#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2occ s ILE 8 N 0.00 4.77 -0.28 -0.18 -4.36 -1.26 -4.94 121.20 114.95 2occ s ILE 8 Ca 0.00 -0.02 0.13 0.00 -0.26 0.00 0.00 60.65 60.50 2occ s ILE 8 Cb 0.00 -3.23 0.79 0.00 1.25 0.00 0.00 42.46 41.27 2occ s ILE 8 CO 0.00 0.33 1.70 0.29 0.24 0.00 0.00 174.94 177.50 2occ n LYS 9 N 4.71 4.72 -4.58 0.37 5.02 -1.26 -4.80 118.16 122.36 2occ n LYS 9 Ca -0.15 -3.02 -0.21 0.00 -2.02 0.00 0.00 58.31 52.90 2occ n LYS 9 Cb 0.52 -2.24 -0.15 0.00 -0.02 0.00 0.00 35.03 33.14 2occ n LYS 9 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2occ s ASN 10 N -0.75 1.50 0.00 4.39 4.22 -1.26 -4.96 114.94 118.08 2occ s ASN 10 Ca 0.52 -0.23 0.00 0.00 -2.14 0.00 0.00 52.86 51.01 2occ s ASN 10 Cb 0.40 -0.17 0.00 0.00 1.28 0.00 0.00 41.25 42.76 2occ s ASN 10 CO 0.15 0.16 0.00 0.00 -2.04 0.00 0.00 177.10 175.37 2occ n TYR 11 N 2.78 -0.23 -0.10 1.54 0.18 -1.26 -5.09 117.16 114.98 2occ n TYR 11 Ca -0.14 0.00 -0.13 0.00 1.88 0.00 0.00 57.90 59.51 2occ n TYR 11 Cb 0.56 0.00 -0.04 0.00 -0.38 0.00 0.00 39.34 39.47 2occ n TYR 11 CO 0.00 0.00 0.00 1.04 -2.08 0.00 0.00 176.86 175.82 2occ n GLN 12 N 0.00 0.54 -3.59 -3.48 1.13 -1.26 -5.10 117.38 105.62 2occ n GLN 12 Ca 0.00 0.23 -0.06 0.00 -1.94 0.00 0.00 57.00 55.24 2occ n GLN 12 Cb 0.00 -1.45 -0.02 0.00 0.11 0.00 0.00 30.24 28.88 2occ n GLN 12 CO 0.00 0.00 0.00 -0.08 -1.44 0.00 0.00 177.06 175.54 2occ s THR 13 N -2.81 0.00 -0.26 5.09 -1.32 -1.26 -5.11 115.64 109.97 2occ s THR 13 Ca -0.30 -0.17 -0.39 0.00 -1.21 0.00 0.00 61.69 59.62 2occ s THR 13 Cb 0.06 -1.32 -0.15 0.00 -1.51 0.00 0.00 72.50 69.58 2occ s THR 13 CO 0.43 0.00 1.81 0.00 -2.21 0.00 0.00 174.62 174.66 2occ n ALA 14 N -0.29 0.09 -1.53 11.08 0.00 -1.26 -4.94 120.51 123.66 2occ n ALA 14 Ca -0.06 0.33 -0.29 0.00 0.00 0.00 0.00 53.44 53.42 2occ n ALA 14 Cb 0.61 -2.29 0.16 0.00 0.00 0.00 0.00 19.45 17.93 2occ n ALA 14 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2occ s PRO 15 N 3.90 0.72 0.17 0.00 0.04 -1.26 -4.97 135.00 133.59 2occ s PRO 15 Ca 0.99 0.13 -0.32 0.00 0.04 0.00 0.00 61.00 61.84 2occ s PRO 15 Cb -1.00 -1.80 -0.11 0.00 0.04 0.00 0.00 34.50 31.63 2occ s PRO 15 CO 0.63 -2.45 1.68 0.12 0.04 0.00 0.00 177.00 177.01 2occ s PHE 16 N -3.33 2.80 -0.30 0.56 5.36 -1.26 -4.98 117.98 116.82 2occ s PHE 16 Ca 0.66 0.38 -0.02 0.00 -0.96 0.00 0.00 56.93 56.99 2occ s PHE 16 Cb -0.12 -4.05 0.05 0.00 -0.34 0.00 0.00 43.02 38.55 2occ s PHE 16 CO 0.54 -4.05 0.01 0.34 -1.46 0.00 0.00 175.22 170.60 2occ s ASP 17 N 1.53 4.94 0.41 6.13 -1.08 -1.26 -4.98 116.67 122.35 2occ s ASP 17 Ca 0.74 -1.23 0.23 0.00 -0.52 0.00 0.00 52.55 51.77 2occ s ASP 17 Cb -0.46 -1.73 1.24 0.00 -1.46 0.00 0.00 42.92 40.51 2occ s ASP 17 CO 0.32 -0.26 1.67 0.77 0.52 0.00 0.00 175.17 178.19 2occ h SER 18 N 8.03 0.00 1.31 -0.34 4.64 -1.99 0.26 113.55 125.46 2occ h SER 18 Ca -0.22 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.07 2occ h SER 18 Cb 1.07 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.15 2occ h SER 18 CO 0.54 0.00 -0.16 0.03 -0.87 0.00 0.00 176.83 176.37 2occ h ARG 19 N 0.00 0.00 -2.22 4.77 3.08 -2.02 -3.34 114.38 114.65 2occ h ARG 19 Ca 0.00 0.00 -0.58 0.00 0.07 0.00 0.00 59.98 59.47 2occ h ARG 19 Cb 0.28 0.00 -0.40 0.00 0.08 0.00 0.00 29.97 29.93 2occ h ARG 19 CO 0.00 0.16 -0.92 1.19 -1.07 0.00 0.00 179.97 179.33 2occ n PHE 20 N -3.22 0.66 1.52 3.04 3.72 0.90 -4.97 117.46 119.12 2occ n PHE 20 Ca 0.02 -3.70 0.14 0.00 -0.05 0.00 0.00 57.45 53.86 2occ n PHE 20 Cb 0.48 -0.28 0.64 0.00 -0.94 0.00 0.00 39.48 39.38 2occ n PHE 20 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 2occ n PRO 21 N 1.66 0.93 -3.54 -1.08 -0.04 -1.23 -4.65 135.00 127.06 2occ n PRO 21 Ca 0.25 -0.34 -0.23 0.00 -0.04 0.00 0.00 63.50 63.13 2occ n PRO 21 Cb 0.48 -1.49 0.02 0.00 -0.04 0.00 0.00 33.50 32.46 2occ n PRO 21 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2occ s ASN 22 N -2.30 4.85 0.50 3.54 0.01 -1.26 -5.01 114.94 115.27 2occ s ASN 22 Ca 0.34 -1.05 0.17 0.00 -0.71 0.00 0.00 52.86 51.61 2occ s ASN 22 Cb 0.21 0.28 1.24 0.00 0.41 0.00 0.00 41.25 43.38 2occ s ASN 22 CO 0.43 -1.15 2.08 1.56 -1.51 0.00 0.00 177.10 178.51 2occ h GLN 23 N 0.56 0.10 -6.41 -0.60 4.20 -2.06 -3.38 115.11 107.52 2occ h GLN 23 Ca -0.35 -0.01 -0.57 0.00 0.06 0.00 0.00 58.65 57.79 2occ h GLN 23 Cb 1.29 -0.02 -0.09 0.00 0.30 0.00 0.00 27.48 28.96 2occ h GLN 23 CO 0.51 0.07 0.83 1.21 -0.67 0.00 0.00 178.83 180.78 2occ s ASN 24 N -6.69 6.48 0.00 1.46 3.84 -1.26 -4.84 114.94 113.92 2occ s ASN 24 Ca -0.06 0.10 0.22 0.00 0.21 0.00 0.00 52.86 53.33 2occ s ASN 24 Cb 0.18 -2.52 0.49 0.00 -0.55 0.00 0.00 41.25 38.85 2occ s ASN 24 CO 0.70 -1.32 1.42 0.00 -2.79 0.00 0.00 177.10 175.11 2occ n GLN 25 N 7.94 2.56 -0.25 0.43 1.13 -1.26 -4.64 117.38 123.29 2occ n GLN 25 Ca 0.08 -2.38 0.03 0.00 -1.94 0.00 0.00 57.00 52.79 2occ n GLN 25 Cb 0.49 -1.50 0.11 0.00 0.11 0.00 0.00 30.24 29.45 2occ n GLN 25 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 2occ h THR 26 N 4.13 0.32 0.00 5.09 2.02 -1.96 0.18 112.91 122.69 2occ h THR 26 Ca 0.00 -0.02 -0.04 0.00 0.77 0.00 0.00 66.41 67.13 2occ h THR 26 Cb 0.95 0.27 -0.01 0.00 -1.74 0.00 0.00 68.15 67.62 2occ h THR 26 CO 0.00 0.01 -0.18 0.03 0.37 0.00 0.00 175.52 175.75 2occ h ARG 27 N 0.04 0.00 -0.30 6.66 3.08 -1.99 -2.54 114.38 119.33 2occ h ARG 27 Ca 0.37 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.39 2occ h ARG 27 Cb 0.61 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.65 2occ h ARG 27 CO -0.70 0.18 0.09 -0.97 -1.07 0.00 0.00 179.97 177.50 2occ h ASN 28 N 0.00 0.45 0.31 7.04 -0.73 -0.97 0.39 115.58 122.07 2occ h ASN 28 Ca -0.00 -0.22 -0.01 0.00 1.87 0.00 0.00 56.30 57.94 2occ h ASN 28 Cb 0.71 -0.12 0.00 0.00 0.27 0.00 0.00 38.32 39.19 2occ h ASN 28 CO 0.02 0.55 -0.15 0.00 -0.37 0.00 0.00 177.43 177.48 2occ h TRP 30 N -0.53 -0.38 0.23 0.00 2.91 -1.27 0.40 115.95 117.31 2occ h TRP 30 Ca -0.04 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.00 2occ h TRP 30 Cb 0.39 0.18 -0.02 0.00 -0.51 0.00 0.00 29.16 29.20 2occ h TRP 30 CO -0.03 -0.22 -0.22 0.37 -1.03 0.00 0.00 178.44 177.32 2occ h GLN 31 N -0.23 -0.46 -0.24 2.65 5.75 -0.27 -1.06 115.11 121.25 2occ h GLN 31 Ca 0.06 0.03 0.01 0.00 -0.15 0.00 0.00 58.65 58.60 2occ h GLN 31 Cb 0.31 0.10 -0.01 0.00 1.07 0.00 0.00 27.48 28.96 2occ h GLN 31 CO -0.17 -0.31 0.16 -0.91 -2.65 0.00 0.00 178.83 174.95 2occ h ASN 32 N -0.48 0.27 0.00 -0.69 2.35 -1.23 0.29 115.58 116.08 2occ h ASN 32 Ca -0.00 -0.01 -0.11 0.00 -0.55 0.00 0.00 56.30 55.63 2occ h ASN 32 Cb 0.44 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.73 2occ h ASN 32 CO -0.05 0.19 -0.34 0.22 -1.65 0.00 0.00 177.43 175.81 2occ h TYR 33 N 0.31 0.54 0.09 1.19 5.03 -0.31 -2.30 116.97 121.53 2occ h TYR 33 Ca 0.09 -0.14 -0.00 0.00 2.58 0.00 0.00 58.73 61.26 2occ h TYR 33 Cb -0.02 -0.12 0.00 0.00 1.55 0.00 0.00 36.73 38.14 2occ h TYR 33 CO -0.00 0.75 -0.04 -0.07 -1.32 0.00 0.00 178.16 177.48 2occ h LEU 34 N 0.40 -0.10 -1.12 2.82 3.38 0.42 -3.19 115.31 117.92 2occ h LEU 34 Ca 0.05 -0.49 0.28 0.00 0.09 0.00 0.00 57.88 57.81 2occ h LEU 34 Cb 0.78 0.03 -0.12 0.00 0.09 0.00 0.00 40.66 41.44 2occ h LEU 34 CO 0.06 0.54 0.63 0.44 0.09 0.00 0.00 178.44 180.19 2occ h ASP 35 N -0.85 0.55 0.42 -0.43 3.32 -0.53 -0.57 116.42 118.34 2occ h ASP 35 Ca -0.01 0.14 -0.02 0.00 0.02 0.00 0.00 57.03 57.15 2occ h ASP 35 Cb 0.58 0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.20 2occ h ASP 35 CO 0.02 0.02 -0.20 0.15 -1.72 0.00 0.00 179.24 177.51 2occ h PHE 36 N 0.44 -0.52 -0.19 4.55 3.57 -1.48 0.08 116.94 123.39 2occ h PHE 36 Ca 0.67 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 62.21 2occ h PHE 36 Cb 1.49 0.17 -0.01 0.00 2.79 0.00 0.00 35.95 40.40 2occ h PHE 36 CO -0.01 -0.32 0.29 0.45 -2.23 0.00 0.00 178.31 176.49 2occ h HIS 37 N -0.62 0.00 0.01 0.41 3.86 -1.39 0.63 115.15 118.06 2occ h HIS 37 Ca -0.06 0.00 -0.18 0.00 -1.16 0.00 0.00 60.37 58.97 2occ h HIS 37 Cb 0.43 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.91 2occ h HIS 37 CO 0.11 0.00 -0.71 0.00 0.86 0.00 0.00 177.93 178.19 2occ h ARG 38 N 0.00 0.47 -0.33 2.45 3.08 -0.98 -2.39 114.38 116.68 2occ h ARG 38 Ca 0.09 -0.51 -0.14 0.00 0.07 0.00 0.00 59.98 59.49 2occ h ARG 38 Cb 0.66 0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.85 2occ h ARG 38 CO -0.00 1.16 -0.35 0.00 -1.07 0.00 0.00 179.97 179.71 2occ h GLU 40 N 0.61 0.42 0.24 0.00 4.81 0.07 -1.72 114.58 119.01 2occ h GLU 40 Ca 0.06 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.26 2occ h GLU 40 Cb 0.88 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.16 2occ h GLU 40 CO 0.08 0.27 -0.20 0.87 -0.73 0.00 0.00 179.01 179.30 2occ h LYS 41 N 0.43 -0.41 -0.52 1.92 1.79 -1.30 -0.03 116.57 118.45 2occ h LYS 41 Ca 0.13 0.03 0.07 0.00 -2.18 0.00 0.00 60.65 58.70 2occ h LYS 41 Cb -0.03 0.09 -0.10 0.00 -1.58 0.00 0.00 32.23 30.62 2occ h LYS 41 CO -0.04 -0.27 -0.47 0.00 -1.08 0.00 0.00 179.45 177.58 2occ h ALA 42 N -1.48 -0.48 -0.57 3.86 0.00 -1.43 0.48 119.26 119.64 2occ h ALA 42 Ca -0.03 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2occ h ALA 42 Cb 0.36 1.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.13 2occ h ALA 42 CO -0.00 -0.90 0.36 0.52 0.00 0.00 0.00 179.25 179.22 2occ h MET 43 N -0.28 0.76 -0.00 0.00 2.86 -1.34 0.13 114.93 117.06 2occ h MET 43 Ca 0.14 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 2occ h MET 43 Cb 0.57 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 32.06 2occ h MET 43 CO -0.65 0.53 -0.28 -2.37 1.06 0.00 0.00 176.91 175.19 2occ n THR 44 N -4.43 0.00 -0.13 2.22 5.66 -0.03 0.15 114.28 117.72 2occ n THR 44 Ca 0.05 -0.01 -0.26 0.00 -3.05 0.00 0.00 64.05 60.79 2occ n THR 44 Cb 0.06 -0.06 -0.09 0.00 -1.55 0.00 0.00 70.33 68.70 2occ n THR 44 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2occ n ALA 45 N -1.46 1.13 0.86 1.79 0.00 0.16 -4.45 120.51 118.53 2occ n ALA 45 Ca 0.07 -1.04 -0.01 0.00 0.00 0.00 0.00 53.44 52.45 2occ n ALA 45 Cb 0.33 0.11 0.01 0.00 0.00 0.00 0.00 19.45 19.90 2occ n ALA 45 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2occ n LYS 46 N -4.30 1.07 -4.00 0.00 5.02 0.37 -4.81 118.16 111.52 2occ n LYS 46 Ca -0.46 -0.17 -0.32 0.00 -2.02 0.00 0.00 58.31 55.34 2occ n LYS 46 Cb 0.81 -1.07 0.01 0.00 -0.02 0.00 0.00 35.03 34.76 2occ n LYS 46 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2occ n GLY 47 N 0.41 -0.46 0.00 0.72 0.00 -1.25 -4.96 105.19 99.64 2occ n GLY 47 Ca 0.03 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.23 2occ n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2occ n GLY 48 N -1.61 2.86 3.56 -0.02 0.00 0.12 -5.04 105.19 105.06 2occ n GLY 48 Ca 0.02 -2.10 -0.42 0.00 0.00 0.00 0.00 46.02 43.52 2occ n GLY 48 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2occ s ASP 49 N -0.79 6.44 0.37 1.61 2.15 -1.26 -4.59 116.67 120.59 2occ s ASP 49 Ca 0.00 0.10 0.26 0.00 0.43 0.00 0.00 52.55 53.34 2occ s ASP 49 Cb 0.00 -2.35 0.79 0.00 -0.30 0.00 0.00 42.92 41.07 2occ s ASP 49 CO 0.00 -0.68 1.75 0.58 -0.17 0.00 0.00 175.17 176.65 2occ h VAL 50 N 5.75 0.00 0.00 1.11 2.07 -1.94 -3.22 116.25 120.03 2occ h VAL 50 Ca -0.26 -0.63 0.00 0.00 0.82 0.00 0.00 66.70 66.64 2occ h VAL 50 Cb 1.10 1.58 0.00 0.00 -1.52 0.00 0.00 31.29 32.46 2occ h VAL 50 CO 0.87 0.00 0.00 -1.20 0.02 0.00 0.00 177.57 177.26 2occ n SER 51 N -2.72 0.43 0.15 0.57 7.64 -1.26 -1.54 113.62 116.89 2occ n SER 51 Ca 0.03 0.63 0.01 0.00 1.01 0.00 0.00 58.87 60.55 2occ n SER 51 Cb 0.41 -0.71 0.23 0.00 -1.01 0.00 0.00 64.21 63.12 2occ n SER 51 CO 0.00 0.00 0.00 -0.37 -3.01 0.00 0.00 175.04 171.66 2occ h VAL 52 N 0.00 1.29 0.00 0.44 -1.51 -1.98 -2.95 116.25 111.54 2occ h VAL 52 Ca 0.00 -1.90 0.00 0.00 -1.23 0.00 0.00 66.70 63.57 2occ h VAL 52 Cb 0.22 2.05 0.00 0.00 -2.13 0.00 0.00 31.29 31.43 2occ h VAL 52 CO 0.00 0.53 0.00 0.00 -1.23 0.00 0.00 177.57 176.87 2occ h GLU 54 N 0.00 0.10 -0.77 0.00 4.57 -1.62 -3.15 114.58 113.72 2occ h GLU 54 Ca 0.00 -0.01 0.11 0.00 -1.18 0.00 0.00 59.36 58.28 2occ h GLU 54 Cb 0.14 -0.02 -0.12 0.00 -0.16 0.00 0.00 28.75 28.59 2occ h GLU 54 CO 0.00 0.06 -0.44 2.35 -1.18 0.00 0.00 179.01 179.80 2occ h TRP 55 N 0.10 -1.31 -0.75 0.92 2.91 -1.82 -0.05 115.95 115.94 2occ h TRP 55 Ca 0.08 0.10 0.08 0.00 1.13 0.00 0.00 58.89 60.28 2occ h TRP 55 Cb 0.08 0.68 -0.05 0.00 -0.51 0.00 0.00 29.16 29.36 2occ h TRP 55 CO -0.14 -0.41 0.49 1.88 -1.03 0.00 0.00 178.44 179.23 2occ h TYR 56 N -0.12 0.75 -0.19 2.65 0.05 -1.85 -1.47 116.97 116.79 2occ h TYR 56 Ca 0.23 0.02 -0.15 0.00 0.05 0.00 0.00 58.73 58.87 2occ h TYR 56 Cb 0.55 -0.25 -0.01 0.00 1.01 0.00 0.00 36.73 38.03 2occ h TYR 56 CO -0.81 0.37 -0.51 -0.09 -1.05 0.00 0.00 178.16 176.08 2occ h ARG 57 N 0.72 0.54 0.24 4.88 2.43 -1.02 -0.02 114.38 122.15 2occ h ARG 57 Ca 0.34 -0.32 -0.01 0.00 -0.81 0.00 0.00 59.98 59.18 2occ h ARG 57 Cb 0.38 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 2occ h ARG 57 CO -0.12 0.92 -0.12 0.00 -1.51 0.00 0.00 179.97 179.14 2occ h ARG 58 N 0.42 -0.32 0.10 0.20 2.47 -0.42 -0.88 114.38 115.96 2occ h ARG 58 Ca 0.02 0.02 0.02 0.00 -1.26 0.00 0.00 59.98 58.78 2occ h ARG 58 Cb 1.03 0.07 -0.03 0.00 -1.65 0.00 0.00 29.97 29.39 2occ h ARG 58 CO 0.09 -0.05 -0.24 0.28 0.56 0.00 0.00 179.97 180.62 2occ h VAL 59 N -0.56 0.47 0.00 2.04 2.07 -1.26 0.97 116.25 119.99 2occ h VAL 59 Ca -0.03 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.45 2occ h VAL 59 Cb 0.41 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 2occ h VAL 59 CO 0.06 0.00 -0.18 0.10 0.02 0.00 0.00 177.57 177.57 2occ h TYR 60 N -0.43 0.00 -0.32 1.57 -0.00 -1.02 -1.73 116.97 115.05 2occ h TYR 60 Ca 0.03 0.00 -0.14 0.00 0.00 0.00 0.00 58.73 58.62 2occ h TYR 60 Cb 0.46 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.18 2occ h TYR 60 CO -0.22 0.18 -0.33 0.87 -0.00 0.00 0.00 178.16 178.65 2occ h LYS 61 N 0.00 0.80 -0.00 0.10 1.79 -0.15 0.13 116.57 119.23 2occ h LYS 61 Ca -0.00 -0.43 -0.00 0.00 -2.18 0.00 0.00 60.65 58.04 2occ h LYS 61 Cb 0.34 0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 31.00 2occ h LYS 61 CO 0.02 1.06 0.00 0.77 -1.08 0.00 0.00 179.45 180.22 2occ h SER 62 N 0.57 0.01 0.37 0.86 0.02 -0.18 -3.36 113.55 111.84 2occ h SER 62 Ca 0.05 -0.09 -0.32 0.00 -0.84 0.00 0.00 61.79 60.59 2occ h SER 62 Cb 0.92 -0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.46 2occ h SER 62 CO 0.08 0.09 -1.56 -0.07 -1.14 0.00 0.00 176.83 174.23 2occ h LEU 63 N -0.08 0.53 -9.63 5.07 3.38 -1.35 -3.47 115.31 109.75 2occ h LEU 63 Ca 0.00 -0.70 -0.52 0.00 0.09 0.00 0.00 57.88 56.76 2occ h LEU 63 Cb 0.09 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.67 2occ h LEU 63 CO -0.00 1.57 0.47 0.00 0.09 0.00 0.00 178.44 180.57 2occ s PRO 65 N -0.23 3.35 0.25 0.00 0.02 -1.26 -4.87 135.00 132.25 2occ s PRO 65 Ca 0.50 1.93 -0.03 0.00 0.02 0.00 0.00 61.00 63.41 2occ s PRO 65 Cb -0.29 -2.23 0.45 0.00 0.02 0.00 0.00 34.50 32.46 2occ s PRO 65 CO 0.34 -0.93 1.78 0.82 -0.33 0.00 0.00 177.00 178.68 2occ h ILE 66 N 1.47 0.80 -0.28 2.83 2.04 -1.94 -1.81 117.51 120.62 2occ h ILE 66 Ca -0.50 -0.23 -0.02 0.00 1.00 0.00 0.00 64.86 65.12 2occ h ILE 66 Cb 1.28 0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 37.43 2occ h ILE 66 CO 0.58 0.12 0.10 0.28 0.00 0.00 0.00 178.15 179.23 2occ h SER 67 N 0.66 0.34 -0.02 1.72 0.02 -1.99 0.40 113.55 114.68 2occ h SER 67 Ca 0.42 -0.03 -0.03 0.00 -0.84 0.00 0.00 61.79 61.32 2occ h SER 67 Cb 0.52 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.97 2occ h SER 67 CO -0.31 0.32 -0.09 -0.50 -1.14 0.00 0.00 176.83 175.11 2occ h TRP 68 N 0.39 0.13 -0.45 3.45 4.06 -1.71 -2.00 115.95 119.81 2occ h TRP 68 Ca 0.10 -0.06 0.02 0.00 2.06 0.00 0.00 58.89 61.01 2occ h TRP 68 Cb 0.09 -0.02 -0.03 0.00 -1.00 0.00 0.00 29.16 28.20 2occ h TRP 68 CO 0.00 0.73 0.27 0.28 -3.56 0.00 0.00 178.44 176.16 2occ h VAL 69 N -0.50 1.06 0.16 1.49 2.07 -1.19 0.04 116.25 119.38 2occ h VAL 69 Ca -0.00 -0.19 0.01 0.00 0.82 0.00 0.00 66.70 67.33 2occ h VAL 69 Cb 0.73 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 2occ h VAL 69 CO 0.02 0.10 -0.17 0.28 0.02 0.00 0.00 177.57 177.82 2occ h SER 70 N 0.55 -0.45 -0.69 0.57 0.02 -0.97 -0.29 113.55 112.30 2occ h SER 70 Ca 0.18 0.04 -0.04 0.00 -0.84 0.00 0.00 61.79 61.13 2occ h SER 70 Cb 0.00 0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.67 2occ h SER 70 CO -0.08 -0.25 0.27 0.71 -1.14 0.00 0.00 176.83 176.34 2occ h THR 71 N -0.36 1.25 -0.57 -2.27 1.35 -1.16 -0.46 112.91 110.70 2occ h THR 71 Ca 0.01 -0.79 -0.07 0.00 -0.55 0.00 0.00 66.41 65.01 2occ h THR 71 Cb 0.34 0.41 -0.02 0.00 -1.73 0.00 0.00 68.15 67.15 2occ h THR 71 CO -0.05 0.32 0.09 -0.50 -0.25 0.00 0.00 175.52 175.13 2occ h TRP 72 N 1.04 0.99 -0.19 4.73 6.55 -0.76 -1.22 115.95 127.10 2occ h TRP 72 Ca 0.24 -0.14 -0.01 0.00 0.95 0.00 0.00 58.89 59.93 2occ h TRP 72 Cb 0.22 -0.27 -0.01 0.00 -0.86 0.00 0.00 29.16 28.24 2occ h TRP 72 CO 0.02 0.87 0.08 -0.44 -1.05 0.00 0.00 178.44 177.92 2occ h ASP 73 N 0.83 0.26 -0.61 -3.49 3.32 -0.79 0.83 116.42 116.77 2occ h ASP 73 Ca 0.17 -0.16 0.08 0.00 0.02 0.00 0.00 57.03 57.15 2occ h ASP 73 Cb 0.41 -0.07 -0.04 0.00 0.22 0.00 0.00 39.33 39.86 2occ h ASP 73 CO 0.01 0.34 0.41 0.44 -1.72 0.00 0.00 179.24 178.72 2occ h ASP 74 N 0.15 0.44 0.32 6.45 5.19 -0.91 -1.78 116.42 126.28 2occ h ASP 74 Ca 0.06 0.01 -0.27 0.00 -0.62 0.00 0.00 57.03 56.21 2occ h ASP 74 Cb 0.17 -0.09 0.01 0.00 0.18 0.00 0.00 39.33 39.60 2occ h ASP 74 CO -0.01 0.27 -1.14 0.03 -3.12 0.00 0.00 179.24 175.28 2occ h ARG 75 N 0.49 0.47 -0.39 3.56 3.08 -0.68 -1.68 114.38 119.23 2occ h ARG 75 Ca 0.28 -0.61 -0.05 0.00 0.07 0.00 0.00 59.98 59.67 2occ h ARG 75 Cb 0.44 0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.67 2occ h ARG 75 CO -0.08 1.25 0.04 0.00 -1.07 0.00 0.00 179.97 180.11 2occ h ARG 76 N 0.21 0.59 -0.30 0.04 3.08 -0.27 0.38 114.38 118.12 2occ h ARG 76 Ca -0.14 -0.12 -0.18 0.00 0.07 0.00 0.00 59.98 59.62 2occ h ARG 76 Cb 1.81 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 31.77 2occ h ARG 76 CO 0.20 0.59 -0.50 0.00 -1.07 0.00 0.00 179.97 179.19 2occ h ALA 77 N 1.48 0.46 0.00 0.04 0.00 -1.34 -3.13 119.26 116.77 2occ h ALA 77 Ca 0.13 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.54 2occ h ALA 77 Cb 0.31 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2occ h ALA 77 CO 0.01 0.65 0.00 1.49 0.00 0.00 0.00 179.25 181.39 2occ h GLU 78 N 0.65 0.00 0.00 0.00 4.81 -0.86 -3.47 114.58 115.72 2occ h GLU 78 Ca 0.02 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 2occ h GLU 78 Cb 1.11 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.49 2occ h GLU 78 CO 0.11 0.00 0.00 0.41 -0.73 0.00 0.00 179.01 178.80 2occ n GLY 79 N 0.41 0.75 1.38 1.92 0.00 0.01 -4.95 105.19 104.71 2occ n GLY 79 Ca 0.03 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.13 2occ n GLY 79 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2occ n THR 80 N -2.12 2.08 -2.23 2.61 -2.24 -0.53 -4.95 114.28 106.90 2occ n THR 80 Ca 0.00 -1.40 -0.43 0.00 -2.27 0.00 0.00 64.05 59.95 2occ n THR 80 Cb 0.00 -0.02 -0.02 0.00 -2.10 0.00 0.00 70.33 68.18 2occ n THR 80 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 2occ s PHE 81 N -2.22 2.32 0.48 4.78 5.36 -1.07 -4.88 117.98 122.74 2occ s PHE 81 Ca 0.47 0.67 0.36 0.00 -0.96 0.00 0.00 56.93 57.46 2occ s PHE 81 Cb 0.33 -3.97 1.90 0.00 -0.34 0.00 0.00 43.02 40.95 2occ s PHE 81 CO 0.18 -2.47 2.21 -1.00 -1.46 0.00 0.00 175.22 172.68 2occ h PRO 82 N 10.26 0.00 -7.36 10.12 0.13 -1.93 -3.44 132.00 139.77 2occ h PRO 82 Ca -0.31 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.31 2occ h PRO 82 Cb 1.13 0.00 0.08 0.00 0.13 0.00 0.00 31.00 32.34 2occ h PRO 82 CO 1.02 0.03 0.40 0.20 -0.23 0.00 0.00 178.00 179.41 2occ s GLY 83 N -4.16 1.66 -0.37 1.56 0.00 -1.26 -5.01 107.32 99.74 2occ s GLY 83 Ca -0.03 -0.03 -0.19 0.00 0.00 0.00 0.00 44.72 44.47 2occ s GLY 83 CO 0.50 0.26 0.53 0.54 0.00 0.00 0.00 173.10 174.93 2occ s LYS 84 N -5.13 3.50 0.00 2.90 3.01 -1.26 -5.16 119.74 117.60 2occ s LYS 84 Ca 0.57 -0.26 0.07 0.00 -1.01 0.00 0.00 55.97 55.33 2occ s LYS 84 Cb -0.12 -3.85 0.05 0.00 -1.01 0.00 0.00 37.83 32.90 2occ s LYS 84 CO 0.54 -0.73 0.72 -0.89 0.51 0.00 0.00 175.35 175.50