#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pcp n LYS 2 N 0.00 -4.83 -1.53 3.49 4.01 -1.20 -4.91 118.16 113.19 1pcp n LYS 2 Ca 0.00 3.49 -0.29 0.00 -0.51 0.00 0.00 58.31 60.99 1pcp n LYS 2 Cb 0.00 -3.83 0.18 0.00 -0.51 0.00 0.00 35.03 30.86 1pcp n LYS 2 CO 0.00 0.00 0.00 -1.25 -1.11 0.00 0.00 177.40 175.04 1pcp s PRO 3 N -2.22 0.36 0.27 1.97 0.04 -1.26 -4.84 135.00 129.32 1pcp s PRO 3 Ca 0.00 -0.01 0.03 0.00 0.04 0.00 0.00 61.00 61.06 1pcp s PRO 3 Cb 0.00 -1.78 0.70 0.00 0.04 0.00 0.00 34.50 33.46 1pcp s PRO 3 CO 0.00 -2.67 1.37 0.00 0.04 0.00 0.00 177.00 175.74 1pcp n ALA 4 N -4.04 0.47 0.00 8.56 0.00 -1.26 -4.72 120.51 119.53 1pcp n ALA 4 Ca 0.11 0.93 0.00 0.00 0.00 0.00 0.00 53.44 54.48 1pcp n ALA 4 Cb 0.59 -0.70 0.00 0.00 0.00 0.00 0.00 19.45 19.35 1pcp n ALA 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pcp n ALA 5 N -3.17 0.00 0.85 0.00 0.00 -1.26 -4.81 120.51 112.12 1pcp n ALA 5 Ca 0.21 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.69 1pcp n ALA 5 Cb 0.70 0.00 0.13 0.00 0.00 0.00 0.00 19.45 20.28 1pcp n ALA 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pcp n ARG 7 N 0.27 0.41 -0.01 0.00 0.00 -1.26 -4.48 116.66 111.59 1pcp n ARG 7 Ca 0.09 -1.50 -0.03 0.00 -0.00 0.00 0.00 57.85 56.42 1pcp n ARG 7 Cb 0.36 -0.82 -0.01 0.00 -0.00 0.00 0.00 32.46 31.99 1pcp n ARG 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1pcp n SER 9 N -3.23 1.46 -0.03 0.00 3.41 -1.24 -3.60 113.62 110.39 1pcp n SER 9 Ca -0.06 -1.49 0.04 0.00 -0.26 0.00 0.00 58.87 57.10 1pcp n SER 9 Cb 0.46 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.27 1pcp n SER 9 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1pcp n ARG 10 N 0.14 0.77 -0.43 4.33 3.00 -1.26 -4.93 116.66 118.29 1pcp n ARG 10 Ca 0.19 -0.12 -0.13 0.00 -0.00 0.00 0.00 57.85 57.79 1pcp n ARG 10 Cb 0.35 -1.43 0.13 0.00 0.00 0.00 0.00 32.46 31.51 1pcp n ARG 10 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 1pcp n GLN 11 N -2.28 -1.24 -3.93 -0.14 6.02 -1.24 -4.77 117.38 109.80 1pcp n GLN 11 Ca -0.11 -0.64 -0.32 0.00 -0.01 0.00 0.00 57.00 55.93 1pcp n GLN 11 Cb 0.65 -1.27 -0.05 0.00 1.02 0.00 0.00 30.24 30.59 1pcp n GLN 11 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1pcp s ASP 12 N -1.97 6.28 -1.13 1.08 -1.08 -1.26 -5.01 116.67 113.58 1pcp s ASP 12 Ca 0.29 0.27 -0.22 0.00 -0.52 0.00 0.00 52.55 52.37 1pcp s ASP 12 Cb -0.05 -1.93 -0.00 0.00 -1.46 0.00 0.00 42.92 39.48 1pcp s ASP 12 CO 0.24 0.20 1.78 -2.16 0.52 0.00 0.00 175.17 175.75 1pcp s PRO 13 N -2.29 3.19 0.00 4.34 0.04 -1.26 -4.04 135.00 134.97 1pcp s PRO 13 Ca 0.32 -1.23 0.00 0.00 0.04 0.00 0.00 61.00 60.13 1pcp s PRO 13 Cb -0.13 -5.32 0.00 0.00 0.04 0.00 0.00 34.50 29.09 1pcp s PRO 13 CO 0.24 -2.97 0.00 1.17 0.04 0.00 0.00 177.00 175.48 1pcp n LYS 14 N 8.56 0.00 0.00 4.56 4.81 -1.26 -4.97 118.16 129.86 1pcp n LYS 14 Ca 0.43 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.87 1pcp n LYS 14 Cb 0.47 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.52 1pcp n LYS 14 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1pcp n ASN 15 N 0.00 0.00 -4.66 3.14 3.02 -1.26 -5.14 115.26 110.37 1pcp n ASN 15 Ca 0.00 0.00 -0.24 0.00 -0.03 0.00 0.00 54.58 54.31 1pcp n ASN 15 Cb 0.00 0.04 -0.07 0.00 -0.61 0.00 0.00 39.78 39.13 1pcp n ASN 15 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1pcp s ARG 16 N -1.07 2.37 0.58 3.52 1.81 -1.26 -5.13 118.95 119.77 1pcp s ARG 16 Ca 0.00 -1.26 -0.10 0.00 -1.72 0.00 0.00 55.73 52.65 1pcp s ARG 16 Cb 0.00 -2.27 0.13 0.00 -0.45 0.00 0.00 34.95 32.37 1pcp s ARG 16 CO 0.00 0.41 0.79 0.28 -0.68 0.00 0.00 175.30 176.10 1pcp n VAL 17 N -0.57 0.00 -3.23 3.52 0.31 -1.26 -4.72 118.33 112.37 1pcp n VAL 17 Ca -0.08 -0.58 -0.27 0.00 -0.01 0.00 0.00 64.34 63.40 1pcp n VAL 17 Cb 0.57 -1.71 -0.02 0.00 -0.91 0.00 0.00 33.84 31.77 1pcp n VAL 17 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1pcp s ASN 18 N -3.89 6.38 -0.28 4.52 2.20 -1.26 -3.96 114.94 118.64 1pcp s ASN 18 Ca 0.45 0.69 0.21 0.00 -0.94 0.00 0.00 52.86 53.27 1pcp s ASN 18 Cb -0.01 -2.13 0.49 0.00 -2.00 0.00 0.00 41.25 37.59 1pcp s ASN 18 CO 0.31 -0.29 1.05 0.00 -2.94 0.00 0.00 177.10 175.24 1pcp n GLY 20 N -0.41 1.26 3.18 0.00 0.00 -1.24 -4.71 105.19 103.27 1pcp n GLY 20 Ca 0.08 -0.18 -0.11 0.00 0.00 0.00 0.00 46.02 45.81 1pcp n GLY 20 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1pcp s PHE 21 N -0.44 1.01 -2.00 1.61 -0.71 -1.26 -5.02 117.98 111.17 1pcp s PHE 21 Ca 0.00 -1.22 0.18 0.00 -1.04 0.00 0.00 56.93 54.85 1pcp s PHE 21 Cb 0.00 -0.56 1.10 0.00 -1.21 0.00 0.00 43.02 42.35 1pcp s PHE 21 CO 0.00 -0.48 1.55 -0.35 -1.34 0.00 0.00 175.22 174.60 1pcp n PRO 22 N -0.17 0.75 -0.06 1.99 -0.04 -1.26 -2.06 135.00 134.16 1pcp n PRO 22 Ca -0.04 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.45 1pcp n PRO 22 Cb 0.64 -1.38 0.06 0.00 -0.04 0.00 0.00 33.50 32.78 1pcp n PRO 22 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1pcp n GLY 23 N 0.44 1.85 3.45 0.55 0.00 -1.26 -5.04 105.19 105.19 1pcp n GLY 23 Ca 0.14 -0.17 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 1pcp n GLY 23 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1pcp s ILE 24 N -0.85 1.73 -0.27 -0.61 2.07 -0.87 -4.98 121.20 117.42 1pcp s ILE 24 Ca 0.10 0.00 0.16 0.00 -1.41 0.00 0.00 60.65 59.50 1pcp s ILE 24 Cb 0.05 -2.13 0.49 0.00 0.13 0.00 0.00 42.46 41.00 1pcp s ILE 24 CO 0.07 0.00 1.15 0.35 -1.91 0.00 0.00 174.94 174.60 1pcp n THR 25 N -5.11 1.79 0.00 4.00 -2.24 -1.26 -5.02 114.28 106.45 1pcp n THR 25 Ca 0.06 -3.44 0.00 0.00 -2.27 0.00 0.00 64.05 58.40 1pcp n THR 25 Cb 0.57 0.25 0.00 0.00 -2.10 0.00 0.00 70.33 69.05 1pcp n THR 25 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1pcp n SER 26 N -0.63 0.00 -0.03 3.42 3.41 -1.26 -4.14 113.62 114.38 1pcp n SER 26 Ca 0.23 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.83 1pcp n SER 26 Cb 0.88 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.82 1pcp n SER 26 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1pcp n ASP 27 N 0.67 -0.07 0.06 4.04 8.00 -1.26 0.32 116.55 128.31 1pcp n ASP 27 Ca 0.00 0.99 0.19 0.00 0.71 0.00 0.00 54.79 56.68 1pcp n ASP 27 Cb 0.00 -0.45 0.54 0.00 -0.02 0.00 0.00 41.12 41.19 1pcp n ASP 27 CO 0.00 0.00 0.00 1.56 -0.39 0.00 0.00 177.20 178.37 1pcp h GLN 28 N 0.00 0.00 0.11 -1.24 1.08 -1.98 1.86 115.11 114.94 1pcp h GLN 28 Ca 0.01 0.00 -0.34 0.00 -1.45 0.00 0.00 58.65 56.87 1pcp h GLN 28 Cb 0.03 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.44 1pcp h GLN 28 CO -0.07 0.00 -1.84 0.00 -0.95 0.00 0.00 178.83 175.97 1pcp n PHE 30 N -3.42 1.33 0.47 0.00 3.72 0.97 -3.03 117.46 117.50 1pcp n PHE 30 Ca -0.26 -1.58 0.00 0.00 -0.05 0.00 0.00 57.45 55.56 1pcp n PHE 30 Cb 1.05 -0.78 0.00 0.00 -0.94 0.00 0.00 39.48 38.81 1pcp n PHE 30 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 1pcp n THR 31 N 0.26 0.00 -0.89 4.37 -1.04 -0.62 -3.23 114.28 113.12 1pcp n THR 31 Ca 0.26 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.27 1pcp n THR 31 Cb 0.71 -0.23 0.00 0.00 -1.82 0.00 0.00 70.33 68.99 1pcp n THR 31 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1pcp n SER 32 N 0.23 0.00 -0.06 8.00 2.88 -1.26 -4.30 113.62 119.11 1pcp n SER 32 Ca 0.00 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.42 1pcp n SER 32 Cb 0.11 -0.14 -0.04 0.00 -0.75 0.00 0.00 64.21 63.39 1pcp n SER 32 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1pcp n GLY 33 N -2.00 -0.34 3.85 0.46 0.00 -1.26 -4.63 105.19 101.27 1pcp n GLY 33 Ca 0.00 -0.16 -0.21 0.00 0.00 0.00 0.00 46.02 45.64 1pcp n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pcp s PHE 36 N -2.47 -0.94 -0.16 0.00 5.36 -1.26 -2.02 117.98 116.50 1pcp s PHE 36 Ca 0.47 0.44 -0.14 0.00 -0.96 0.00 0.00 56.93 56.74 1pcp s PHE 36 Cb -0.03 -0.12 -0.05 0.00 -0.34 0.00 0.00 43.02 42.49 1pcp s PHE 36 CO 0.27 -0.91 -0.27 -3.47 -1.46 0.00 0.00 175.22 169.38 1pcp n ASP 37 N 5.35 1.78 0.00 6.13 -0.08 -0.84 -4.85 116.55 124.04 1pcp n ASP 37 Ca -0.01 0.42 0.00 0.00 -1.51 0.00 0.00 54.79 53.69 1pcp n ASP 37 Cb 0.49 -0.77 0.00 0.00 2.34 0.00 0.00 41.12 43.18 1pcp n ASP 37 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 1pcp n SER 38 N -4.38 0.00 0.14 1.67 3.41 -1.25 -4.58 113.62 108.62 1pcp n SER 38 Ca -0.11 0.00 0.04 0.00 -0.26 0.00 0.00 58.87 58.54 1pcp n SER 38 Cb 0.40 0.00 0.23 0.00 -0.26 0.00 0.00 64.21 64.58 1pcp n SER 38 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1pcp n GLN 39 N 0.00 0.06 -3.58 4.33 6.02 -1.26 -3.52 117.38 119.43 1pcp n GLN 39 Ca 0.00 0.50 -0.40 0.00 -0.01 0.00 0.00 57.00 57.08 1pcp n GLN 39 Cb 0.00 -2.09 -0.09 0.00 1.02 0.00 0.00 30.24 29.09 1pcp n GLN 39 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1pcp s VAL 40 N -3.12 4.11 0.16 5.09 1.01 -1.26 -5.07 120.40 121.32 1pcp s VAL 40 Ca -0.01 -1.91 -0.30 0.00 0.00 0.00 0.00 61.98 59.76 1pcp s VAL 40 Cb 0.02 -3.71 -0.07 0.00 0.00 0.00 0.00 36.38 32.62 1pcp s VAL 40 CO 0.08 -0.78 1.13 -2.16 0.00 0.00 0.00 175.10 173.36 1pcp s PRO 41 N 1.22 4.55 0.00 2.72 0.04 -1.23 -3.26 135.00 139.04 1pcp s PRO 41 Ca 0.07 1.74 0.00 0.00 0.04 0.00 0.00 61.00 62.86 1pcp s PRO 41 Cb -0.25 -3.29 0.00 0.00 0.04 0.00 0.00 34.50 31.01 1pcp s PRO 41 CO -0.02 -0.01 0.00 0.41 0.04 0.00 0.00 177.00 177.43 1pcp n GLY 42 N 2.26 2.78 4.00 0.56 0.00 -1.26 -5.04 105.19 108.48 1pcp n GLY 42 Ca 0.04 -0.59 -0.23 0.00 0.00 0.00 0.00 46.02 45.24 1pcp n GLY 42 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1pcp s VAL 43 N -1.38 2.02 -0.17 1.61 -7.23 -1.20 -5.03 120.40 109.02 1pcp s VAL 43 Ca 0.00 -0.65 -0.29 0.00 -1.81 0.00 0.00 61.98 59.22 1pcp s VAL 43 Cb 0.00 -2.37 -0.01 0.00 0.56 0.00 0.00 36.38 34.56 1pcp s VAL 43 CO 0.00 0.00 1.28 -2.16 -0.31 0.00 0.00 175.10 173.91 1pcp s PRO 44 N -5.14 4.20 -0.05 4.82 0.04 -1.26 -4.92 135.00 132.69 1pcp s PRO 44 Ca 0.68 1.65 -0.25 0.00 0.04 0.00 0.00 61.00 63.11 1pcp s PRO 44 Cb -0.04 -3.78 -0.20 0.00 0.04 0.00 0.00 34.50 30.51 1pcp s PRO 44 CO 0.45 -0.75 1.05 -1.49 0.04 0.00 0.00 177.00 176.29 1pcp h TRP 45 N 8.36 -0.07 -3.15 0.56 4.06 -1.92 -3.40 115.95 120.39 1pcp h TRP 45 Ca -0.27 -0.00 -0.68 0.00 2.06 0.00 0.00 58.89 60.00 1pcp h TRP 45 Cb 1.11 0.02 -0.18 0.00 -1.00 0.00 0.00 29.16 29.11 1pcp h TRP 45 CO 0.81 0.50 0.13 0.00 -3.56 0.00 0.00 178.44 176.32 1pcp n PHE 47 N 6.39 0.00 -2.75 0.00 -1.74 -0.85 0.31 117.46 118.82 1pcp n PHE 47 Ca -0.06 0.00 -0.26 0.00 -0.56 0.00 0.00 57.45 56.57 1pcp n PHE 47 Cb 0.45 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.45 1pcp n PHE 47 CO 0.00 0.00 0.00 0.15 -0.56 0.00 0.00 176.76 176.35 1pcp s LYS 48 N -0.84 3.36 0.70 3.97 -0.14 -1.25 0.51 119.74 126.03 1pcp s LYS 48 Ca 0.00 -0.01 -0.11 0.00 -1.36 0.00 0.00 55.97 54.49 1pcp s LYS 48 Cb 0.00 -2.43 0.01 0.00 -1.68 0.00 0.00 37.83 33.73 1pcp s LYS 48 CO 0.00 -0.25 1.06 -1.25 -0.76 0.00 0.00 175.35 174.15 1pcp s PRO 49 N -4.70 2.94 -0.61 -1.68 0.04 -1.26 -4.49 135.00 125.24 1pcp s PRO 49 Ca 0.48 0.96 0.06 0.00 0.04 0.00 0.00 61.00 62.53 1pcp s PRO 49 Cb -0.10 -1.99 0.27 0.00 0.04 0.00 0.00 34.50 32.71 1pcp s PRO 49 CO 0.43 -1.10 0.77 -0.11 0.04 0.00 0.00 177.00 177.02 1pcp n LEU 50 N -3.13 3.61 -4.77 -3.56 0.00 -1.00 -5.04 117.00 103.10 1pcp n LEU 50 Ca 0.08 -5.43 -0.29 0.00 0.00 0.00 0.00 56.01 50.36 1pcp n LEU 50 Cb 0.53 -0.54 0.18 0.00 0.00 0.00 0.00 43.42 43.59 1pcp n LEU 50 CO 0.56 2.11 0.74 -2.16 0.00 0.00 0.00 177.39 178.63 1pcp s PRO 51 N -2.56 0.35 0.00 1.96 0.04 -1.26 -4.64 135.00 128.88 1pcp s PRO 51 Ca 0.41 -0.01 0.00 0.00 0.04 0.00 0.00 61.00 61.44 1pcp s PRO 51 Cb 0.18 -1.77 0.00 0.00 0.04 0.00 0.00 34.50 32.94 1pcp s PRO 51 CO -0.04 -2.68 0.00 0.00 0.04 0.00 0.00 177.00 174.32 1pcp n ALA 52 N -4.04 0.00 0.00 8.56 0.00 -1.26 -5.02 120.51 118.75 1pcp n ALA 52 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.55 1pcp n ALA 52 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.04 1pcp n ALA 52 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1pcp n GLN 53 N 0.00 0.00 -0.01 0.00 1.13 -1.26 -4.83 117.38 112.41 1pcp n GLN 53 Ca 0.00 0.00 0.11 0.00 -1.94 0.00 0.00 57.00 55.17 1pcp n GLN 53 Cb 0.00 0.00 0.64 0.00 0.11 0.00 0.00 30.24 30.99 1pcp n GLN 53 CO 0.00 0.00 0.00 -0.85 -1.44 0.00 0.00 177.06 174.77 1pcp n GLU 54 N -1.08 1.09 0.08 -1.09 0.00 -1.26 -3.70 120.64 114.67 1pcp n GLU 54 Ca 0.00 -0.13 -0.12 0.00 0.00 0.00 0.00 57.16 56.90 1pcp n GLU 54 Cb 0.00 -1.36 -0.08 0.00 0.00 0.00 0.00 31.44 30.00 1pcp n GLU 54 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.13 177.90 1pcp h SER 55 N 0.28 -0.20 0.00 -1.84 0.02 -1.99 -3.47 113.55 106.35 1pcp h SER 55 Ca 0.00 -0.31 0.00 0.00 -0.84 0.00 0.00 61.79 60.64 1pcp h SER 55 Cb 0.06 0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.65 1pcp h SER 55 CO 0.00 0.24 0.00 1.21 -1.14 0.00 0.00 176.83 177.14 1pcp n GLU 56 N -5.00 0.00 0.00 3.45 2.13 -1.24 -4.79 120.64 115.19 1pcp n GLU 56 Ca -0.09 0.13 0.00 0.00 0.66 0.00 0.00 57.16 57.86 1pcp n GLU 56 Cb 0.25 -2.24 0.00 0.00 0.27 0.00 0.00 31.44 29.72 1pcp n GLU 56 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1pcp n GLU 57 N -2.66 3.08 -0.01 5.31 1.02 -1.26 -4.75 120.64 121.38 1pcp n GLU 57 Ca 0.00 0.00 0.14 0.00 -0.02 0.00 0.00 57.16 57.28 1pcp n GLU 57 Cb 0.00 -0.32 0.73 0.00 -0.02 0.00 0.00 31.44 31.83 1pcp n GLU 57 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1pcp s VAL 59 N -1.98 3.16 -0.13 0.00 1.01 -1.26 -4.96 120.40 116.24 1pcp s VAL 59 Ca 0.41 0.52 -0.30 0.00 0.00 0.00 0.00 61.98 62.61 1pcp s VAL 59 Cb 0.20 -3.33 0.12 0.00 0.00 0.00 0.00 36.38 33.36 1pcp s VAL 59 CO 0.32 -0.01 0.94 -0.04 0.00 0.00 0.00 175.10 176.31 1pcp s MET 60 N 2.99 0.68 0.72 2.72 -1.94 -1.26 -4.86 119.30 118.36 1pcp s MET 60 Ca 0.74 0.12 -0.11 0.00 -1.71 0.00 0.00 55.69 54.74 1pcp s MET 60 Cb -0.38 0.32 0.03 0.00 2.01 0.00 0.00 34.83 36.80 1pcp s MET 60 CO 0.32 -0.22 1.07 -0.65 -0.01 0.00 0.00 175.02 175.53 1pcp s GLN 61 N -1.31 2.68 0.22 2.03 -0.21 -1.26 -4.72 119.66 117.08 1pcp s GLN 61 Ca -0.02 1.02 -0.09 0.00 0.02 0.00 0.00 55.36 56.28 1pcp s GLN 61 Cb -0.00 -1.96 0.32 0.00 1.00 0.00 0.00 33.01 32.37 1pcp s GLN 61 CO 0.02 -1.30 1.69 -0.39 -2.12 0.00 0.00 175.29 173.19 1pcp h VAL 62 N -0.87 0.59 0.00 1.09 -1.51 -1.97 0.80 116.25 114.37 1pcp h VAL 62 Ca -0.44 -0.08 -0.03 0.00 -1.23 0.00 0.00 66.70 64.92 1pcp h VAL 62 Cb 1.22 0.34 -0.00 0.00 -2.13 0.00 0.00 31.29 30.71 1pcp h VAL 62 CO 0.55 0.04 -0.16 -1.28 -1.23 0.00 0.00 177.57 175.49 1pcp h SER 63 N 0.23 0.00 0.48 4.19 0.87 -1.97 -3.15 113.55 114.19 1pcp h SER 63 Ca 0.33 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.87 1pcp h SER 63 Cb 0.52 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.48 1pcp h SER 63 CO -0.44 0.16 -0.23 0.00 -0.53 0.00 0.00 176.83 175.79 1pcp h ALA 64 N 1.84 -0.64 -0.97 6.23 0.00 0.15 -3.41 119.26 122.46 1pcp h ALA 64 Ca -0.00 -0.17 -0.57 0.00 0.00 0.00 0.00 54.91 54.16 1pcp h ALA 64 Cb 0.63 0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 1pcp h ALA 64 CO 0.02 -0.63 1.56 0.54 0.00 0.00 0.00 179.25 180.74 1pcp n ARG 65 N -5.21 0.80 0.00 0.00 1.74 0.31 -4.87 116.66 109.43 1pcp n ARG 65 Ca -0.09 0.14 0.00 0.00 -0.77 0.00 0.00 57.85 57.12 1pcp n ARG 65 Cb 0.29 -2.50 0.00 0.00 -1.02 0.00 0.00 32.46 29.22 1pcp n ARG 65 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 1pcp n LYS 66 N 8.49 0.00 0.00 5.56 0.00 -1.26 -4.58 118.16 126.37 1pcp n LYS 66 Ca 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.77 1pcp n LYS 66 Cb 0.27 -0.49 0.00 0.00 -0.00 0.00 0.00 35.03 34.81 1pcp n LYS 66 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 1pcp n ASN 67 N 0.00 0.00 0.00 -5.58 5.15 -1.26 -4.70 115.26 108.87 1pcp n ASN 67 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1pcp n ASN 67 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 1pcp n ASN 67 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1pcp n GLY 69 N 3.69 -0.06 3.33 0.00 0.00 -1.25 -4.59 105.19 106.30 1pcp n GLY 69 Ca 0.00 -0.24 -0.17 0.00 0.00 0.00 0.00 46.02 45.61 1pcp n GLY 69 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1pcp s TYR 70 N 0.00 1.56 -1.06 1.61 -0.85 -1.26 -5.02 117.35 112.34 1pcp s TYR 70 Ca 0.00 -0.88 -0.23 0.00 -0.52 0.00 0.00 57.07 55.45 1pcp s TYR 70 Cb 0.00 -0.89 -0.00 0.00 0.38 0.00 0.00 41.96 41.45 1pcp s TYR 70 CO 0.00 0.01 1.74 -1.25 -1.52 0.00 0.00 175.55 174.53 1pcp s PRO 71 N -3.83 3.14 0.00 -3.49 0.04 -1.26 -2.35 135.00 127.25 1pcp s PRO 71 Ca 0.27 -1.02 0.00 0.00 0.04 0.00 0.00 61.00 60.29 1pcp s PRO 71 Cb 0.05 -5.28 0.00 0.00 0.04 0.00 0.00 34.50 29.31 1pcp s PRO 71 CO 0.08 -2.89 0.00 0.41 0.04 0.00 0.00 177.00 174.64 1pcp n GLY 72 N 6.43 0.33 3.65 0.56 0.00 -1.26 -5.15 105.19 109.75 1pcp n GLY 72 Ca 0.40 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.12 1pcp n GLY 72 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1pcp s ILE 73 N 0.00 2.35 0.35 -0.61 2.07 -0.99 -5.06 121.20 119.31 1pcp s ILE 73 Ca 0.00 0.11 0.02 0.00 -1.41 0.00 0.00 60.65 59.37 1pcp s ILE 73 Cb 0.00 -2.32 -0.01 0.00 0.13 0.00 0.00 42.46 40.26 1pcp s ILE 73 CO 0.00 -0.15 0.06 -1.20 -1.91 0.00 0.00 174.94 171.74 1pcp n SER 74 N -4.24 2.01 -4.79 4.50 7.64 -1.26 -5.00 113.62 112.48 1pcp n SER 74 Ca 0.08 -2.69 -0.29 0.00 1.01 0.00 0.00 58.87 56.98 1pcp n SER 74 Cb 0.54 0.57 0.13 0.00 -1.01 0.00 0.00 64.21 64.43 1pcp n SER 74 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1pcp s PRO 75 N -3.29 1.32 0.00 1.43 0.04 -1.26 -2.27 135.00 130.97 1pcp s PRO 75 Ca 0.09 0.36 0.00 0.00 0.04 0.00 0.00 61.00 61.49 1pcp s PRO 75 Cb 0.00 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.69 1pcp s PRO 75 CO 0.06 -2.09 0.00 -1.91 0.04 0.00 0.00 177.00 173.11 1pcp n GLU 76 N -3.70 0.00 0.39 4.56 2.13 -1.26 -4.25 120.64 118.51 1pcp n GLU 76 Ca 0.07 0.00 -0.16 0.00 0.66 0.00 0.00 57.16 57.72 1pcp n GLU 76 Cb 0.59 0.00 -0.08 0.00 0.27 0.00 0.00 31.44 32.22 1pcp n GLU 76 CO 0.00 0.00 0.00 -0.44 -0.41 0.00 0.00 177.13 176.28 1pcp h ASP 77 N 0.00 -0.86 -0.56 4.31 3.32 -1.90 1.56 116.42 122.29 1pcp h ASP 77 Ca 0.00 0.02 0.09 0.00 0.02 0.00 0.00 57.03 57.16 1pcp h ASP 77 Cb 0.00 0.22 -0.11 0.00 0.22 0.00 0.00 39.33 39.67 1pcp h ASP 77 CO 0.00 -0.50 -0.40 0.00 -1.72 0.00 0.00 179.24 176.62 1pcp h ALA 79 N 0.74 1.11 -0.25 0.00 0.00 -1.46 2.16 119.26 121.55 1pcp h ALA 79 Ca 0.19 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1pcp h ALA 79 Cb 0.56 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1pcp h ALA 79 CO -0.67 0.65 0.00 0.00 0.00 0.00 0.00 179.25 179.23 1pcp n ALA 80 N -2.41 3.06 0.00 0.00 0.00 0.53 -3.84 120.51 117.86 1pcp n ALA 80 Ca 0.09 -0.80 0.00 0.00 0.00 0.00 0.00 53.44 52.72 1pcp n ALA 80 Cb 0.13 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.53 1pcp n ALA 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1pcp n ARG 81 N 0.28 0.00 0.00 0.00 1.74 1.11 -4.88 116.66 114.91 1pcp n ARG 81 Ca 0.12 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.20 1pcp n ARG 81 Cb 0.64 -0.56 0.00 0.00 -1.02 0.00 0.00 32.46 31.52 1pcp n ARG 81 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1pcp n ASN 82 N -2.15 0.00 0.00 0.55 5.03 0.71 -5.03 115.26 114.37 1pcp n ASN 82 Ca 0.00 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.45 1pcp n ASN 82 Cb 0.21 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.97 1pcp n ASN 82 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1pcp s PHE 85 N -2.78 0.03 -0.39 0.00 2.19 -1.23 -1.30 117.98 114.51 1pcp s PHE 85 Ca 0.66 -0.34 0.01 0.00 0.33 0.00 0.00 56.93 57.59 1pcp s PHE 85 Cb -0.21 -0.65 0.13 0.00 -1.31 0.00 0.00 43.02 40.99 1pcp s PHE 85 CO 0.60 -0.69 0.20 0.45 1.83 0.00 0.00 175.22 177.61 1pcp s SER 86 N 2.20 3.55 0.00 6.13 0.15 0.26 -4.93 113.70 121.06 1pcp s SER 86 Ca 0.06 -2.30 0.24 0.00 0.70 0.00 0.00 55.95 54.65 1pcp s SER 86 Cb -0.16 -0.83 1.42 0.00 -1.71 0.00 0.00 66.02 64.75 1pcp s SER 86 CO -0.21 -0.31 1.79 -0.90 1.20 0.00 0.00 173.24 174.81 1pcp n ASP 87 N 3.95 0.00 0.00 5.45 5.75 -1.26 -4.19 116.55 126.25 1pcp n ASP 87 Ca 0.07 -0.76 0.00 0.00 -0.01 0.00 0.00 54.79 54.09 1pcp n ASP 87 Cb 0.37 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.46 1pcp n ASP 87 CO 0.00 0.00 0.00 1.07 -0.11 0.00 0.00 177.20 178.16 1pcp n THR 88 N -0.99 0.00 -4.53 2.12 5.66 -1.26 -3.80 114.28 111.47 1pcp n THR 88 Ca 0.18 0.00 -0.26 0.00 -3.05 0.00 0.00 64.05 60.92 1pcp n THR 88 Cb 0.08 0.00 -0.14 0.00 -1.55 0.00 0.00 70.33 68.73 1pcp n THR 88 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 1pcp s ILE 89 N -4.89 1.77 0.18 1.09 1.09 -1.26 -5.04 121.20 114.15 1pcp s ILE 89 Ca 0.00 -1.37 0.02 0.00 -1.10 0.00 0.00 60.65 58.20 1pcp s ILE 89 Cb 0.00 -1.56 -0.13 0.00 -1.06 0.00 0.00 42.46 39.71 1pcp s ILE 89 CO 0.00 0.13 1.42 1.55 -0.10 0.00 0.00 174.94 177.93 1pcp h PRO 90 N 4.53 0.24 -2.59 2.79 0.13 -1.95 -3.32 132.00 131.84 1pcp h PRO 90 Ca -0.45 -0.23 -0.77 0.00 -0.87 0.00 0.00 66.00 63.68 1pcp h PRO 90 Cb 1.17 0.06 -0.19 0.00 0.13 0.00 0.00 31.00 32.17 1pcp h PRO 90 CO 0.42 0.93 1.81 0.39 -0.23 0.00 0.00 178.00 181.31 1pcp n GLU 91 N -3.73 4.80 -3.48 0.86 1.02 -1.26 -4.89 120.64 113.96 1pcp n GLU 91 Ca -0.04 -3.96 -0.09 0.00 -0.02 0.00 0.00 57.16 53.06 1pcp n GLU 91 Cb 0.76 -2.59 -0.02 0.00 -0.02 0.00 0.00 31.44 29.57 1pcp n GLU 91 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1pcp s VAL 92 N -2.23 0.00 -1.24 2.62 -7.23 -1.25 -5.06 120.40 106.02 1pcp s VAL 92 Ca 0.46 -0.01 -0.20 0.00 -1.81 0.00 0.00 61.98 60.42 1pcp s VAL 92 Cb 0.17 -1.01 -0.01 0.00 0.56 0.00 0.00 36.38 36.10 1pcp s VAL 92 CO -0.08 0.00 1.83 -2.16 -0.31 0.00 0.00 175.10 174.37 1pcp s PRO 93 N -3.30 3.26 0.31 4.82 0.04 -1.26 -4.78 135.00 134.09 1pcp s PRO 93 Ca 0.04 -1.58 0.01 0.00 0.04 0.00 0.00 61.00 59.51 1pcp s PRO 93 Cb -0.01 -5.39 0.72 0.00 0.04 0.00 0.00 34.50 29.86 1pcp s PRO 93 CO -0.10 -3.09 1.56 0.91 0.04 0.00 0.00 177.00 176.32 1pcp n TRP 94 N 11.29 0.60 -3.26 0.56 7.02 -1.26 -3.36 117.44 129.02 1pcp n TRP 94 Ca 0.47 1.20 -0.42 0.00 -1.02 0.00 0.00 57.50 57.73 1pcp n TRP 94 Cb 0.46 -1.23 -0.08 0.00 -2.42 0.00 0.00 31.31 28.05 1pcp n TRP 94 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1pcp n PHE 96 N 5.75 -0.11 -4.04 0.00 -1.74 -0.42 0.23 117.46 117.13 1pcp n PHE 96 Ca -0.06 -0.84 -0.23 0.00 -0.56 0.00 0.00 57.45 55.76 1pcp n PHE 96 Cb 0.48 0.05 -0.04 0.00 1.52 0.00 0.00 39.48 41.49 1pcp n PHE 96 CO 0.00 0.00 0.00 -0.06 -0.56 0.00 0.00 176.76 176.14 1pcp s PHE 97 N -2.23 3.28 -0.49 2.97 0.40 -1.26 0.18 117.98 120.83 1pcp s PHE 97 Ca 0.10 -0.03 0.26 0.00 -0.60 0.00 0.00 56.93 56.66 1pcp s PHE 97 Cb 0.00 -1.52 0.89 0.00 0.51 0.00 0.00 43.02 42.91 1pcp s PHE 97 CO 0.07 0.50 1.76 -1.00 0.70 0.00 0.00 175.22 177.24 1pcp h PRO 98 N 1.67 0.00 0.00 0.24 0.13 -1.96 -3.44 132.00 128.64 1pcp h PRO 98 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1pcp h PRO 98 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1pcp h PRO 98 CO 0.63 0.00 0.00 -0.12 -0.23 0.00 0.00 178.00 178.28 1pcp n MET 99 N -2.46 0.00 0.00 0.86 1.56 -1.26 -4.70 117.12 111.12 1pcp n MET 99 Ca 0.03 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.46 1pcp n MET 99 Cb 0.35 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.72 1pcp n MET 99 CO 0.00 0.00 0.00 0.43 -0.73 0.00 0.00 175.97 175.67 1pcp n SER 100 N 0.78 0.00 0.00 6.12 7.64 -1.26 -5.13 113.62 121.77 1pcp n SER 100 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1pcp n SER 100 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1pcp n SER 100 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 1pcp n VAL 101 N -1.14 0.00 0.00 0.44 0.24 -1.26 -4.84 118.33 111.76 1pcp n VAL 101 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1pcp n VAL 101 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 1pcp n VAL 101 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 1pcp n GLU 102 N 0.00 0.00 -0.46 7.34 2.13 -1.26 -3.26 120.64 125.13 1pcp n GLU 102 Ca 0.00 0.00 0.39 0.00 0.66 0.00 0.00 57.16 58.21 1pcp n GLU 102 Cb 0.00 0.00 0.73 0.00 0.27 0.00 0.00 31.44 32.44 1pcp n GLU 102 CO 0.00 0.00 0.00 0.22 -0.41 0.00 0.00 177.13 176.94 1pcp h ASP 103 N 0.00 0.10 0.00 4.31 3.58 -1.98 -1.92 116.42 120.51 1pcp h ASP 103 Ca 0.00 0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.49 1pcp h ASP 103 Cb 0.00 0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.08 1pcp h ASP 103 CO 0.00 -0.03 0.00 0.00 -2.88 0.00 0.00 179.24 176.33 1pcp n HIS 105 N -0.91 0.00 -1.97 0.00 1.44 -0.72 -4.71 115.22 108.34 1pcp n HIS 105 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 1pcp n HIS 105 Cb 0.00 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.11 1pcp n HIS 105 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19