#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 -0.02 -0.32 1.43 3.07 -2.05 -2.66 114.58 114.04 2pru h GLU 2 Ca 0.00 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.84 2pru h GLU 2 Cb 0.00 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 27.90 2pru h GLU 2 CO 0.00 0.33 0.09 -0.07 -1.40 0.00 0.00 179.01 177.96 2pru h LEU 3 N -0.36 0.41 0.09 1.33 -0.00 -2.05 0.16 115.31 114.89 2pru h LEU 3 Ca -0.00 -0.05 0.02 0.00 -0.00 0.00 0.00 57.88 57.85 2pru h LEU 3 Cb 0.35 -0.10 -0.03 0.00 -0.00 0.00 0.00 40.66 40.88 2pru h LEU 3 CO 0.00 0.41 -0.22 -0.08 -0.00 0.00 0.00 178.44 178.55 2pru h GLU 4 N 0.45 -0.39 -0.12 1.13 4.81 -1.99 0.61 114.58 119.08 2pru h GLU 4 Ca 0.11 0.03 -0.16 0.00 -0.13 0.00 0.00 59.36 59.21 2pru h GLU 4 Cb 0.15 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.61 2pru h GLU 4 CO -0.01 -0.26 -0.61 0.87 -0.73 0.00 0.00 179.01 178.28 2pru h LYS 5 N -0.40 0.40 0.80 1.92 1.57 -1.02 -3.23 116.57 116.61 2pru h LYS 5 Ca 0.03 -0.28 -0.04 0.00 -1.87 0.00 0.00 60.65 58.50 2pru h LYS 5 Cb 0.43 0.04 0.01 0.00 0.08 0.00 0.00 32.23 32.79 2pru h LYS 5 CO -0.14 0.89 -0.38 0.00 -0.57 0.00 0.00 179.45 179.25 2pru h ALA 6 N 1.05 -1.07 -0.84 3.86 0.00 -0.41 -2.94 119.26 118.91 2pru h ALA 6 Ca -0.01 -0.24 0.06 0.00 0.00 0.00 0.00 54.91 54.72 2pru h ALA 6 Cb 1.14 0.41 -0.06 0.00 0.00 0.00 0.00 17.79 19.28 2pru h ALA 6 CO 0.10 -1.01 0.52 1.98 0.00 0.00 0.00 179.25 180.85 2pru h MET 7 N -1.25 0.93 0.00 0.00 1.85 -0.98 0.84 114.93 116.32 2pru h MET 7 Ca -0.11 -0.06 -0.03 0.00 -0.61 0.00 0.00 59.70 58.89 2pru h MET 7 Cb 0.83 -0.21 -0.00 0.00 0.43 0.00 0.00 31.60 32.64 2pru h MET 7 CO 0.18 0.62 -0.14 -0.24 -0.40 0.00 0.00 176.91 176.92 2pru h VAL 8 N 0.96 0.48 0.10 -5.77 3.04 -1.64 -1.59 116.25 111.83 2pru h VAL 8 Ca 0.36 -0.73 -0.19 0.00 -1.01 0.00 0.00 66.70 65.14 2pru h VAL 8 Cb 0.15 1.50 0.02 0.00 -2.01 0.00 0.00 31.29 30.95 2pru h VAL 8 CO -0.17 0.14 -0.81 0.00 -1.01 0.00 0.00 177.57 175.73 2pru h ALA 9 N 1.86 -0.04 -0.75 3.17 0.00 -0.70 -2.99 119.26 119.82 2pru h ALA 9 Ca -0.00 -0.67 -0.02 0.00 0.00 0.00 0.00 54.91 54.22 2pru h ALA 9 Cb 0.49 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 2pru h ALA 9 CO 0.02 0.40 0.40 -0.07 0.00 0.00 0.00 179.25 180.00 2pru h LEU 10 N -0.22 0.94 -1.03 0.00 4.07 -0.68 -0.09 115.31 118.30 2pru h LEU 10 Ca -0.13 -0.10 -0.10 0.00 0.08 0.00 0.00 57.88 57.63 2pru h LEU 10 Cb 1.58 -0.24 -0.01 0.00 1.08 0.00 0.00 40.66 43.07 2pru h LEU 10 CO 0.15 0.78 -0.47 0.16 -1.08 0.00 0.00 178.44 177.98 2pru h ILE 11 N 1.03 1.30 0.04 1.22 3.07 -1.42 -3.14 117.51 119.61 2pru h ILE 11 Ca 0.26 -1.64 -0.00 0.00 1.55 0.00 0.00 64.86 65.03 2pru h ILE 11 Cb 0.05 1.90 0.00 0.00 -0.27 0.00 0.00 36.82 38.50 2pru h ILE 11 CO -0.04 0.46 -0.02 -0.78 -1.05 0.00 0.00 178.15 176.72 2pru h ASP 12 N 0.00 -0.04 -0.33 2.16 3.58 -1.28 -3.33 116.42 117.19 2pru h ASP 12 Ca -0.00 -0.61 0.09 0.00 0.42 0.00 0.00 57.03 56.93 2pru h ASP 12 Cb 0.86 0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.91 2pru h ASP 12 CO 0.06 0.71 0.32 1.62 -2.88 0.00 0.00 179.24 179.08 2pru h VAL 13 N -0.93 0.48 -0.48 2.25 3.04 -1.08 -0.75 116.25 118.79 2pru h VAL 13 Ca -0.01 0.00 0.04 0.00 -1.01 0.00 0.00 66.70 65.73 2pru h VAL 13 Cb 0.65 0.75 -0.04 0.00 -2.01 0.00 0.00 31.29 30.63 2pru h VAL 13 CO 0.01 0.00 0.23 0.15 -1.01 0.00 0.00 177.57 176.95 2pru h PHE 14 N 0.00 0.42 0.02 3.17 3.57 -1.65 0.77 116.94 123.24 2pru h PHE 14 Ca 0.15 0.02 -0.26 0.00 3.53 0.00 0.00 57.97 61.41 2pru h PHE 14 Cb 0.80 -0.12 -0.04 0.00 2.79 0.00 0.00 35.95 39.39 2pru h PHE 14 CO 0.00 0.20 -1.39 0.45 -2.23 0.00 0.00 178.31 175.34 2pru h HIS 15 N 0.45 0.07 -1.00 0.41 -0.00 -1.33 -2.31 115.15 111.44 2pru h HIS 15 Ca 0.21 -0.05 0.05 0.00 -0.00 0.00 0.00 60.37 60.59 2pru h HIS 15 Cb 0.14 -0.00 -0.06 0.00 -0.00 0.00 0.00 27.41 27.48 2pru h HIS 15 CO -0.11 1.06 0.65 1.96 -0.00 0.00 0.00 177.93 181.49 2pru h GLN 16 N 0.01 1.18 0.27 2.45 1.08 -1.10 0.10 115.11 119.11 2pru h GLN 16 Ca -0.16 -0.07 -0.01 0.00 -1.45 0.00 0.00 58.65 56.95 2pru h GLN 16 Cb 1.91 -0.27 0.00 0.00 -0.05 0.00 0.00 27.48 29.08 2pru h GLN 16 CO 0.11 0.78 -0.13 -0.92 -0.95 0.00 0.00 178.83 177.73 2pru h TYR 17 N 1.22 -0.34 -1.43 2.96 3.20 -0.83 -3.45 116.97 118.30 2pru h TYR 17 Ca 0.42 -0.01 -0.21 0.00 3.14 0.00 0.00 58.73 62.06 2pru h TYR 17 Cb 0.08 0.11 -0.24 0.00 1.54 0.00 0.00 36.73 38.22 2pru h TYR 17 CO -0.00 -0.21 -0.57 -1.12 -1.64 0.00 0.00 178.16 174.62 2pru s SER 18 N -3.47 -0.33 0.14 -2.11 0.01 -0.87 -4.96 113.70 102.10 2pru s SER 18 Ca -0.05 -1.30 -0.04 0.00 1.31 0.00 0.00 55.95 55.87 2pru s SER 18 Cb 0.01 1.30 -0.05 0.00 0.21 0.00 0.00 66.02 67.49 2pru s SER 18 CO 0.16 -0.19 1.35 1.23 0.41 0.00 0.00 173.24 176.19 2pru h GLY 19 N 6.76 0.48 1.35 3.44 0.00 -0.94 0.39 103.07 114.55 2pru h GLY 19 Ca 0.06 -0.78 0.08 0.00 0.00 0.00 0.00 47.33 46.70 2pru h GLY 19 CO 0.14 0.69 0.24 0.07 0.00 0.00 0.00 176.54 177.69 2pru h ARG 20 N 0.27 0.00 0.00 4.80 -0.00 -1.93 0.58 114.38 118.10 2pru h ARG 20 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.92 2pru h ARG 20 Cb 1.48 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.45 2pru h ARG 20 CO 0.15 0.00 -0.19 0.39 -0.00 0.00 0.00 179.97 180.33 2pru n GLU 21 N -4.15 0.15 -0.28 0.08 -0.58 -1.14 -3.96 120.64 110.77 2pru n GLU 21 Ca 0.04 0.31 0.08 0.00 -0.42 0.00 0.00 57.16 57.17 2pru n GLU 21 Cb 0.40 -1.03 0.23 0.00 -0.57 0.00 0.00 31.44 30.48 2pru n GLU 21 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 2pru h GLY 22 N -0.33 1.28 1.78 0.62 0.00 -0.00 0.69 103.07 107.11 2pru h GLY 22 Ca 0.00 -0.14 -0.24 0.00 0.00 0.00 0.00 47.33 46.95 2pru h GLY 22 CO 0.00 -0.17 -1.15 -0.55 0.00 0.00 0.00 176.54 174.67 2pru h ASP 23 N 0.42 0.10 0.00 0.19 5.19 -1.09 -3.24 116.42 117.99 2pru h ASP 23 Ca 0.47 -0.12 0.00 0.00 -0.62 0.00 0.00 57.03 56.76 2pru h ASP 23 Cb 0.80 -0.03 0.00 0.00 0.18 0.00 0.00 39.33 40.27 2pru h ASP 23 CO -0.47 1.09 -0.69 0.29 -3.12 0.00 0.00 179.24 176.35 2pru n LYS 24 N -3.36 0.37 -0.16 3.56 4.01 -0.16 -4.67 118.16 117.74 2pru n LYS 24 Ca -0.04 0.15 0.12 0.00 -0.51 0.00 0.00 58.31 58.02 2pru n LYS 24 Cb 0.97 -1.13 0.21 0.00 -0.51 0.00 0.00 35.03 34.57 2pru n LYS 24 CO 0.00 0.00 0.00 0.72 -1.11 0.00 0.00 177.40 177.01 2pru n HIS 25 N -4.04 0.43 -1.05 2.13 8.25 0.19 -5.04 115.22 116.09 2pru n HIS 25 Ca -0.10 -0.22 0.13 0.00 -0.26 0.00 0.00 57.72 57.28 2pru n HIS 25 Cb 0.36 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.41 2pru n HIS 25 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2pru n LYS 26 N 1.44 -2.37 0.09 -0.41 4.01 0.16 -4.74 118.16 116.33 2pru n LYS 26 Ca 0.19 1.88 -0.13 0.00 -0.51 0.00 0.00 58.31 59.74 2pru n LYS 26 Cb 0.60 -2.79 -0.10 0.00 -0.51 0.00 0.00 35.03 32.22 2pru n LYS 26 CO 0.00 0.00 0.00 1.25 -1.11 0.00 0.00 177.40 177.54 2pru h LEU 27 N -1.02 0.35 -0.56 -0.35 5.85 -1.71 -3.28 115.31 114.58 2pru h LEU 27 Ca -0.11 -0.34 0.00 0.00 0.84 0.00 0.00 57.88 58.26 2pru h LEU 27 Cb 1.00 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.92 2pru h LEU 27 CO 0.05 1.23 -0.52 0.29 -0.34 0.00 0.00 178.44 179.15 2pru n LYS 28 N -3.56 -2.61 0.24 1.25 4.01 -0.66 -4.34 118.16 112.50 2pru n LYS 28 Ca -0.06 1.94 0.15 0.00 -0.51 0.00 0.00 58.31 59.83 2pru n LYS 28 Cb 0.95 -2.19 0.43 0.00 -0.51 0.00 0.00 35.03 33.72 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 0.96 0.00 0.00 1.97 1.57 -1.80 -2.56 116.57 116.71 2pru h LYS 29 Ca 0.00 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.71 2pru h LYS 29 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 2pru h LYS 29 CO 0.00 0.00 -0.31 0.77 -0.57 0.00 0.00 179.45 179.34 2pru h SER 30 N 0.00 0.00 0.84 0.86 0.02 -1.86 -1.69 113.55 111.71 2pru h SER 30 Ca 0.00 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.82 2pru h SER 30 Cb 0.74 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.26 2pru h SER 30 CO 0.00 0.31 -0.62 -0.33 -1.14 0.00 0.00 176.83 175.05 2pru h GLU 31 N 0.00 0.00 0.00 3.45 4.39 -1.65 -2.62 114.58 118.15 2pru h GLU 31 Ca -0.00 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 2pru h GLU 31 Cb 0.60 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.25 2pru h GLU 31 CO 0.04 0.62 -0.08 1.25 -1.16 0.00 0.00 179.01 179.68 2pru h LEU 32 N 0.00 0.00 0.04 1.33 7.12 -1.31 -1.63 115.31 120.87 2pru h LEU 32 Ca -0.01 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.00 2pru h LEU 32 Cb 1.21 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 41.34 2pru h LEU 32 CO 0.08 0.08 -0.04 0.50 -0.13 0.00 0.00 178.44 178.93 2pru h LYS 33 N 0.00 -0.09 -0.21 1.25 3.11 -1.33 0.36 116.57 119.66 2pru h LYS 33 Ca -0.00 0.01 -0.05 0.00 -2.81 0.00 0.00 60.65 57.79 2pru h LYS 33 Cb 0.19 0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 31.43 2pru h LYS 33 CO 0.01 -0.06 -0.10 0.93 -2.81 0.00 0.00 179.45 177.43 2pru h GLU 34 N -0.09 0.34 -0.10 1.90 4.39 -1.50 -2.59 114.58 116.93 2pru h GLU 34 Ca 0.00 -0.08 -0.09 0.00 0.34 0.00 0.00 59.36 59.54 2pru h GLU 34 Cb 0.08 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.69 2pru h GLU 34 CO -0.01 0.44 -0.27 1.25 -1.16 0.00 0.00 179.01 179.27 2pru h LEU 35 N 0.32 0.42 -1.23 1.33 5.85 -0.58 -2.94 115.31 118.47 2pru h LEU 35 Ca 0.07 -0.59 -0.01 0.00 0.84 0.00 0.00 57.88 58.19 2pru h LEU 35 Cb 0.37 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.25 2pru h LEU 35 CO 0.02 0.93 0.35 0.16 -0.34 0.00 0.00 178.44 179.56 2pru h ILE 36 N -0.07 1.19 -0.06 4.05 3.07 -0.23 -1.95 117.51 123.50 2pru h ILE 36 Ca -0.00 -0.48 -0.02 0.00 1.55 0.00 0.00 64.86 65.91 2pru h ILE 36 Cb 0.88 0.33 -0.01 0.00 -0.27 0.00 0.00 36.82 37.75 2pru h ILE 36 CO 0.06 0.21 -0.04 -1.13 -1.05 0.00 0.00 178.15 176.20 2pru h ASN 37 N 0.89 0.08 0.00 2.16 -1.24 -1.40 -0.24 115.58 115.82 2pru h ASN 37 Ca 0.23 -0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.23 2pru h ASN 37 Cb 0.02 -0.02 0.00 0.00 0.73 0.00 0.00 38.32 39.05 2pru h ASN 37 CO -0.04 0.14 0.00 -3.20 -1.29 0.00 0.00 177.43 173.04 2pru n ASN 38 N -4.44 0.14 0.09 1.15 2.85 -0.96 -4.78 115.26 109.32 2pru n ASN 38 Ca -0.02 0.03 0.13 0.00 -0.11 0.00 0.00 54.58 54.61 2pru n ASN 38 Cb 0.15 -0.04 0.36 0.00 1.24 0.00 0.00 39.78 41.50 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 -2.65 0.26 0.00 1.20 1.02 -0.83 -3.40 120.64 116.26 2pru n GLU 39 Ca 0.00 0.19 0.00 0.00 -0.02 0.00 0.00 57.16 57.33 2pru n GLU 39 Cb 0.00 -1.78 0.00 0.00 -0.02 0.00 0.00 31.44 29.64 2pru n GLU 39 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2pru n LEU 40 N -2.22 0.04 -4.44 -4.62 4.32 -0.80 -4.60 117.00 104.68 2pru n LEU 40 Ca 0.05 0.14 -0.44 0.00 -0.02 0.00 0.00 56.01 55.74 2pru n LEU 40 Cb 0.43 -0.48 -0.01 0.00 -1.62 0.00 0.00 43.42 41.74 2pru n LEU 40 CO 0.32 -0.48 1.13 -0.55 -1.22 0.00 0.00 177.39 176.59 2pru s SER 41 N -3.59 6.96 0.05 -1.43 0.15 -0.10 -4.79 113.70 110.95 2pru s SER 41 Ca 0.00 -2.78 -0.18 0.00 0.70 0.00 0.00 55.95 53.69 2pru s SER 41 Cb 0.00 -2.36 -0.14 0.00 -1.71 0.00 0.00 66.02 61.81 2pru s SER 41 CO 0.00 -0.77 1.33 -0.74 1.20 0.00 0.00 173.24 174.26 2pru h HIS 42 N 7.61 0.60 0.00 3.44 2.76 -1.81 -3.40 115.15 124.36 2pru h HIS 42 Ca 0.24 -0.20 -0.01 0.00 -2.20 0.00 0.00 60.37 58.20 2pru h HIS 42 Cb 0.93 -0.12 -0.01 0.00 1.55 0.00 0.00 27.41 29.76 2pru h HIS 42 CO 1.07 0.90 -0.15 1.97 -1.30 0.00 0.00 177.93 180.42 2pru n PHE 43 N -4.40 0.00 -0.07 5.26 -1.74 -1.26 -4.93 117.46 110.32 2pru n PHE 43 Ca -0.06 -0.02 0.03 0.00 -0.56 0.00 0.00 57.45 56.84 2pru n PHE 43 Cb 0.45 0.17 0.22 0.00 1.52 0.00 0.00 39.48 41.84 2pru n PHE 43 CO 0.00 0.00 0.00 1.28 -0.56 0.00 0.00 176.76 177.48 2pru n LEU 44 N 0.01 3.74 0.00 5.98 7.99 -1.26 -4.24 117.00 129.21 2pru n LEU 44 Ca -0.01 -1.90 0.09 0.00 -0.01 0.00 0.00 56.01 54.19 2pru n LEU 44 Cb 0.57 -0.61 0.51 0.00 -0.11 0.00 0.00 43.42 43.78 2pru n LEU 44 CO -0.00 0.48 0.77 -0.62 -1.51 0.00 0.00 177.39 176.51 2pru n GLU 45 N 0.30 0.41 0.00 3.23 1.02 -1.26 -2.59 120.64 121.75 2pru n GLU 45 Ca 0.17 0.06 0.12 0.00 -0.02 0.00 0.00 57.16 57.49 2pru n GLU 45 Cb 0.80 -1.50 0.26 0.00 -0.02 0.00 0.00 31.44 30.98 2pru n GLU 45 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2pru n GLU 46 N -1.16 1.11 0.00 3.49 1.02 -1.26 -4.67 120.64 119.17 2pru n GLU 46 Ca 0.11 -0.77 0.00 0.00 -0.02 0.00 0.00 57.16 56.48 2pru n GLU 46 Cb 0.11 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.05 2pru n GLU 46 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 2pru n ILE 47 N -0.27 0.00 0.00 -3.67 5.41 -1.07 -5.02 119.36 114.74 2pru n ILE 47 Ca 0.12 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.87 2pru n ILE 47 Cb 0.40 -0.20 0.00 0.00 -0.71 0.00 0.00 39.64 39.13 2pru n ILE 47 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 2pru n LYS 48 N -0.26 0.00 0.00 0.38 3.00 -1.21 -4.99 118.16 115.08 2pru n LYS 48 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 2pru n LYS 48 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 2pru n LYS 48 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 2pru n GLU 49 N -1.15 0.00 -0.31 1.64 -0.58 -0.23 -4.40 120.64 115.61 2pru n GLU 49 Ca 0.00 0.00 0.14 0.00 -0.42 0.00 0.00 57.16 56.88 2pru n GLU 49 Cb 0.00 0.00 0.32 0.00 -0.57 0.00 0.00 31.44 31.19 2pru n GLU 49 CO 0.00 0.00 0.00 -0.56 -0.48 0.00 0.00 177.13 176.09 2pru h GLN 50 N 0.00 0.42 -0.02 3.49 3.07 -1.86 0.87 115.11 121.08 2pru h GLN 50 Ca 0.00 -0.03 -0.08 0.00 0.09 0.00 0.00 58.65 58.63 2pru h GLN 50 Cb 0.00 -0.10 0.01 0.00 0.08 0.00 0.00 27.48 27.47 2pru h GLN 50 CO 0.00 0.28 -0.32 0.93 0.09 0.00 0.00 178.83 179.81 2pru h GLU 51 N 0.44 0.25 -0.07 0.06 3.07 -1.95 -3.23 114.58 113.15 2pru h GLU 51 Ca 0.58 -0.24 -0.16 0.00 -0.50 0.00 0.00 59.36 59.03 2pru h GLU 51 Cb 1.10 0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 29.06 2pru h GLU 51 CO -0.52 0.93 -0.68 0.28 -1.40 0.00 0.00 179.01 177.63 2pru h VAL 52 N -0.34 1.40 -0.56 3.13 2.07 -0.87 -2.64 116.25 118.43 2pru h VAL 52 Ca -0.03 -2.11 -0.04 0.00 0.82 0.00 0.00 66.70 65.33 2pru h VAL 52 Cb 1.03 2.09 -0.03 0.00 -1.52 0.00 0.00 31.29 32.86 2pru h VAL 52 CO 0.06 0.63 0.17 0.58 0.02 0.00 0.00 177.57 179.03 2pru h VAL 53 N 0.21 1.22 -0.46 2.57 2.07 0.45 0.36 116.25 122.67 2pru h VAL 53 Ca -0.02 -0.75 -0.10 0.00 0.82 0.00 0.00 66.70 66.65 2pru h VAL 53 Cb 1.22 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 31.58 2pru h VAL 53 CO 0.11 0.29 -0.09 -0.78 0.02 0.00 0.00 177.57 177.12 2pru h ASP 54 N 0.82 0.88 -0.17 0.57 3.58 -1.49 -0.76 116.42 119.84 2pru h ASP 54 Ca 0.19 -0.35 -0.10 0.00 0.42 0.00 0.00 57.03 57.19 2pru h ASP 54 Cb 0.24 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 41.04 2pru h ASP 54 CO -0.01 1.03 -0.21 0.11 -2.88 0.00 0.00 179.24 177.28 2pru h LYS 55 N 0.72 0.61 -0.32 0.28 1.57 -1.07 -2.14 116.57 116.21 2pru h LYS 55 Ca 0.12 -0.22 -0.13 0.00 -1.87 0.00 0.00 60.65 58.55 2pru h LYS 55 Cb 0.63 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.89 2pru h LYS 55 CO 0.04 0.77 -0.33 -0.24 -0.57 0.00 0.00 179.45 179.13 2pru h VAL 56 N 0.54 1.28 -0.32 0.50 3.04 -0.06 -0.20 116.25 121.04 2pru h VAL 56 Ca 0.08 -1.47 -0.04 0.00 -1.01 0.00 0.00 66.70 64.26 2pru h VAL 56 Cb 0.65 1.39 -0.02 0.00 -2.01 0.00 0.00 31.29 31.30 2pru h VAL 56 CO 0.05 0.48 0.03 0.24 -1.01 0.00 0.00 177.57 177.36 2pru h MET 57 N 0.60 0.47 0.41 4.17 2.86 -0.72 0.30 114.93 123.03 2pru h MET 57 Ca 0.06 -0.08 -0.02 0.00 -2.06 0.00 0.00 59.70 57.60 2pru h MET 57 Cb 0.85 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.43 2pru h MET 57 CO 0.07 0.48 -0.20 1.49 1.06 0.00 0.00 176.91 179.81 2pru h GLU 58 N 0.46 -0.54 -0.02 1.72 4.57 -1.10 -3.32 114.58 116.36 2pru h GLU 58 Ca 0.11 0.04 -0.00 0.00 -1.18 0.00 0.00 59.36 58.32 2pru h GLU 58 Cb 0.25 0.12 -0.00 0.00 -0.16 0.00 0.00 28.75 28.96 2pru h GLU 58 CO 0.00 -0.36 -0.00 1.79 -1.18 0.00 0.00 179.01 179.27 2pru h THR 59 N -0.90 1.25 -0.52 0.32 1.35 -0.76 -0.49 112.91 113.16 2pru h THR 59 Ca -0.06 -0.75 0.06 0.00 -0.55 0.00 0.00 66.41 65.11 2pru h THR 59 Cb 0.43 1.73 -0.06 0.00 -1.73 0.00 0.00 68.15 68.52 2pru h THR 59 CO 0.09 0.20 0.22 0.25 -0.25 0.00 0.00 175.52 176.03 2pru h LEU 60 N -0.28 0.26 0.05 3.87 5.85 -0.60 0.34 115.31 124.79 2pru h LEU 60 Ca 0.01 0.05 -0.26 0.00 0.84 0.00 0.00 57.88 58.51 2pru h LEU 60 Cb 0.32 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.34 2pru h LEU 60 CO 0.00 0.17 -1.35 -0.78 -0.34 0.00 0.00 178.44 176.15 2pru h ASP 61 N 0.42 0.16 -0.23 1.25 3.58 -1.64 -2.24 116.42 117.71 2pru h ASP 61 Ca 0.25 -0.21 -0.15 0.00 0.42 0.00 0.00 57.03 57.34 2pru h ASP 61 Cb 0.24 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.23 2pru h ASP 61 CO -0.22 1.18 -0.43 -1.13 -2.88 0.00 0.00 179.24 175.75 2pru h ASN 62 N 0.03 0.79 0.73 2.28 -0.73 -0.64 -3.23 115.58 114.80 2pru h ASN 62 Ca -0.16 -0.54 -0.04 0.00 1.87 0.00 0.00 56.30 57.44 2pru h ASN 62 Cb 1.92 -0.23 0.01 0.00 0.27 0.00 0.00 38.32 40.29 2pru h ASN 62 CO 0.13 1.18 -0.35 -0.78 -0.37 0.00 0.00 177.43 177.24 2pru h ASP 63 N 0.43 -0.83 0.00 1.15 3.58 -0.43 -3.45 116.42 116.87 2pru h ASP 63 Ca 0.01 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.47 2pru h ASP 63 Cb 1.03 0.21 0.00 0.00 1.72 0.00 0.00 39.33 42.30 2pru h ASP 63 CO 0.10 -0.48 0.00 0.61 -2.88 0.00 0.00 179.24 176.59 2pru n GLY 64 N -0.90 1.30 5.00 -0.78 0.00 -0.84 -4.82 105.19 104.16 2pru n GLY 64 Ca -0.13 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 2.71 0.00 0.00 1.61 -0.08 -1.26 -3.49 116.55 116.04 2pru n ASP 65 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 2pru n ASP 65 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 2pru n ASP 65 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2pru n GLY 66 N 0.00 3.65 3.49 0.27 0.00 -1.26 -5.09 105.19 106.25 2pru n GLY 66 Ca 0.00 -0.57 -0.28 0.00 0.00 0.00 0.00 46.02 45.17 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 1.77 -0.22 1.61 1.03 -1.26 -1.65 118.70 119.99 2pru s GLU 67 Ca 0.00 -1.26 -0.03 0.00 0.03 0.00 0.00 54.97 53.71 2pru s GLU 67 Cb 0.00 -2.07 -0.00 0.00 -0.80 0.00 0.00 34.13 31.26 2pru s GLU 67 CO 0.00 0.46 -0.07 0.00 -1.33 0.00 0.00 175.26 174.32 2pru s ASP 69 N 1.44 6.16 0.57 0.00 -1.08 -1.26 -4.75 116.67 117.74 2pru s ASP 69 Ca 0.05 1.32 0.34 0.00 -0.52 0.00 0.00 52.55 53.75 2pru s ASP 69 Cb -0.14 -2.38 1.67 0.00 -1.46 0.00 0.00 42.92 40.60 2pru s ASP 69 CO -0.05 -0.87 2.11 2.19 0.52 0.00 0.00 175.17 179.07 2pru h PHE 70 N -0.27 0.00 -0.34 -5.34 -5.15 -1.99 0.55 116.94 104.40 2pru h PHE 70 Ca -0.44 0.00 -0.12 0.00 -0.20 0.00 0.00 57.97 57.21 2pru h PHE 70 Cb 1.20 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 37.36 2pru h PHE 70 CO 0.63 0.05 -0.24 1.96 -2.00 0.00 0.00 178.31 178.71 2pru h GLN 71 N 0.00 0.77 0.00 6.09 4.20 -1.98 -2.93 115.11 121.26 2pru h GLN 71 Ca -0.00 -0.37 -0.14 0.00 0.06 0.00 0.00 58.65 58.20 2pru h GLN 71 Cb 0.33 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.08 2pru h GLN 71 CO 0.01 0.99 -0.67 0.93 -0.67 0.00 0.00 178.83 179.42 2pru h GLU 72 N 0.54 0.00 -0.59 1.46 5.08 -1.52 -0.16 114.58 119.39 2pru h GLU 72 Ca 0.07 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.51 2pru h GLU 72 Cb 0.80 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.99 2pru h GLU 72 CO 0.07 0.67 0.24 0.35 -1.00 0.00 0.00 179.01 179.34 2pru h PHE 73 N 0.00 0.43 -0.04 4.33 3.04 -0.94 0.71 116.94 124.46 2pru h PHE 73 Ca -0.01 0.03 -0.04 0.00 3.98 0.00 0.00 57.97 61.94 2pru h PHE 73 Cb 1.28 -0.11 0.00 0.00 2.56 0.00 0.00 35.95 39.68 2pru h PHE 73 CO 0.00 0.15 -0.11 1.98 -2.02 0.00 0.00 178.31 178.31 2pru h MET 74 N 0.45 0.15 -0.12 1.11 4.05 -1.27 -3.21 114.93 116.09 2pru h MET 74 Ca 0.29 -0.10 0.04 0.00 -0.28 0.00 0.00 59.70 59.64 2pru h MET 74 Cb 0.31 0.02 -0.06 0.00 -0.80 0.00 0.00 31.60 31.06 2pru h MET 74 CO -0.26 0.71 -0.40 0.00 0.23 0.00 0.00 176.91 177.19 2pru h ALA 75 N 0.45 -0.55 -0.46 0.39 0.00 -0.35 0.12 119.26 118.86 2pru h ALA 75 Ca -0.00 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 2pru h ALA 75 Cb 0.71 0.74 -0.01 0.00 0.00 0.00 0.00 17.79 19.23 2pru h ALA 75 CO 0.02 -0.90 -0.10 0.74 0.00 0.00 0.00 179.25 179.02 2pru h PHE 76 N -0.48 0.99 -0.29 0.00 -1.00 -1.04 -2.25 116.94 112.87 2pru h PHE 76 Ca 0.08 -0.21 -0.17 0.00 2.81 0.00 0.00 57.97 60.48 2pru h PHE 76 Cb 0.61 -0.24 -0.00 0.00 3.61 0.00 0.00 35.95 39.92 2pru h PHE 76 CO -0.46 0.97 -0.48 -0.24 -1.61 0.00 0.00 178.31 176.49 2pru h VAL 77 N 0.73 1.29 -0.16 -0.55 3.04 -1.50 -2.53 116.25 116.57 2pru h VAL 77 Ca 0.12 -1.67 -0.10 0.00 -1.01 0.00 0.00 66.70 64.04 2pru h VAL 77 Cb 0.64 1.57 -0.01 0.00 -2.01 0.00 0.00 31.29 31.49 2pru h VAL 77 CO 0.04 0.54 -0.34 0.00 -1.01 0.00 0.00 177.57 176.80 2pru h ALA 78 N 0.83 1.13 0.00 3.17 0.00 -0.69 -2.23 119.26 121.47 2pru h ALA 78 Ca 0.03 -0.37 -0.15 0.00 0.00 0.00 0.00 54.91 54.42 2pru h ALA 78 Cb 1.06 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 2pru h ALA 78 CO 0.10 0.56 -0.79 0.00 0.00 0.00 0.00 179.25 179.12 2pru h MET 79 N 0.27 0.00 -0.02 0.00 -0.00 -1.32 -1.47 114.93 112.40 2pru h MET 79 Ca 0.03 0.00 -0.13 0.00 -0.00 0.00 0.00 59.70 59.60 2pru h MET 79 Cb 0.74 0.00 0.01 0.00 -0.00 0.00 0.00 31.60 32.35 2pru h MET 79 CO 0.06 0.62 -0.51 -0.39 -0.00 0.00 0.00 176.91 176.69 2pru h VAL 80 N 0.00 1.44 0.01 -0.10 -1.51 -1.23 -3.09 116.25 111.77 2pru h VAL 80 Ca -0.03 -2.00 -0.00 0.00 -1.23 0.00 0.00 66.70 63.44 2pru h VAL 80 Cb 1.54 2.56 0.00 0.00 -2.13 0.00 0.00 31.29 33.26 2pru h VAL 80 CO 0.08 0.58 -0.01 0.74 -1.23 0.00 0.00 177.57 177.73 2pru h THR 81 N -0.15 1.40 0.00 7.19 2.02 -1.51 -0.59 112.91 121.27 2pru h THR 81 Ca -0.06 -1.94 0.00 0.00 0.77 0.00 0.00 66.41 65.18 2pru h THR 81 Cb 1.22 2.60 0.00 0.00 -1.74 0.00 0.00 68.15 70.23 2pru h THR 81 CO 0.10 0.46 0.00 0.41 0.37 0.00 0.00 175.52 176.86 2pru n THR 82 N -4.68 0.00 -3.76 3.16 -1.04 -0.56 -3.30 114.28 104.11 2pru n THR 82 Ca -0.08 0.45 -0.25 0.00 -2.04 0.00 0.00 64.05 62.13 2pru n THR 82 Cb 0.37 -1.14 0.00 0.00 -1.82 0.00 0.00 70.33 67.74 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 -1.46 -2.75 0.00 2.41 0.00 -1.17 -1.53 120.51 116.01 2pru n ALA 83 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.15 2pru n ALA 83 Cb 0.00 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.32 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 3.43 0.00 0.00 3.76 -0.58 -1.57 115.29 120.33 2pru s HIS 85 Ca 0.00 1.20 0.00 0.00 -0.15 0.00 0.00 55.06 56.11 2pru s HIS 85 Cb 0.00 -2.55 0.00 0.00 1.11 0.00 0.00 32.58 31.14 2pru s HIS 85 CO 0.00 -0.10 0.00 0.39 -0.85 0.00 0.00 174.74 174.18 2pru n GLU 86 N -1.06 0.00 0.17 1.40 -0.58 -1.26 -4.44 120.64 114.87 2pru n GLU 86 Ca 0.04 0.00 0.12 0.00 -0.42 0.00 0.00 57.16 56.90 2pru n GLU 86 Cb 0.54 -0.45 0.20 0.00 -0.57 0.00 0.00 31.44 31.15 2pru n GLU 86 CO 0.00 0.00 0.00 0.35 -0.48 0.00 0.00 177.13 177.00 2pru h PHE 87 N 0.00 0.00 0.00 -0.32 3.04 -1.84 0.19 116.94 118.01 2pru h PHE 87 Ca 0.00 0.00 -0.45 0.00 3.98 0.00 0.00 57.97 61.50 2pru h PHE 87 Cb 0.00 0.00 -0.07 0.00 2.56 0.00 0.00 35.95 38.44 2pru h PHE 87 CO 0.00 0.00 -2.52 0.34 -2.02 0.00 0.00 178.31 174.11 2pru n PHE 88 N -2.79 0.00 0.00 0.41 7.35 -0.61 -3.62 117.46 118.20 2pru n PHE 88 Ca 0.04 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.73 2pru n PHE 88 Cb 0.51 -0.98 0.00 0.00 0.35 0.00 0.00 39.48 39.35 2pru n PHE 88 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39 2pru n GLU 89 N -4.14 0.00 -0.19 -4.13 4.71 -1.25 -4.21 120.64 111.43 2pru n GLU 89 Ca -0.53 0.37 -0.07 0.00 -0.01 0.00 0.00 57.16 56.93 2pru n GLU 89 Cb 0.89 -1.14 0.03 0.00 -1.01 0.00 0.00 31.44 30.21 2pru n GLU 89 CO 0.00 0.00 0.00 1.25 0.09 0.00 0.00 177.13 178.47 2pru h HIS 90 N 0.00 0.72 0.00 -0.32 -0.00 -1.64 -3.47 115.15 110.43 2pru h HIS 90 Ca 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.38 2pru h HIS 90 Cb 0.00 -0.24 0.00 0.00 -0.00 0.00 0.00 27.41 27.17 2pru h HIS 90 CO 0.09 0.48 0.00 -0.85 -0.00 0.00 0.00 177.93 177.65