#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 -4.16 0.04 5.31 5.02 -1.24 -4.86 118.16 118.26 1pcp n LYS 2 Ca 0.00 3.14 -0.09 0.00 -2.02 0.00 0.00 58.31 59.34 1pcp n LYS 2 Cb 0.00 -3.64 -0.06 0.00 -0.02 0.00 0.00 35.03 31.30 1pcp n LYS 2 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 1pcp h PRO 3 N 1.13 -0.19 0.00 1.97 0.13 -1.85 -3.46 132.00 129.74 1pcp h PRO 3 Ca 0.00 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 1pcp h PRO 3 Cb 0.27 0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.44 1pcp h PRO 3 CO 0.00 0.21 0.00 0.00 -0.23 0.00 0.00 178.00 177.98 1pcp n ALA 4 N -2.63 0.00 0.10 -0.56 0.00 -1.26 -4.98 120.51 111.18 1pcp n ALA 4 Ca -0.06 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.43 1pcp n ALA 4 Cb 0.24 0.00 0.30 0.00 0.00 0.00 0.00 19.45 19.98 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 0.00 0.84 0.25 0.00 0.00 -1.26 -1.12 120.51 119.21 1pcp n ALA 5 Ca 0.00 0.10 -0.16 0.00 0.00 0.00 0.00 53.44 53.39 1pcp n ALA 5 Cb 0.00 -0.97 -0.08 0.00 0.00 0.00 0.00 19.45 18.39 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 -5.32 1.59 0.00 0.00 1.85 -0.28 -3.46 116.66 111.04 1pcp n ARG 7 Ca -0.11 -0.99 0.00 0.00 -1.00 0.00 0.00 57.85 55.75 1pcp n ARG 7 Cb 0.26 -1.48 0.00 0.00 -1.05 0.00 0.00 32.46 30.19 1pcp n ARG 7 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1pcp n SER 9 N -2.15 6.04 0.00 0.00 3.41 0.68 -4.27 113.62 117.33 1pcp n SER 9 Ca 0.00 -3.54 0.00 0.00 -0.26 0.00 0.00 58.87 55.07 1pcp n SER 9 Cb 0.00 -1.05 0.00 0.00 -0.26 0.00 0.00 64.21 62.90 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 0.61 0.00 0.00 4.33 3.00 -1.26 -4.32 116.66 119.02 1pcp n ARG 10 Ca 0.34 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.19 1pcp n ARG 10 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.79 1pcp n ARG 10 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.63 178.57 1pcp n GLN 11 N 0.00 0.00 -3.68 -0.14 7.27 -1.26 -4.86 117.38 114.71 1pcp n GLN 11 Ca 0.00 0.00 -0.14 0.00 0.07 0.00 0.00 57.00 56.93 1pcp n GLN 11 Cb 0.00 0.00 -0.08 0.00 2.41 0.00 0.00 30.24 32.57 1pcp n GLN 11 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 1pcp s ASP 12 N -1.49 -0.44 0.00 1.69 -1.08 -1.26 -4.97 116.67 109.12 1pcp s ASP 12 Ca 0.00 0.61 -0.04 0.00 -0.52 0.00 0.00 52.55 52.60 1pcp s ASP 12 Cb 0.00 0.65 -0.19 0.00 -1.46 0.00 0.00 42.92 41.92 1pcp s ASP 12 CO 0.00 -0.37 2.79 -0.81 0.52 0.00 0.00 175.17 177.30 1pcp n PRO 13 N 1.81 1.47 0.00 4.34 -0.04 -1.26 -4.27 135.00 137.05 1pcp n PRO 13 Ca -0.18 -0.72 0.00 0.00 -0.04 0.00 0.00 63.50 62.57 1pcp n PRO 13 Cb 0.56 -1.84 0.00 0.00 -0.04 0.00 0.00 33.50 32.18 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 2.58 0.00 0.00 0.54 4.81 -1.26 -4.93 118.16 119.90 1pcp n LYS 14 Ca 0.31 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.75 1pcp n LYS 14 Cb 0.68 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.73 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 0.15 -3.68 3.14 5.03 -1.26 -5.04 115.26 113.60 1pcp n ASN 15 Ca 0.00 -1.02 -0.30 0.00 0.87 0.00 0.00 54.58 54.13 1pcp n ASN 15 Cb 0.00 0.00 0.03 0.00 -1.02 0.00 0.00 39.78 38.79 1pcp n ASN 15 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 1pcp n ARG 16 N -0.01 -1.16 -2.42 3.52 1.74 -1.26 -4.91 116.66 112.16 1pcp n ARG 16 Ca 0.00 0.54 -0.15 0.00 -0.77 0.00 0.00 57.85 57.47 1pcp n ARG 16 Cb 0.25 -3.91 0.03 0.00 -1.02 0.00 0.00 32.46 27.81 1pcp n ARG 16 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1pcp n VAL 17 N -3.90 1.93 -1.69 1.55 0.31 -1.26 -5.08 118.33 110.18 1pcp n VAL 17 Ca -0.11 -3.75 -0.40 0.00 -0.01 0.00 0.00 64.34 60.07 1pcp n VAL 17 Cb 0.59 -0.14 0.02 0.00 -0.91 0.00 0.00 33.84 33.41 1pcp n VAL 17 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 1pcp n ASN 18 N -0.58 2.21 -0.27 4.52 5.15 -1.26 -2.76 115.26 122.27 1pcp n ASN 18 Ca 0.27 1.03 0.00 0.00 -0.60 0.00 0.00 54.58 55.29 1pcp n ASN 18 Cb 0.86 -1.49 0.00 0.00 -0.53 0.00 0.00 39.78 38.62 1pcp n ASN 18 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1pcp n GLY 20 N 0.00 4.12 3.33 0.00 0.00 -1.14 -4.82 105.19 106.68 1pcp n GLY 20 Ca 0.00 -0.72 -0.17 0.00 0.00 0.00 0.00 46.02 45.13 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 -0.34 1.58 -2.00 1.61 -0.71 -1.26 -4.95 117.98 111.91 1pcp s PHE 21 Ca 0.00 -0.75 0.24 0.00 -1.04 0.00 0.00 56.93 55.38 1pcp s PHE 21 Cb 0.00 -0.84 1.41 0.00 -1.21 0.00 0.00 43.02 42.38 1pcp s PHE 21 CO 0.00 0.15 1.78 -0.35 -1.34 0.00 0.00 175.22 175.46 1pcp n PRO 22 N -0.37 0.75 -0.17 1.99 -0.04 -1.26 -2.13 135.00 133.76 1pcp n PRO 22 Ca -0.07 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.44 1pcp n PRO 22 Cb 0.62 -1.49 0.15 0.00 -0.04 0.00 0.00 33.50 32.73 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 0.49 2.86 2.40 0.55 0.00 -1.26 -5.01 105.19 105.22 1pcp n GLY 23 Ca 0.18 -0.38 -0.21 0.00 0.00 0.00 0.00 46.02 45.61 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 0.37 0.00 -2.30 -0.61 3.06 -0.90 -5.00 119.36 113.97 1pcp n ILE 24 Ca 0.11 -0.27 0.04 0.00 -2.50 0.00 0.00 62.75 60.13 1pcp n ILE 24 Cb 0.43 -1.07 0.04 0.00 0.54 0.00 0.00 39.64 39.59 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 -4.31 0.31 0.00 9.51 -2.24 -1.26 -5.03 114.28 111.26 1pcp n THR 25 Ca 0.10 -1.18 0.00 0.00 -2.27 0.00 0.00 64.05 60.71 1pcp n THR 25 Cb 0.41 0.76 0.00 0.00 -2.10 0.00 0.00 70.33 69.41 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 0.20 0.00 -0.12 3.42 3.41 -1.26 -4.21 113.62 115.07 1pcp n SER 26 Ca 0.07 0.00 -0.04 0.00 -0.26 0.00 0.00 58.87 58.64 1pcp n SER 26 Cb 1.03 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.94 1pcp n SER 26 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1pcp h ASP 27 N 0.00 -0.73 -0.23 4.04 5.19 -1.95 2.47 116.42 125.20 1pcp h ASP 27 Ca 0.00 0.11 0.07 0.00 -0.62 0.00 0.00 57.03 56.58 1pcp h ASP 27 Cb 0.00 0.32 -0.01 0.00 0.18 0.00 0.00 39.33 39.82 1pcp h ASP 27 CO 0.00 -0.10 0.57 1.56 -3.12 0.00 0.00 179.24 178.15 1pcp h GLN 28 N -0.04 0.00 0.08 3.56 1.08 -1.99 1.60 115.11 119.40 1pcp h GLN 28 Ca 0.05 0.00 -0.31 0.00 -1.45 0.00 0.00 58.65 56.94 1pcp h GLN 28 Cb 0.16 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.57 1pcp h GLN 28 CO -0.29 0.00 -1.64 0.00 -0.95 0.00 0.00 178.83 175.94 1pcp n PHE 30 N -3.34 0.35 0.92 0.00 3.72 0.66 -2.60 117.46 117.17 1pcp n PHE 30 Ca -0.19 -0.88 0.00 0.00 -0.05 0.00 0.00 57.45 56.34 1pcp n PHE 30 Cb 1.04 -0.44 0.00 0.00 -0.94 0.00 0.00 39.48 39.14 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 0.67 0.00 -0.99 4.37 -1.04 -1.09 -3.72 114.28 112.48 1pcp n THR 31 Ca 0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.08 1pcp n THR 31 Cb 0.59 -0.34 0.00 0.00 -1.82 0.00 0.00 70.33 68.76 1pcp n THR 31 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1pcp n SER 32 N 0.00 -0.08 -0.12 8.00 3.41 -1.26 -4.83 113.62 118.74 1pcp n SER 32 Ca 0.00 0.00 -0.22 0.00 -0.26 0.00 0.00 58.87 58.39 1pcp n SER 32 Cb 0.16 -0.01 -0.07 0.00 -0.26 0.00 0.00 64.21 64.03 1pcp n SER 32 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1pcp n GLY 33 N -2.03 -0.46 3.57 5.00 0.00 -1.26 -4.62 105.19 105.40 1pcp n GLY 33 Ca 0.00 -0.20 -0.26 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.53 -0.68 0.00 0.00 2.19 -1.26 -0.65 117.98 115.05 1pcp s PHE 36 Ca 0.35 1.35 0.00 0.00 0.33 0.00 0.00 56.93 58.96 1pcp s PHE 36 Cb 0.00 0.21 0.00 0.00 -1.31 0.00 0.00 43.02 41.92 1pcp s PHE 36 CO 0.19 -0.43 0.00 -3.47 1.83 0.00 0.00 175.22 173.34 1pcp n ASP 37 N 5.29 0.00 -0.13 6.13 -0.08 -1.05 -4.91 116.55 121.80 1pcp n ASP 37 Ca -0.09 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.19 1pcp n ASP 37 Cb 0.50 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.96 1pcp n ASP 37 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 1pcp n SER 38 N -1.69 -0.23 0.10 1.67 7.64 -1.26 -5.01 113.62 114.84 1pcp n SER 38 Ca 0.00 0.00 0.12 0.00 1.01 0.00 0.00 58.87 60.00 1pcp n SER 38 Cb 0.00 -0.06 0.19 0.00 -1.01 0.00 0.00 64.21 63.34 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 0.00 0.00 -4.51 1.43 4.20 -1.94 -3.43 115.11 110.86 1pcp h GLN 39 Ca 0.00 0.00 -0.60 0.00 0.06 0.00 0.00 58.65 58.11 1pcp h GLN 39 Cb 0.11 0.00 -0.37 0.00 0.30 0.00 0.00 27.48 27.53 1pcp h GLN 39 CO 0.00 0.00 -0.81 0.08 -0.67 0.00 0.00 178.83 177.43 1pcp s VAL 40 N -3.19 1.51 -0.79 -0.54 1.01 -1.26 -5.04 120.40 112.10 1pcp s VAL 40 Ca 0.06 -0.82 -0.26 0.00 0.00 0.00 0.00 61.98 60.97 1pcp s VAL 40 Cb 0.11 -1.55 0.00 0.00 0.00 0.00 0.00 36.38 34.94 1pcp s VAL 40 CO 0.70 0.25 1.62 -2.16 0.00 0.00 0.00 175.10 175.50 1pcp s PRO 41 N 1.47 2.98 0.00 2.72 0.04 -1.26 -3.27 135.00 137.68 1pcp s PRO 41 Ca 0.01 -0.17 0.00 0.00 0.04 0.00 0.00 61.00 60.88 1pcp s PRO 41 Cb -0.15 -4.64 0.00 0.00 0.04 0.00 0.00 34.50 29.75 1pcp s PRO 41 CO -0.09 -2.57 0.00 0.41 0.04 0.00 0.00 177.00 174.79 1pcp n GLY 42 N 6.06 3.10 3.53 0.56 0.00 -1.26 -5.13 105.19 112.04 1pcp n GLY 42 Ca 0.21 -0.46 -0.30 0.00 0.00 0.00 0.00 46.02 45.48 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 0.00 1.57 -0.22 1.61 -7.23 -1.20 -4.92 120.40 110.00 1pcp s VAL 43 Ca 0.00 0.00 -0.29 0.00 -1.81 0.00 0.00 61.98 59.88 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 1.31 -2.16 -0.31 0.00 0.00 175.10 173.94 1pcp s PRO 44 N -5.23 4.07 0.14 4.82 0.04 -1.26 -4.88 135.00 132.69 1pcp s PRO 44 Ca 0.70 1.50 0.05 0.00 0.04 0.00 0.00 61.00 63.28 1pcp s PRO 44 Cb -0.12 -3.83 -0.12 0.00 0.04 0.00 0.00 34.50 30.47 1pcp s PRO 44 CO 0.57 -0.92 1.32 -1.49 0.04 0.00 0.00 177.00 176.52 1pcp h TRP 45 N 8.84 0.13 -3.51 0.56 6.55 -1.91 -3.42 115.95 123.19 1pcp h TRP 45 Ca -0.27 -0.08 -0.62 0.00 0.95 0.00 0.00 58.89 58.87 1pcp h TRP 45 Cb 1.11 -0.01 -0.12 0.00 -0.86 0.00 0.00 29.16 29.27 1pcp h TRP 45 CO 0.84 0.99 0.44 0.00 -1.05 0.00 0.00 178.44 179.67 1pcp n PHE 47 N 6.97 0.00 -3.43 0.00 1.16 0.17 0.22 117.46 122.56 1pcp n PHE 47 Ca 0.03 0.00 -0.31 0.00 -1.87 0.00 0.00 57.45 55.29 1pcp n PHE 47 Cb 0.48 0.00 -0.05 0.00 -1.61 0.00 0.00 39.48 38.30 1pcp n PHE 47 CO 0.00 0.00 0.00 0.15 -1.87 0.00 0.00 176.76 175.04 1pcp s LYS 48 N 0.28 3.76 -0.92 3.97 3.01 -1.11 0.29 119.74 129.02 1pcp s LYS 48 Ca 0.00 0.21 -0.07 0.00 -1.01 0.00 0.00 55.97 55.10 1pcp s LYS 48 Cb 0.00 -2.66 -0.10 0.00 -1.01 0.00 0.00 37.83 34.06 1pcp s LYS 48 CO 0.00 0.32 2.57 -0.35 0.51 0.00 0.00 175.35 178.39 1pcp n PRO 49 N -0.21 2.47 0.00 -1.68 -0.04 -1.26 -4.60 135.00 129.67 1pcp n PRO 49 Ca -0.00 -1.52 0.00 0.00 -0.04 0.00 0.00 63.50 61.94 1pcp n PRO 49 Cb 0.52 -2.42 0.00 0.00 -0.04 0.00 0.00 33.50 31.56 1pcp n PRO 49 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1pcp n LEU 50 N 3.62 0.00 -4.77 1.53 0.00 -1.00 -4.73 117.00 111.64 1pcp n LEU 50 Ca 0.53 0.00 -0.29 0.00 0.00 0.00 0.00 56.01 56.24 1pcp n LEU 50 Cb 0.30 0.00 0.18 0.00 0.00 0.00 0.00 43.42 43.90 1pcp n LEU 50 CO 0.62 0.00 0.74 -2.16 0.00 0.00 0.00 177.39 176.59 1pcp s PRO 51 N 0.00 0.29 0.00 1.96 0.04 -1.26 -4.58 135.00 131.46 1pcp s PRO 51 Ca 0.00 -0.03 0.00 0.00 0.04 0.00 0.00 61.00 61.01 1pcp s PRO 51 Cb 0.00 -1.77 0.00 0.00 0.04 0.00 0.00 34.50 32.77 1pcp s PRO 51 CO 0.00 -2.71 0.00 0.00 0.04 0.00 0.00 177.00 174.33 1pcp n ALA 52 N -4.06 0.00 -1.09 8.56 0.00 -1.26 -4.95 120.51 117.71 1pcp n ALA 52 Ca 0.11 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.68 1pcp n ALA 52 Cb 0.59 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.97 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 -2.53 0.00 0.00 1.13 -1.26 -4.26 117.38 110.46 1pcp n GLN 53 Ca 0.00 2.08 0.09 0.00 -1.94 0.00 0.00 57.00 57.23 1pcp n GLN 53 Cb 0.00 -2.96 0.50 0.00 0.11 0.00 0.00 30.24 27.89 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 -3.77 0.40 -2.71 -1.09 0.28 -1.26 -4.74 120.64 107.75 1pcp n GLU 54 Ca -0.07 0.07 -0.21 0.00 -0.16 0.00 0.00 57.16 56.78 1pcp n GLU 54 Cb 0.52 -1.50 0.06 0.00 1.43 0.00 0.00 31.44 31.95 1pcp n GLU 54 CO 0.00 0.00 0.00 -1.12 -0.16 0.00 0.00 177.13 175.85 1pcp s SER 55 N -2.33 5.03 0.00 -1.84 0.01 -1.26 -5.03 113.70 108.29 1pcp s SER 55 Ca 0.22 -0.26 0.00 0.00 1.31 0.00 0.00 55.95 57.22 1pcp s SER 55 Cb 0.12 -0.46 0.00 0.00 0.21 0.00 0.00 66.02 65.90 1pcp s SER 55 CO 0.25 -1.33 0.69 -0.62 0.41 0.00 0.00 173.24 172.64 1pcp n GLU 56 N -2.42 0.74 -0.00 12.44 1.02 -1.26 -4.59 120.64 126.57 1pcp n GLU 56 Ca 0.11 -0.90 0.03 0.00 -0.02 0.00 0.00 57.16 56.38 1pcp n GLU 56 Cb 0.60 -0.97 -0.05 0.00 -0.02 0.00 0.00 31.44 31.01 1pcp n GLU 56 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1pcp n GLU 57 N -0.21 1.15 -0.04 3.49 1.02 -1.26 -4.41 120.64 120.38 1pcp n GLU 57 Ca 0.00 -0.05 0.08 0.00 -0.02 0.00 0.00 57.16 57.17 1pcp n GLU 57 Cb 0.13 -1.08 0.37 0.00 -0.02 0.00 0.00 31.44 30.84 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 -1.89 4.26 0.00 0.00 1.01 -1.26 -4.89 120.40 117.63 1pcp s VAL 59 Ca 0.24 1.55 0.00 0.00 0.00 0.00 0.00 61.98 63.77 1pcp s VAL 59 Cb 0.12 -4.00 0.00 0.00 0.00 0.00 0.00 36.38 32.51 1pcp s VAL 59 CO 0.19 -0.10 0.00 1.15 0.00 0.00 0.00 175.10 176.34 1pcp n MET 60 N 6.23 0.00 -2.18 2.72 0.00 -1.26 -4.92 117.12 117.71 1pcp n MET 60 Ca 0.13 0.00 -0.28 0.00 0.00 0.00 0.00 57.70 57.55 1pcp n MET 60 Cb 0.45 0.00 0.04 0.00 0.00 0.00 0.00 33.22 33.71 1pcp n MET 60 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 175.97 175.32 1pcp s GLN 61 N -2.00 2.78 0.63 3.17 1.11 -1.26 -4.90 119.66 119.19 1pcp s GLN 61 Ca 0.00 0.14 0.25 0.00 0.01 0.00 0.00 55.36 55.76 1pcp s GLN 61 Cb 0.00 -2.16 1.29 0.00 -1.01 0.00 0.00 33.01 31.13 1pcp s GLN 61 CO 0.00 -0.91 1.72 0.28 0.01 0.00 0.00 175.29 176.39 1pcp h VAL 62 N -0.42 0.14 -1.85 1.09 2.07 -2.00 0.10 116.25 115.38 1pcp h VAL 62 Ca -0.45 0.00 -0.73 0.00 0.82 0.00 0.00 66.70 66.34 1pcp h VAL 62 Cb 1.26 0.49 -0.25 0.00 -1.52 0.00 0.00 31.29 31.27 1pcp h VAL 62 CO 0.62 0.00 0.99 -0.24 0.02 0.00 0.00 177.57 178.96 1pcp n SER 63 N -3.19 7.35 0.03 0.57 2.88 -1.26 -4.21 113.62 115.80 1pcp n SER 63 Ca 0.05 -3.69 0.00 0.00 -1.33 0.00 0.00 58.87 53.90 1pcp n SER 63 Cb 0.70 -1.12 0.00 0.00 -0.75 0.00 0.00 64.21 63.04 1pcp n SER 63 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1pcp n ALA 64 N -0.18 1.66 -0.96 -1.46 0.00 0.35 -5.12 120.51 114.81 1pcp n ALA 64 Ca 0.53 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.62 1pcp n ALA 64 Cb 0.29 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.77 1pcp n ALA 64 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1pcp n ARG 65 N -2.67 0.00 -2.04 0.00 3.00 -1.24 -4.90 116.66 108.82 1pcp n ARG 65 Ca 0.00 0.00 -0.19 0.00 -0.01 0.00 0.00 57.85 57.65 1pcp n ARG 65 Cb 0.00 -0.94 0.03 0.00 0.00 0.00 0.00 32.46 31.55 1pcp n ARG 65 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1pcp n LYS 66 N 2.28 3.26 -2.67 5.56 4.76 -1.26 -4.94 118.16 125.14 1pcp n LYS 66 Ca -0.01 -4.03 0.00 0.00 -2.87 0.00 0.00 58.31 51.40 1pcp n LYS 66 Cb 0.52 -2.15 0.00 0.00 -1.84 0.00 0.00 35.03 31.56 1pcp n LYS 66 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 1pcp n ASN 67 N -0.71 -5.31 -4.78 4.39 6.94 -1.26 -4.65 115.26 109.87 1pcp n ASN 67 Ca 0.38 0.33 -0.33 0.00 -0.02 0.00 0.00 54.58 54.94 1pcp n ASN 67 Cb 0.94 -1.27 -0.06 0.00 -2.36 0.00 0.00 39.78 37.03 1pcp n ASN 67 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1pcp n GLY 69 N -1.33 0.08 3.37 0.00 0.00 -1.24 -4.23 105.19 101.84 1pcp n GLY 69 Ca -0.19 -0.39 -0.19 0.00 0.00 0.00 0.00 46.02 45.25 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 1.71 -2.00 1.61 1.13 -1.26 -4.93 117.35 113.61 1pcp s TYR 70 Ca 0.00 -0.91 0.20 0.00 -1.41 0.00 0.00 57.07 54.95 1pcp s TYR 70 Cb 0.00 -1.02 1.19 0.00 -1.10 0.00 0.00 41.96 41.02 1pcp s TYR 70 CO 0.00 0.01 1.62 -0.35 -2.51 0.00 0.00 175.55 174.31 1pcp n PRO 71 N -0.51 0.75 0.00 -3.49 -0.04 -1.26 -2.09 135.00 128.36 1pcp n PRO 71 Ca -0.04 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.50 1pcp n PRO 71 Cb 0.65 -1.41 -0.09 0.00 -0.04 0.00 0.00 33.50 32.60 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 0.45 -0.51 3.88 0.55 0.00 -1.26 -4.98 105.19 103.32 1pcp n GLY 72 Ca 0.15 -0.46 -0.31 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.51 4.07 0.58 -0.61 2.07 -0.89 -5.09 121.20 118.83 1pcp s ILE 73 Ca 0.06 0.67 0.08 0.00 -1.41 0.00 0.00 60.65 60.06 1pcp s ILE 73 Cb 0.12 -3.67 0.08 0.00 0.13 0.00 0.00 42.46 39.13 1pcp s ILE 73 CO 0.66 -0.88 0.67 -0.24 -1.91 0.00 0.00 174.94 173.24 1pcp n SER 74 N -2.88 2.41 0.00 4.50 2.88 -1.26 -4.92 113.62 114.35 1pcp n SER 74 Ca 0.06 -2.72 0.00 0.00 -1.33 0.00 0.00 58.87 54.89 1pcp n SER 74 Cb 0.56 -0.29 0.00 0.00 -0.75 0.00 0.00 64.21 63.73 1pcp n SER 74 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1pcp n PRO 75 N -2.12 0.00 0.15 -1.46 -0.04 -1.26 0.18 135.00 130.46 1pcp n PRO 75 Ca 0.10 0.30 0.09 0.00 -0.04 0.00 0.00 63.50 63.94 1pcp n PRO 75 Cb 0.63 -0.92 0.46 0.00 -0.04 0.00 0.00 33.50 33.63 1pcp n PRO 75 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1pcp n GLU 76 N -1.39 0.11 -0.10 0.54 1.02 -1.26 -1.19 120.64 118.37 1pcp n GLU 76 Ca 0.00 0.60 -0.19 0.00 -0.02 0.00 0.00 57.16 57.54 1pcp n GLU 76 Cb 0.00 -1.99 -0.10 0.00 -0.02 0.00 0.00 31.44 29.32 1pcp n GLU 76 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1pcp h ASP 77 N 0.00 0.00 -0.43 1.62 5.19 -1.90 -2.58 116.42 118.33 1pcp h ASP 77 Ca 0.00 -0.48 0.07 0.00 -0.62 0.00 0.00 57.03 56.00 1pcp h ASP 77 Cb 0.25 0.00 -0.09 0.00 0.18 0.00 0.00 39.33 39.67 1pcp h ASP 77 CO 0.00 1.37 -0.46 0.00 -3.12 0.00 0.00 179.24 177.03 1pcp h ALA 79 N 0.34 1.02 -0.22 0.00 0.00 -1.30 1.76 119.26 120.86 1pcp h ALA 79 Ca 0.13 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1pcp h ALA 79 Cb 0.59 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 1pcp h ALA 79 CO -0.59 0.63 0.00 0.00 0.00 0.00 0.00 179.25 179.29 1pcp n ALA 80 N -2.42 3.03 0.00 0.00 0.00 0.73 -3.90 120.51 117.94 1pcp n ALA 80 Ca 0.07 -0.72 0.00 0.00 0.00 0.00 0.00 53.44 52.79 1pcp n ALA 80 Cb 0.18 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.58 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 0.23 0.00 0.00 0.00 5.12 1.25 -4.87 116.66 118.39 1pcp n ARG 81 Ca 0.10 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.02 1pcp n ARG 81 Cb 0.61 -0.26 0.00 0.00 -1.16 0.00 0.00 32.46 31.65 1pcp n ARG 81 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 1pcp n ASN 82 N -2.62 0.00 0.00 0.55 0.23 0.58 -5.03 115.26 108.97 1pcp n ASN 82 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 1pcp n ASN 82 Cb 0.21 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.91 1pcp n ASN 82 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1pcp s PHE 85 N -3.16 -0.11 -0.44 0.00 2.19 -1.23 -2.09 117.98 113.14 1pcp s PHE 85 Ca 0.65 -0.16 0.02 0.00 0.33 0.00 0.00 56.93 57.77 1pcp s PHE 85 Cb -0.16 -0.55 0.15 0.00 -1.31 0.00 0.00 43.02 41.16 1pcp s PHE 85 CO 0.55 -0.69 0.28 0.45 1.83 0.00 0.00 175.22 177.65 1pcp s SER 86 N 2.25 3.02 0.00 6.13 0.15 0.22 -4.85 113.70 120.62 1pcp s SER 86 Ca 0.07 -2.75 0.24 0.00 0.70 0.00 0.00 55.95 54.21 1pcp s SER 86 Cb -0.15 -0.77 1.43 0.00 -1.71 0.00 0.00 66.02 64.81 1pcp s SER 86 CO -0.20 -0.23 1.80 -0.90 1.20 0.00 0.00 173.24 174.91 1pcp n ASP 87 N 3.33 0.00 -0.19 5.45 5.68 -1.26 -4.03 116.55 125.53 1pcp n ASP 87 Ca 0.16 -0.79 0.18 0.00 -0.50 0.00 0.00 54.79 53.84 1pcp n ASP 87 Cb 0.39 0.00 0.32 0.00 -1.14 0.00 0.00 41.12 40.68 1pcp n ASP 87 CO 0.00 0.00 0.00 1.07 -1.33 0.00 0.00 177.20 176.94 1pcp n THR 88 N -0.99 -0.19 -5.17 2.12 5.66 -1.26 -3.69 114.28 110.76 1pcp n THR 88 Ca 0.18 1.01 -0.31 0.00 -3.05 0.00 0.00 64.05 61.88 1pcp n THR 88 Cb 0.08 -1.64 -0.17 0.00 -1.55 0.00 0.00 70.33 67.06 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 -4.68 1.93 0.47 1.09 1.09 -1.26 -5.12 121.20 114.72 1pcp s ILE 89 Ca -0.04 -0.98 -0.21 0.00 -1.10 0.00 0.00 60.65 58.31 1pcp s ILE 89 Cb 0.17 -1.65 -0.09 0.00 -1.06 0.00 0.00 42.46 39.83 1pcp s ILE 89 CO 0.41 0.54 1.04 -2.16 -0.10 0.00 0.00 174.94 174.67 1pcp s PRO 90 N 0.03 3.88 0.00 2.79 0.04 -1.24 -4.03 135.00 136.47 1pcp s PRO 90 Ca -0.08 1.40 0.00 0.00 0.04 0.00 0.00 61.00 62.36 1pcp s PRO 90 Cb -0.15 -2.20 0.00 0.00 0.04 0.00 0.00 34.50 32.20 1pcp s PRO 90 CO 0.05 -0.37 0.00 0.39 0.04 0.00 0.00 177.00 177.11 1pcp n GLU 91 N -0.76 0.00 -0.95 4.56 1.02 -1.26 -4.98 120.64 118.28 1pcp n GLU 91 Ca 0.08 0.00 -0.35 0.00 -0.02 0.00 0.00 57.16 56.87 1pcp n GLU 91 Cb 0.52 0.00 0.04 0.00 -0.02 0.00 0.00 31.44 31.97 1pcp n GLU 91 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 1pcp n VAL 92 N 0.00 0.00 -2.31 2.62 0.24 -1.26 -4.66 118.33 112.96 1pcp n VAL 92 Ca 0.00 -0.35 -0.34 0.00 -2.04 0.00 0.00 64.34 61.61 1pcp n VAL 92 Cb 0.00 0.00 -0.04 0.00 -1.47 0.00 0.00 33.84 32.33 1pcp n VAL 92 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1pcp s PRO 93 N -1.89 3.07 0.29 7.34 0.04 -1.26 -4.80 135.00 137.79 1pcp s PRO 93 Ca 0.37 -0.68 0.04 0.00 0.04 0.00 0.00 61.00 60.77 1pcp s PRO 93 Cb -0.10 -5.18 0.73 0.00 0.04 0.00 0.00 34.50 29.99 1pcp s PRO 93 CO 0.74 -2.77 1.71 -1.49 0.04 0.00 0.00 177.00 175.23 1pcp h TRP 94 N 10.61 0.74 -3.60 0.56 6.55 -1.83 -3.32 115.95 125.66 1pcp h TRP 94 Ca 0.13 0.04 -0.65 0.00 0.95 0.00 0.00 58.89 59.36 1pcp h TRP 94 Cb 1.01 -0.19 -0.16 0.00 -0.86 0.00 0.00 29.16 28.97 1pcp h TRP 94 CO 1.24 0.02 -0.07 0.00 -1.05 0.00 0.00 178.44 178.58 1pcp n PHE 96 N 5.75 0.03 -4.11 0.00 -1.74 -0.89 0.21 117.46 116.72 1pcp n PHE 96 Ca -0.05 -0.18 -0.34 0.00 -0.56 0.00 0.00 57.45 56.32 1pcp n PHE 96 Cb 0.49 -0.01 -0.10 0.00 1.52 0.00 0.00 39.48 41.38 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 -1.50 3.19 -0.48 2.97 0.40 -1.26 -0.66 117.98 120.63 1pcp s PHE 97 Ca 0.01 -0.03 -0.28 0.00 -0.60 0.00 0.00 56.93 56.02 1pcp s PHE 97 Cb 0.00 -2.05 0.01 0.00 0.51 0.00 0.00 43.02 41.49 1pcp s PHE 97 CO 0.01 0.10 1.45 -1.25 0.70 0.00 0.00 175.22 176.22 1pcp s PRO 98 N 0.39 3.41 0.00 0.24 0.04 -1.26 -4.64 135.00 133.17 1pcp s PRO 98 Ca 0.01 0.74 0.00 0.00 0.04 0.00 0.00 61.00 61.79 1pcp s PRO 98 Cb -0.13 -4.09 0.00 0.00 0.04 0.00 0.00 34.50 30.32 1pcp s PRO 98 CO 0.01 -1.78 0.00 0.00 0.04 0.00 0.00 177.00 175.27 1pcp n MET 99 N 8.38 -2.03 -0.92 4.56 0.00 -1.26 -5.05 117.12 120.80 1pcp n MET 99 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.85 1pcp n MET 99 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.71 1pcp n MET 99 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 1pcp n SER 100 N 1.50 -2.71 0.00 3.17 2.88 -1.26 -5.01 113.62 112.20 1pcp n SER 100 Ca 0.00 0.16 0.00 0.00 -1.33 0.00 0.00 58.87 57.70 1pcp n SER 100 Cb 0.00 -1.40 0.00 0.00 -0.75 0.00 0.00 64.21 62.06 1pcp n SER 100 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 1pcp n VAL 101 N 0.18 0.00 -2.30 2.46 0.24 -1.26 -4.98 118.33 112.66 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 -2.78 -0.97 7.34 2.13 -1.26 -4.37 120.64 120.73 1pcp n GLU 102 Ca 0.00 0.00 -0.03 0.00 0.66 0.00 0.00 57.16 57.79 1pcp n GLU 102 Cb 0.00 -4.20 -0.02 0.00 0.27 0.00 0.00 31.44 27.49 1pcp n GLU 102 CO 0.00 0.00 0.00 -0.40 -0.41 0.00 0.00 177.13 176.32 1pcp n ASP 103 N -1.29 -0.56 -0.04 4.31 5.75 -1.26 -4.94 116.55 118.51 1pcp n ASP 103 Ca 0.00 -1.14 -0.00 0.00 -0.01 0.00 0.00 54.79 53.64 1pcp n ASP 103 Cb 0.45 0.19 -0.15 0.00 -1.03 0.00 0.00 41.12 40.57 1pcp n ASP 103 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1pcp n HIS 105 N -2.58 -1.36 1.71 0.00 1.44 -1.26 -3.54 115.22 109.63 1pcp n HIS 105 Ca -0.18 0.30 0.14 0.00 -2.01 0.00 0.00 57.72 55.97 1pcp n HIS 105 Cb 0.87 -0.95 0.81 0.00 0.12 0.00 0.00 29.99 30.84 1pcp n HIS 105 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19