#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 -3.63 0.00 5.31 4.81 -1.14 -5.03 118.16 118.47 1pcp n LYS 2 Ca 0.00 2.84 0.00 0.00 -0.87 0.00 0.00 58.31 60.28 1pcp n LYS 2 Cb 0.00 -4.16 0.00 0.00 0.02 0.00 0.00 35.03 30.89 1pcp n LYS 2 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 1pcp n PRO 3 N 1.34 0.00 -3.63 1.64 -0.04 -1.26 -5.08 135.00 127.96 1pcp n PRO 3 Ca -0.32 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.09 1pcp n PRO 3 Cb 0.50 -0.10 -0.06 0.00 -0.04 0.00 0.00 33.50 33.80 1pcp n PRO 3 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1pcp s ALA 4 N -3.50 -2.10 0.52 0.55 0.00 -1.26 -5.01 121.76 110.96 1pcp s ALA 4 Ca 0.00 1.76 0.22 0.00 0.00 0.00 0.00 51.96 53.93 1pcp s ALA 4 Cb 0.00 -1.50 1.44 0.00 0.00 0.00 0.00 23.12 23.06 1pcp s ALA 4 CO 0.00 -0.19 2.16 0.00 0.00 0.00 0.00 175.76 177.73 1pcp h ALA 5 N 3.09 1.72 0.00 0.00 0.00 -1.90 0.38 119.26 122.55 1pcp h ALA 5 Ca -0.22 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1pcp h ALA 5 Cb 1.19 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1pcp h ALA 5 CO 0.19 0.05 0.00 0.00 0.00 0.00 0.00 179.25 179.49 1pcp n ARG 7 N -2.00 2.60 0.00 0.00 1.74 0.13 -4.56 116.66 114.57 1pcp n ARG 7 Ca 0.01 -2.18 0.00 0.00 -0.77 0.00 0.00 57.85 54.91 1pcp n ARG 7 Cb 0.12 -1.37 0.00 0.00 -1.02 0.00 0.00 32.46 30.19 1pcp n ARG 7 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1pcp n SER 9 N -1.69 -0.88 -1.60 0.00 3.41 0.76 0.22 113.62 113.84 1pcp n SER 9 Ca 0.00 -0.44 -0.05 0.00 -0.26 0.00 0.00 58.87 58.12 1pcp n SER 9 Cb 0.15 -0.29 -0.01 0.00 -0.26 0.00 0.00 64.21 63.79 1pcp n SER 9 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 1pcp n ARG 10 N 2.76 -1.65 0.00 4.33 1.85 -1.26 -4.60 116.66 118.08 1pcp n ARG 10 Ca 0.25 0.27 0.00 0.00 -1.00 0.00 0.00 57.85 57.36 1pcp n ARG 10 Cb 0.14 -4.51 0.00 0.00 -1.05 0.00 0.00 32.46 27.03 1pcp n ARG 10 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 1pcp n GLN 11 N -1.77 0.00 -4.39 2.89 6.02 0.60 -3.95 117.38 116.78 1pcp n GLN 11 Ca -0.05 0.00 -0.28 0.00 -0.01 0.00 0.00 57.00 56.66 1pcp n GLN 11 Cb 0.29 0.00 -0.12 0.00 1.02 0.00 0.00 30.24 31.43 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 -0.38 3.53 -1.22 1.08 -1.08 -1.26 -4.89 116.67 112.45 1pcp s ASP 12 Ca 0.00 -0.79 -0.20 0.00 -0.52 0.00 0.00 52.55 51.05 1pcp s ASP 12 Cb 0.00 -0.32 -0.02 0.00 -1.46 0.00 0.00 42.92 41.13 1pcp s ASP 12 CO 0.00 0.14 1.87 -0.81 0.52 0.00 0.00 175.17 176.89 1pcp n PRO 13 N 0.44 2.37 -1.48 4.34 -0.04 -1.25 -4.35 135.00 135.02 1pcp n PRO 13 Ca -0.14 -2.77 -0.00 0.00 -0.04 0.00 0.00 63.50 60.55 1pcp n PRO 13 Cb 0.55 -3.53 -0.00 0.00 -0.04 0.00 0.00 33.50 30.48 1pcp n PRO 13 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1pcp n LYS 14 N 8.04 -0.10 0.00 0.54 0.00 -1.26 -5.03 118.16 120.35 1pcp n LYS 14 Ca 0.48 0.57 0.00 0.00 0.00 0.00 0.00 58.31 59.35 1pcp n LYS 14 Cb 0.45 -1.05 0.00 0.00 0.00 0.00 0.00 35.03 34.43 1pcp n LYS 14 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1pcp n ASN 15 N 0.04 0.31 0.00 3.14 4.13 -1.26 -4.98 115.26 116.64 1pcp n ASN 15 Ca -0.01 -0.74 0.00 0.00 1.68 0.00 0.00 54.58 55.51 1pcp n ASN 15 Cb 0.01 0.16 0.00 0.00 -1.54 0.00 0.00 39.78 38.41 1pcp n ASN 15 CO 0.00 0.00 0.00 -1.14 0.28 0.00 0.00 177.26 176.40 1pcp n ARG 16 N -0.16 -1.36 -0.77 3.52 3.00 -1.26 -4.94 116.66 114.69 1pcp n ARG 16 Ca 0.00 0.34 -0.29 0.00 -0.00 0.00 0.00 57.85 57.90 1pcp n ARG 16 Cb 0.09 -4.51 0.21 0.00 0.00 0.00 0.00 32.46 28.26 1pcp n ARG 16 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 1pcp s VAL 17 N -1.27 2.12 -0.29 5.15 1.01 -1.26 -4.96 120.40 120.90 1pcp s VAL 17 Ca 0.00 0.04 -0.17 0.00 0.00 0.00 0.00 61.98 61.85 1pcp s VAL 17 Cb 0.00 -2.23 0.17 0.00 0.00 0.00 0.00 36.38 34.31 1pcp s VAL 17 CO 0.00 -0.05 1.09 0.54 0.00 0.00 0.00 175.10 176.68 1pcp s ASN 18 N -2.84 -0.34 0.00 3.32 2.20 -1.26 -4.46 114.94 111.57 1pcp s ASN 18 Ca 0.67 0.55 0.21 0.00 -0.94 0.00 0.00 52.86 53.35 1pcp s ASN 18 Cb -0.23 1.10 0.35 0.00 -2.00 0.00 0.00 41.25 40.47 1pcp s ASN 18 CO 0.61 -0.09 1.14 0.00 -2.94 0.00 0.00 177.10 175.82 1pcp n GLY 20 N 0.40 2.24 3.39 0.00 0.00 -1.25 -4.58 105.19 105.39 1pcp n GLY 20 Ca 0.05 -0.52 -0.20 0.00 0.00 0.00 0.00 46.02 45.35 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 -1.73 1.82 -1.94 1.61 -0.71 -1.26 -4.95 117.98 110.81 1pcp s PHE 21 Ca 0.00 -0.69 0.24 0.00 -1.04 0.00 0.00 56.93 55.44 1pcp s PHE 21 Cb 0.00 -0.98 1.40 0.00 -1.21 0.00 0.00 43.02 42.23 1pcp s PHE 21 CO 0.00 0.26 1.79 -0.35 -1.34 0.00 0.00 175.22 175.58 1pcp n PRO 22 N -0.49 0.70 -0.25 1.99 -0.04 -1.26 -2.22 135.00 133.43 1pcp n PRO 22 Ca -0.06 0.01 0.07 0.00 -0.04 0.00 0.00 63.50 63.47 1pcp n PRO 22 Cb 0.62 -1.50 0.17 0.00 -0.04 0.00 0.00 33.50 32.76 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 0.51 3.69 3.03 0.55 0.00 -1.26 -5.02 105.19 106.70 1pcp n GLY 23 Ca 0.17 -0.73 -0.25 0.00 0.00 0.00 0.00 46.02 45.21 1pcp n GLY 23 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1pcp n ILE 24 N -0.38 0.00 0.00 -0.61 3.06 -0.94 -5.04 119.36 115.45 1pcp n ILE 24 Ca 0.15 -0.49 0.00 0.00 -2.50 0.00 0.00 62.75 59.91 1pcp n ILE 24 Cb 0.63 -1.27 0.00 0.00 0.54 0.00 0.00 39.64 39.54 1pcp n ILE 24 CO 0.00 0.00 0.00 0.35 -2.50 0.00 0.00 176.55 174.40 1pcp n THR 25 N -4.33 0.00 0.00 9.51 -2.24 -1.26 -5.07 114.28 110.88 1pcp n THR 25 Ca 0.13 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.91 1pcp n THR 25 Cb 0.50 -1.01 0.00 0.00 -2.10 0.00 0.00 70.33 67.71 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 -2.72 0.00 -0.35 3.42 3.41 -1.26 -4.95 113.62 111.17 1pcp n SER 26 Ca 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 58.87 58.59 1pcp n SER 26 Cb 0.32 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 64.31 1pcp n SER 26 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 1pcp h ASP 27 N 0.00 -1.37 -0.44 4.04 2.03 -1.98 3.22 116.42 121.92 1pcp h ASP 27 Ca 0.00 0.30 0.13 0.00 -0.73 0.00 0.00 57.03 56.72 1pcp h ASP 27 Cb 0.00 0.72 -0.02 0.00 -0.83 0.00 0.00 39.33 39.20 1pcp h ASP 27 CO 0.00 -0.29 0.32 1.56 -1.03 0.00 0.00 179.24 179.80 1pcp h GLN 28 N -0.03 0.00 0.21 4.15 1.08 -1.96 1.58 115.11 120.15 1pcp h GLN 28 Ca 0.33 0.00 -0.34 0.00 -1.45 0.00 0.00 58.65 57.19 1pcp h GLN 28 Cb 0.59 0.00 0.02 0.00 -0.05 0.00 0.00 27.48 28.05 1pcp h GLN 28 CO -0.94 0.00 -1.57 0.00 -0.95 0.00 0.00 178.83 175.38 1pcp n PHE 30 N -3.64 0.66 0.83 0.00 3.01 0.56 -1.92 117.46 116.96 1pcp n PHE 30 Ca -0.19 0.22 0.09 0.00 1.01 0.00 0.00 57.45 58.58 1pcp n PHE 30 Cb 1.09 -0.85 -0.12 0.00 -0.01 0.00 0.00 39.48 39.59 1pcp n PHE 30 CO 0.00 0.00 0.00 2.41 1.01 0.00 0.00 176.76 180.18 1pcp n THR 31 N -2.06 0.00 -0.42 4.37 -1.04 0.52 -2.89 114.28 112.76 1pcp n THR 31 Ca 0.05 -0.08 0.04 0.00 -2.04 0.00 0.00 64.05 62.02 1pcp n THR 31 Cb 0.33 0.90 0.30 0.00 -1.82 0.00 0.00 70.33 70.04 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 -1.54 4.49 0.00 8.00 2.88 -0.82 -4.85 113.62 121.78 1pcp n SER 32 Ca 0.03 -2.71 0.00 0.00 -1.33 0.00 0.00 58.87 54.86 1pcp n SER 32 Cb 0.33 -0.64 0.00 0.00 -0.75 0.00 0.00 64.21 63.14 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 0.42 0.20 3.76 0.46 0.00 -1.25 -4.96 105.19 103.83 1pcp n GLY 33 Ca 0.22 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.21 -0.74 0.00 0.00 5.36 -1.26 -0.16 117.98 118.98 1pcp s PHE 36 Ca 0.38 0.96 0.00 0.00 -0.96 0.00 0.00 56.93 57.31 1pcp s PHE 36 Cb -0.07 0.05 0.00 0.00 -0.34 0.00 0.00 43.02 42.66 1pcp s PHE 36 CO 0.27 -0.62 0.00 -3.47 -1.46 0.00 0.00 175.22 169.93 1pcp n ASP 37 N 5.37 0.00 0.00 6.13 2.03 0.29 -4.96 116.55 125.40 1pcp n ASP 37 Ca -0.05 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.26 1pcp n ASP 37 Cb 0.50 -0.07 0.00 0.00 -0.72 0.00 0.00 41.12 40.83 1pcp n ASP 37 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1pcp n SER 38 N -1.61 0.00 0.15 1.67 7.64 -1.24 -4.82 113.62 115.41 1pcp n SER 38 Ca 0.00 0.00 0.11 0.00 1.01 0.00 0.00 58.87 59.99 1pcp n SER 38 Cb 0.00 0.00 0.26 0.00 -1.01 0.00 0.00 64.21 63.46 1pcp n SER 38 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 1pcp h GLN 39 N 0.55 0.00 -4.34 1.43 4.20 -1.93 -3.18 115.11 111.84 1pcp h GLN 39 Ca 0.00 0.00 -0.72 0.00 0.06 0.00 0.00 58.65 57.99 1pcp h GLN 39 Cb 0.00 0.00 -0.28 0.00 0.30 0.00 0.00 27.48 27.50 1pcp h GLN 39 CO 0.00 0.00 -0.40 0.08 -0.67 0.00 0.00 178.83 177.84 1pcp s VAL 40 N -4.17 4.32 0.03 -0.54 1.01 -1.26 -5.06 120.40 114.73 1pcp s VAL 40 Ca -0.01 -1.61 -0.30 0.00 0.00 0.00 0.00 61.98 60.06 1pcp s VAL 40 Cb 0.06 -3.76 -0.05 0.00 0.00 0.00 0.00 36.38 32.63 1pcp s VAL 40 CO 0.20 -0.68 1.18 -2.16 0.00 0.00 0.00 175.10 173.64 1pcp s PRO 41 N 1.41 4.43 0.00 2.72 0.04 -1.20 -3.28 135.00 139.12 1pcp s PRO 41 Ca 0.05 1.71 0.00 0.00 0.04 0.00 0.00 61.00 62.80 1pcp s PRO 41 Cb -0.25 -3.40 0.00 0.00 0.04 0.00 0.00 34.50 30.89 1pcp s PRO 41 CO 0.01 -0.27 0.00 0.41 0.04 0.00 0.00 177.00 177.19 1pcp n GLY 42 N 3.21 3.10 2.16 0.56 0.00 -1.26 -5.06 105.19 107.90 1pcp n GLY 42 Ca 0.09 -1.01 -0.14 0.00 0.00 0.00 0.00 46.02 44.95 1pcp n GLY 42 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1pcp n VAL 43 N 0.00 0.00 -2.43 1.61 0.24 -1.20 -5.02 118.33 111.53 1pcp n VAL 43 Ca 0.00 -0.75 -0.42 0.00 -2.04 0.00 0.00 64.34 61.13 1pcp n VAL 43 Cb 0.00 -1.35 -0.03 0.00 -1.47 0.00 0.00 33.84 31.00 1pcp n VAL 43 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1pcp s PRO 44 N -4.18 4.31 -0.15 7.34 0.04 -1.26 -4.92 135.00 136.17 1pcp s PRO 44 Ca 0.39 1.69 -0.27 0.00 0.04 0.00 0.00 61.00 62.84 1pcp s PRO 44 Cb -0.02 -3.62 -0.25 0.00 0.04 0.00 0.00 34.50 30.66 1pcp s PRO 44 CO 0.26 -0.53 0.65 -1.49 0.04 0.00 0.00 177.00 175.93 1pcp h TRP 45 N 7.70 0.01 -3.35 0.56 4.06 -1.89 -3.43 115.95 119.61 1pcp h TRP 45 Ca -0.32 -0.00 -0.57 0.00 2.06 0.00 0.00 58.89 60.06 1pcp h TRP 45 Cb 1.15 -0.00 -0.07 0.00 -1.00 0.00 0.00 29.16 29.24 1pcp h TRP 45 CO 0.75 1.11 -0.02 0.00 -3.56 0.00 0.00 178.44 176.72 1pcp n PHE 47 N 3.81 -0.49 -2.99 0.00 1.16 0.78 -1.26 117.46 118.48 1pcp n PHE 47 Ca -0.04 0.00 -0.22 0.00 -1.87 0.00 0.00 57.45 55.32 1pcp n PHE 47 Cb 0.51 0.00 0.01 0.00 -1.61 0.00 0.00 39.48 38.40 1pcp n PHE 47 CO 0.00 0.00 0.00 -1.59 -1.87 0.00 0.00 176.76 173.30 1pcp s LYS 48 N -1.37 3.00 0.57 3.97 0.00 -1.26 0.93 119.74 125.58 1pcp s LYS 48 Ca 0.00 -0.59 -0.16 0.00 0.00 0.00 0.00 55.97 55.22 1pcp s LYS 48 Cb 0.00 -2.58 -0.05 0.00 0.00 0.00 0.00 37.83 35.20 1pcp s LYS 48 CO 0.00 -0.30 1.05 -1.25 0.00 0.00 0.00 175.35 174.85 1pcp s PRO 49 N -4.54 3.46 -0.64 1.78 0.04 -1.26 -4.46 135.00 129.37 1pcp s PRO 49 Ca 0.49 1.20 0.06 0.00 0.04 0.00 0.00 61.00 62.79 1pcp s PRO 49 Cb -0.10 -2.05 0.24 0.00 0.04 0.00 0.00 34.50 32.62 1pcp s PRO 49 CO 0.37 -0.69 0.70 -0.11 0.04 0.00 0.00 177.00 177.31 1pcp n LEU 50 N -1.83 3.55 0.00 -3.56 0.00 0.64 -5.03 117.00 110.78 1pcp n LEU 50 Ca 0.09 -5.39 -0.18 0.00 0.00 0.00 0.00 56.01 50.52 1pcp n LEU 50 Cb 0.53 -0.64 0.14 0.00 0.00 0.00 0.00 43.42 43.45 1pcp n LEU 50 CO 0.46 2.01 0.46 -0.81 0.00 0.00 0.00 177.39 179.52 1pcp n PRO 51 N 1.03 -1.56 0.00 1.96 -0.04 -1.26 -4.40 135.00 130.73 1pcp n PRO 51 Ca 0.28 -1.18 0.00 0.00 -0.04 0.00 0.00 63.50 62.56 1pcp n PRO 51 Cb 0.40 -0.93 0.00 0.00 -0.04 0.00 0.00 33.50 32.93 1pcp n PRO 51 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1pcp n ALA 52 N -3.84 0.00 -0.85 0.55 0.00 -1.26 -4.87 120.51 110.24 1pcp n ALA 52 Ca -0.13 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.02 1pcp n ALA 52 Cb 0.36 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.83 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 0.11 0.00 6.02 -1.26 -4.60 117.38 117.64 1pcp n GLN 53 Ca 0.00 0.00 0.05 0.00 -0.01 0.00 0.00 57.00 57.04 1pcp n GLN 53 Cb 0.00 -0.77 0.28 0.00 1.02 0.00 0.00 30.24 30.77 1pcp n GLN 53 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1pcp n GLU 54 N 1.60 0.07 -3.09 -1.09 1.02 -1.26 -3.77 120.64 114.13 1pcp n GLU 54 Ca 0.02 0.51 -0.45 0.00 -0.02 0.00 0.00 57.16 57.21 1pcp n GLU 54 Cb 0.40 -1.92 -0.02 0.00 -0.02 0.00 0.00 31.44 29.88 1pcp n GLU 54 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1pcp s SER 55 N -3.29 6.68 -0.83 1.62 0.01 -1.26 -4.97 113.70 111.66 1pcp s SER 55 Ca -0.01 -2.29 -0.25 0.00 1.31 0.00 0.00 55.95 54.71 1pcp s SER 55 Cb 0.03 -2.32 -0.19 0.00 0.21 0.00 0.00 66.02 63.74 1pcp s SER 55 CO 0.09 -0.87 2.48 1.21 0.41 0.00 0.00 173.24 176.56 1pcp n GLU 56 N 5.54 0.36 0.00 12.44 2.13 -1.25 -2.26 120.64 137.60 1pcp n GLU 56 Ca 0.20 -0.11 0.00 0.00 0.66 0.00 0.00 57.16 57.90 1pcp n GLU 56 Cb 0.48 -2.23 0.00 0.00 0.27 0.00 0.00 31.44 29.96 1pcp n GLU 56 CO 0.00 0.00 0.00 -0.85 -0.41 0.00 0.00 177.13 175.87 1pcp n GLU 57 N 8.12 0.00 0.00 5.31 0.28 -1.26 -4.94 120.64 128.15 1pcp n GLU 57 Ca 0.56 0.00 0.15 0.00 -0.16 0.00 0.00 57.16 57.71 1pcp n GLU 57 Cb 0.25 0.00 0.81 0.00 1.43 0.00 0.00 31.44 33.92 1pcp n GLU 57 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1pcp s VAL 59 N -2.42 3.13 -0.09 0.00 1.01 -1.26 -4.81 120.40 115.95 1pcp s VAL 59 Ca 0.34 0.12 -0.21 0.00 0.00 0.00 0.00 61.98 62.22 1pcp s VAL 59 Cb 0.21 -3.20 0.05 0.00 0.00 0.00 0.00 36.38 33.44 1pcp s VAL 59 CO 0.44 -0.15 0.51 -0.04 0.00 0.00 0.00 175.10 175.86 1pcp s MET 60 N 6.64 0.77 0.65 2.72 -1.94 -1.26 -4.91 119.30 121.97 1pcp s MET 60 Ca 0.94 0.29 -0.07 0.00 -1.71 0.00 0.00 55.69 55.14 1pcp s MET 60 Cb -0.26 0.36 0.03 0.00 2.01 0.00 0.00 34.83 36.97 1pcp s MET 60 CO 0.32 -0.19 0.98 -0.65 -0.01 0.00 0.00 175.02 175.47 1pcp s GLN 61 N -0.69 2.68 -1.01 2.03 -0.21 -1.26 -4.87 119.66 116.33 1pcp s GLN 61 Ca -0.08 0.03 -0.26 0.00 0.02 0.00 0.00 55.36 55.07 1pcp s GLN 61 Cb -0.03 -2.18 -0.20 0.00 1.00 0.00 0.00 33.01 31.60 1pcp s GLN 61 CO 0.05 -0.95 2.19 0.54 -2.12 0.00 0.00 175.29 175.00 1pcp s VAL 62 N -3.16 3.04 0.00 1.09 0.11 -1.26 -0.33 120.40 119.89 1pcp s VAL 62 Ca 0.57 -0.07 0.00 0.00 -2.93 0.00 0.00 61.98 59.55 1pcp s VAL 62 Cb -0.11 -3.75 0.00 0.00 -1.53 0.00 0.00 36.38 30.99 1pcp s VAL 62 CO 0.46 -0.08 0.00 -1.20 -3.33 0.00 0.00 175.10 170.95 1pcp n SER 63 N 19.26 0.00 0.19 3.54 7.64 -1.26 -4.95 113.62 138.04 1pcp n SER 63 Ca 0.43 0.00 0.12 0.00 1.01 0.00 0.00 58.87 60.43 1pcp n SER 63 Cb 0.46 0.00 0.18 0.00 -1.01 0.00 0.00 64.21 63.84 1pcp n SER 63 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1pcp h ALA 64 N 0.00 0.93 -1.62 -0.43 0.00 -1.02 -3.46 119.26 113.66 1pcp h ALA 64 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.57 1pcp h ALA 64 Cb 0.00 0.00 0.18 0.00 0.00 0.00 0.00 17.79 17.97 1pcp h ALA 64 CO 0.00 0.00 -0.60 2.89 0.00 0.00 0.00 179.25 181.54 1pcp n ARG 65 N -2.92 -2.33 0.00 0.00 -4.01 -1.25 -4.95 116.66 101.21 1pcp n ARG 65 Ca 0.04 -0.68 0.00 0.00 -1.04 0.00 0.00 57.85 56.17 1pcp n ARG 65 Cb 0.52 -1.63 0.00 0.00 -3.04 0.00 0.00 32.46 28.31 1pcp n ARG 65 CO 0.00 0.00 0.00 1.63 -3.04 0.00 0.00 177.63 176.22 1pcp n LYS 66 N -2.42 0.38 -2.63 2.89 4.76 -1.26 -4.92 118.16 114.97 1pcp n LYS 66 Ca 0.04 -0.54 -0.02 0.00 -2.87 0.00 0.00 58.31 54.92 1pcp n LYS 66 Cb 0.50 -0.70 0.00 0.00 -1.84 0.00 0.00 35.03 32.99 1pcp n LYS 66 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1pcp n ASN 67 N -0.10 -7.46 -2.46 4.39 5.15 -1.26 -4.81 115.26 108.71 1pcp n ASN 67 Ca 0.00 1.12 -0.10 0.00 -0.60 0.00 0.00 54.58 55.00 1pcp n ASN 67 Cb 0.27 -4.95 -0.03 0.00 -0.53 0.00 0.00 39.78 34.54 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 1.52 -0.32 3.40 0.00 0.00 -1.20 -4.16 105.19 104.42 1pcp n GLY 69 Ca -0.03 -0.27 -0.20 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.41 1.79 -1.14 1.61 1.13 -1.26 -4.91 117.35 114.16 1pcp s TYR 70 Ca 0.00 -0.93 -0.15 0.00 -1.41 0.00 0.00 57.07 54.58 1pcp s TYR 70 Cb 0.00 -1.10 -0.07 0.00 -1.10 0.00 0.00 41.96 39.69 1pcp s TYR 70 CO 0.00 -0.00 2.20 -0.35 -2.51 0.00 0.00 175.55 174.89 1pcp n PRO 71 N -0.56 2.34 0.00 -3.49 -0.04 -1.26 -2.62 135.00 129.37 1pcp n PRO 71 Ca -0.03 -2.06 0.00 0.00 -0.04 0.00 0.00 63.50 61.36 1pcp n PRO 71 Cb 0.65 -2.93 0.00 0.00 -0.04 0.00 0.00 33.50 31.18 1pcp n PRO 71 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1pcp n GLY 72 N 4.12 0.01 3.29 0.55 0.00 -1.26 -5.15 105.19 106.76 1pcp n GLY 72 Ca 0.53 -0.01 -0.34 0.00 0.00 0.00 0.00 46.02 46.21 1pcp n GLY 72 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1pcp n ILE 73 N -0.38 0.09 -3.50 -0.61 3.06 -1.08 -5.01 119.36 111.94 1pcp n ILE 73 Ca 0.00 -0.30 -0.20 0.00 -2.50 0.00 0.00 62.75 59.76 1pcp n ILE 73 Cb 0.00 -0.44 0.02 0.00 0.54 0.00 0.00 39.64 39.77 1pcp n ILE 73 CO 0.00 0.00 0.00 -1.54 -2.50 0.00 0.00 176.55 172.51 1pcp n SER 74 N 0.20 2.21 0.04 9.51 3.41 -1.26 -4.92 113.62 122.80 1pcp n SER 74 Ca 0.04 -2.49 -0.02 0.00 -0.26 0.00 0.00 58.87 56.15 1pcp n SER 74 Cb 0.54 -0.17 -0.01 0.00 -0.26 0.00 0.00 64.21 64.31 1pcp n SER 74 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 1pcp h PRO 75 N 0.00 -0.13 0.00 4.33 0.13 -1.94 0.32 132.00 134.70 1pcp h PRO 75 Ca -0.27 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1pcp h PRO 75 Cb 1.07 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1pcp h PRO 75 CO 0.41 -0.08 0.00 -1.91 -0.23 0.00 0.00 178.00 176.18 1pcp n GLU 76 N -3.17 0.09 -0.07 0.86 2.13 -1.26 -1.82 120.64 117.40 1pcp n GLU 76 Ca -0.02 0.50 -0.22 0.00 0.66 0.00 0.00 57.16 58.08 1pcp n GLU 76 Cb 0.05 -1.73 -0.12 0.00 0.27 0.00 0.00 31.44 29.90 1pcp n GLU 76 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1pcp n ASP 77 N -1.91 1.98 0.13 4.31 8.00 -1.24 -2.69 116.55 125.14 1pcp n ASP 77 Ca 0.00 0.31 -0.13 0.00 0.71 0.00 0.00 54.79 55.68 1pcp n ASP 77 Cb 0.08 -0.89 -0.08 0.00 -0.02 0.00 0.00 41.12 40.21 1pcp n ASP 77 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1pcp h ALA 79 N -0.87 0.79 0.00 0.00 0.00 -1.31 2.30 119.26 120.17 1pcp h ALA 79 Ca -0.02 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1pcp h ALA 79 Cb 0.62 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1pcp h ALA 79 CO -0.17 -0.02 0.00 0.00 0.00 0.00 0.00 179.25 179.06 1pcp n ALA 80 N -2.35 1.72 -0.07 0.00 0.00 -0.73 -3.30 120.51 115.78 1pcp n ALA 80 Ca 0.07 -0.06 -0.11 0.00 0.00 0.00 0.00 53.44 53.34 1pcp n ALA 80 Cb 0.16 -1.22 -0.04 0.00 0.00 0.00 0.00 19.45 18.35 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 -1.38 0.42 0.00 0.00 3.00 0.71 -4.98 116.66 114.43 1pcp n ARG 81 Ca 0.05 0.17 0.00 0.00 -0.01 0.00 0.00 57.85 58.06 1pcp n ARG 81 Cb 0.13 -1.23 0.00 0.00 0.00 0.00 0.00 32.46 31.36 1pcp n ARG 81 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 1pcp n ASN 82 N -4.18 0.00 0.00 0.55 3.02 0.72 -5.05 115.26 110.32 1pcp n ASN 82 Ca -0.18 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.37 1pcp n ASN 82 Cb 0.50 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.67 1pcp n ASN 82 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1pcp s PHE 85 N -3.13 0.01 -0.29 0.00 2.19 -1.23 -1.15 117.98 114.37 1pcp s PHE 85 Ca 0.61 -0.35 -0.02 0.00 0.33 0.00 0.00 56.93 57.50 1pcp s PHE 85 Cb -0.15 -0.64 0.10 0.00 -1.31 0.00 0.00 43.02 41.02 1pcp s PHE 85 CO 0.54 -0.71 0.11 0.45 1.83 0.00 0.00 175.22 177.44 1pcp s SER 86 N 2.21 3.72 0.00 6.13 0.15 0.35 -4.63 113.70 121.63 1pcp s SER 86 Ca 0.07 -1.42 0.30 0.00 0.70 0.00 0.00 55.95 55.60 1pcp s SER 86 Cb -0.16 -0.62 1.57 0.00 -1.71 0.00 0.00 66.02 65.10 1pcp s SER 86 CO -0.23 -0.42 2.04 -0.90 1.20 0.00 0.00 173.24 174.93 1pcp n ASP 87 N 5.04 0.49 -0.25 5.45 5.75 -1.26 -4.19 116.55 127.58 1pcp n ASP 87 Ca -0.04 -1.07 0.22 0.00 -0.01 0.00 0.00 54.79 53.89 1pcp n ASP 87 Cb 0.42 -0.02 0.39 0.00 -1.03 0.00 0.00 41.12 40.89 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 -0.66 -0.20 -3.89 2.12 5.66 -1.26 -2.84 114.28 113.21 1pcp n THR 88 Ca 0.21 1.17 -0.35 0.00 -3.05 0.00 0.00 64.05 62.03 1pcp n THR 88 Cb 0.21 -1.91 -0.13 0.00 -1.55 0.00 0.00 70.33 66.94 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 -4.76 2.99 0.28 1.09 1.09 -1.26 -5.09 121.20 115.54 1pcp s ILE 89 Ca -0.05 -1.56 -0.29 0.00 -1.10 0.00 0.00 60.65 57.65 1pcp s ILE 89 Cb 0.20 -2.81 -0.09 0.00 -1.06 0.00 0.00 42.46 38.70 1pcp s ILE 89 CO 0.49 -0.23 1.08 -2.16 -0.10 0.00 0.00 174.94 174.02 1pcp s PRO 90 N 1.21 4.67 0.00 2.79 0.04 -1.13 -3.70 135.00 138.88 1pcp s PRO 90 Ca -0.02 1.77 0.00 0.00 0.04 0.00 0.00 61.00 62.79 1pcp s PRO 90 Cb -0.20 -3.20 0.00 0.00 0.04 0.00 0.00 34.50 31.14 1pcp s PRO 90 CO -0.02 0.25 0.00 0.39 0.04 0.00 0.00 177.00 177.66 1pcp n GLU 91 N 1.22 0.00 -3.96 4.56 1.02 -1.26 -5.08 120.64 117.15 1pcp n GLU 91 Ca -0.01 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.01 1pcp n GLU 91 Cb 0.45 -1.53 -0.01 0.00 -0.02 0.00 0.00 31.44 30.33 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 -2.07 0.00 -0.75 2.62 -7.23 -1.24 -5.09 120.40 106.63 1pcp s VAL 92 Ca 0.00 -1.31 -0.26 0.00 -1.81 0.00 0.00 61.98 58.60 1pcp s VAL 92 Cb 0.00 -2.69 0.00 0.00 0.56 0.00 0.00 36.38 34.26 1pcp s VAL 92 CO 0.00 0.00 1.59 -2.16 -0.31 0.00 0.00 175.10 174.22 1pcp s PRO 93 N -2.84 2.96 0.24 4.82 0.04 -1.26 -4.81 135.00 134.15 1pcp s PRO 93 Ca 0.23 -0.05 -0.04 0.00 0.04 0.00 0.00 61.00 61.17 1pcp s PRO 93 Cb -0.03 -4.52 0.26 0.00 0.04 0.00 0.00 34.50 30.25 1pcp s PRO 93 CO 0.15 -2.52 1.75 -1.49 0.04 0.00 0.00 177.00 174.94 1pcp h TRP 94 N 11.94 0.99 -3.39 0.56 6.55 -1.86 -3.37 115.95 127.37 1pcp h TRP 94 Ca -0.16 -0.12 -0.69 0.00 0.95 0.00 0.00 58.89 58.86 1pcp h TRP 94 Cb 1.08 -0.28 -0.18 0.00 -0.86 0.00 0.00 29.16 28.92 1pcp h TRP 94 CO 1.13 0.85 -0.05 0.00 -1.05 0.00 0.00 178.44 179.32 1pcp n PHE 96 N 5.93 0.14 -4.36 0.00 -1.74 -0.30 0.30 117.46 117.43 1pcp n PHE 96 Ca -0.07 -0.32 -0.34 0.00 -0.56 0.00 0.00 57.45 56.17 1pcp n PHE 96 Cb 0.46 -0.04 -0.12 0.00 1.52 0.00 0.00 39.48 41.31 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 -1.27 3.05 -0.43 2.97 0.40 -1.26 -0.03 117.98 121.41 1pcp s PHE 97 Ca 0.00 -0.23 -0.29 0.00 -0.60 0.00 0.00 56.93 55.81 1pcp s PHE 97 Cb 0.00 -1.96 0.01 0.00 0.51 0.00 0.00 43.02 41.58 1pcp s PHE 97 CO 0.00 0.01 1.42 -1.25 0.70 0.00 0.00 175.22 176.10 1pcp s PRO 98 N 0.30 3.53 0.00 0.24 0.04 -1.26 -4.69 135.00 133.15 1pcp s PRO 98 Ca -0.03 0.88 0.00 0.00 0.04 0.00 0.00 61.00 61.89 1pcp s PRO 98 Cb -0.14 -4.04 0.00 0.00 0.04 0.00 0.00 34.50 30.36 1pcp s PRO 98 CO 0.03 -1.63 0.00 0.00 0.04 0.00 0.00 177.00 175.44 1pcp n MET 99 N 8.17 -0.91 0.00 4.56 0.00 -1.26 -5.07 117.12 122.60 1pcp n MET 99 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.86 1pcp n MET 99 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.70 1pcp n MET 99 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 175.97 174.84 1pcp n SER 100 N 1.27 0.00 0.00 3.17 3.41 -1.26 -4.84 113.62 115.37 1pcp n SER 100 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1pcp n SER 100 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1pcp n SER 100 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1pcp n VAL 101 N 1.32 0.00 -1.08 -3.33 0.24 -1.26 -4.86 118.33 109.36 1pcp n VAL 101 Ca 0.00 0.14 0.00 0.00 -2.04 0.00 0.00 64.34 62.44 1pcp n VAL 101 Cb 0.00 -0.47 0.00 0.00 -1.47 0.00 0.00 33.84 31.90 1pcp n VAL 101 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1pcp n GLU 102 N 0.00 0.00 -0.39 7.34 1.02 -1.26 -4.95 120.64 122.40 1pcp n GLU 102 Ca 0.00 0.02 -0.00 0.00 -0.02 0.00 0.00 57.16 57.15 1pcp n GLU 102 Cb 0.00 -1.95 0.14 0.00 -0.02 0.00 0.00 31.44 29.60 1pcp n GLU 102 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1pcp n ASP 103 N 1.11 3.00 -4.04 1.62 2.03 -1.26 -4.95 116.55 114.06 1pcp n ASP 103 Ca 0.00 -2.44 -0.36 0.00 0.52 0.00 0.00 54.79 52.51 1pcp n ASP 103 Cb 0.26 -0.59 0.05 0.00 -0.72 0.00 0.00 41.12 40.12 1pcp n ASP 103 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1pcp s HIS 105 N -2.04 0.81 -0.43 0.00 -3.43 -1.26 -4.83 115.29 104.12 1pcp s HIS 105 Ca 0.41 -1.15 0.03 0.00 -0.80 0.00 0.00 55.06 53.56 1pcp s HIS 105 Cb -0.17 0.14 0.03 0.00 -1.43 0.00 0.00 32.58 31.14 1pcp s HIS 105 CO 0.81 -1.22 0.61 0.66 -2.00 0.00 0.00 174.74 173.59