.00 1.11 1.02 -1.01 -4.66 120.64 112.91 2pru n GLU 89 Ca 0.02 -0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 2pru n GLU 89 Cb 0.23 -1.54 0.00 0.00 -0.02 0.00 0.00 31.44 30.11 2pru n GLU 89 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 2pru n HIS 90 N -1.80 0.00 0.00 -0.32 -0.00 -0.75 -5.05 115.22 107.31 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 0.41 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.28 2pru n HIS 90 CO 0.00 0.00 0.00 -1.91 0.46 0.00 0.00 176.34 174.89