#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 0.00 0.00 5.31 4.81 -1.21 -4.78 118.16 122.29 1pcp n LYS 2 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1pcp n LYS 2 Cb 0.00 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 33.55 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 8.20 -0.28 0.00 1.64 -0.04 -1.26 -5.08 135.00 138.19 1pcp n PRO 3 Ca 0.63 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 64.09 1pcp n PRO 3 Cb 0.01 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.47 1pcp n PRO 3 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1pcp n ALA 4 N -3.00 0.00 0.00 0.55 0.00 -1.26 -5.03 120.51 111.77 1pcp n ALA 4 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1pcp n ALA 4 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -3.00 1.98 0.40 0.00 0.00 -1.26 -4.59 120.51 114.04 1pcp n ALA 5 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.50 1pcp n ALA 5 Cb 0.00 0.40 0.27 0.00 0.00 0.00 0.00 19.45 20.12 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 -1.56 1.50 0.09 0.00 1.74 -1.26 -4.26 116.66 112.91 1pcp n ARG 7 Ca 0.03 -0.77 0.00 0.00 -0.77 0.00 0.00 57.85 56.34 1pcp n ARG 7 Cb 0.14 -1.27 0.00 0.00 -1.02 0.00 0.00 32.46 30.32 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 -3.22 0.23 -0.74 0.00 3.41 -0.09 0.42 113.62 113.62 1pcp n SER 9 Ca 0.00 -1.47 -0.07 0.00 -0.26 0.00 0.00 58.87 57.07 1pcp n SER 9 Cb 0.03 -1.22 -0.01 0.00 -0.26 0.00 0.00 64.21 62.75 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 7.10 -0.57 -0.08 4.33 3.00 -1.26 -4.85 116.66 124.33 1pcp n ARG 10 Ca 0.43 0.52 -0.02 0.00 -0.00 0.00 0.00 57.85 58.78 1pcp n ARG 10 Cb 0.38 -4.39 -0.02 0.00 0.00 0.00 0.00 32.46 28.42 1pcp n ARG 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1pcp n GLN 11 N -2.13 -0.09 -4.66 -0.14 10.64 0.17 -4.26 117.38 116.91 1pcp n GLN 11 Ca -0.08 0.56 -0.30 0.00 -1.83 0.00 0.00 57.00 55.35 1pcp n GLN 11 Cb 0.44 -0.84 -0.13 0.00 -0.86 0.00 0.00 30.24 28.85 1pcp n GLN 11 CO 0.00 0.00 0.00 0.34 -1.83 0.00 0.00 177.06 175.57 1pcp s ASP 12 N -3.96 3.51 -1.20 2.61 -1.08 -1.26 -4.12 116.67 111.17 1pcp s ASP 12 Ca -0.02 -0.56 -0.09 0.00 -0.52 0.00 0.00 52.55 51.36 1pcp s ASP 12 Cb 0.02 -0.42 -0.07 0.00 -1.46 0.00 0.00 42.92 40.99 1pcp s ASP 12 CO 0.12 0.23 2.41 -0.81 0.52 0.00 0.00 175.17 177.64 1pcp n PRO 13 N 1.43 2.67 -1.15 4.34 -0.04 -1.26 -4.47 135.00 136.52 1pcp n PRO 13 Ca -0.17 -1.86 0.00 0.00 -0.04 0.00 0.00 63.50 61.44 1pcp n PRO 13 Cb 0.52 -2.69 0.00 0.00 -0.04 0.00 0.00 33.50 31.29 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 4.42 0.00 -0.02 0.54 4.81 -1.26 -5.03 118.16 121.61 1pcp n LYS 14 Ca 0.58 0.40 -0.01 0.00 -0.87 0.00 0.00 58.31 58.41 1pcp n LYS 14 Cb 0.21 -0.74 -0.05 0.00 0.02 0.00 0.00 35.03 34.47 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 3.52 0.00 3.14 3.02 -1.26 -4.98 115.26 118.69 1pcp n ASN 15 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1pcp n ASN 15 Cb 0.00 0.85 0.00 0.00 -0.61 0.00 0.00 39.78 40.02 1pcp n ASN 15 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 1pcp n ARG 16 N -2.07 -0.91 -3.75 3.52 0.63 -1.26 -4.96 116.66 107.87 1pcp n ARG 16 Ca -0.07 0.23 -0.36 0.00 -0.92 0.00 0.00 57.85 56.73 1pcp n ARG 16 Cb 0.53 -4.14 -0.06 0.00 0.45 0.00 0.00 32.46 29.24 1pcp n ARG 16 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 1pcp s VAL 17 N -1.57 5.31 0.12 5.15 1.01 -1.26 -4.86 120.40 124.30 1pcp s VAL 17 Ca 0.00 0.28 0.10 0.00 0.00 0.00 0.00 61.98 62.36 1pcp s VAL 17 Cb 0.00 -3.55 -0.04 0.00 0.00 0.00 0.00 36.38 32.79 1pcp s VAL 17 CO 0.00 0.46 -0.24 0.21 0.00 0.00 0.00 175.10 175.53 1pcp s ASN 18 N -1.44 2.96 -0.35 3.32 3.84 -1.26 -4.55 114.94 117.46 1pcp s ASN 18 Ca 0.24 -0.72 0.13 0.00 0.21 0.00 0.00 52.86 52.72 1pcp s ASN 18 Cb -0.13 -0.18 0.45 0.00 -0.55 0.00 0.00 41.25 40.84 1pcp s ASN 18 CO 0.13 0.13 1.06 0.00 -2.79 0.00 0.00 177.10 175.62 1pcp n GLY 20 N -0.37 -0.82 3.22 0.00 0.00 -1.25 -4.58 105.19 101.38 1pcp n GLY 20 Ca 0.24 -0.23 -0.13 0.00 0.00 0.00 0.00 46.02 45.90 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 -4.00 1.11 -2.00 1.61 -0.71 -1.26 -5.02 117.98 107.71 1pcp s PHE 21 Ca 0.00 -0.96 0.22 0.00 -1.04 0.00 0.00 56.93 55.16 1pcp s PHE 21 Cb 0.00 -0.62 1.32 0.00 -1.21 0.00 0.00 43.02 42.51 1pcp s PHE 21 CO 0.00 -0.16 1.72 -0.35 -1.34 0.00 0.00 175.22 175.09 1pcp n PRO 22 N -0.17 0.75 -0.13 1.99 -0.04 -1.26 -2.11 135.00 134.02 1pcp n PRO 22 Ca -0.09 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.41 1pcp n PRO 22 Cb 0.62 -1.46 0.11 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 0.47 2.85 3.61 0.55 0.00 -1.26 -5.03 105.19 106.39 1pcp n GLY 23 Ca 0.17 -0.29 -0.29 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.02 1.89 -0.20 -0.61 2.07 -0.90 -4.99 121.20 117.44 1pcp s ILE 24 Ca 0.17 0.00 0.16 0.00 -1.41 0.00 0.00 60.65 59.57 1pcp s ILE 24 Cb 0.09 -2.41 0.45 0.00 0.13 0.00 0.00 42.46 40.73 1pcp s ILE 24 CO 0.12 0.00 1.18 0.35 -1.91 0.00 0.00 174.94 174.67 1pcp n THR 25 N -4.49 1.61 0.00 4.00 -2.24 -1.26 -5.02 114.28 106.88 1pcp n THR 25 Ca 0.06 -2.96 0.00 0.00 -2.27 0.00 0.00 64.05 58.88 1pcp n THR 25 Cb 0.57 0.12 0.00 0.00 -2.10 0.00 0.00 70.33 68.93 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 -0.54 0.00 -0.04 3.42 3.41 -1.26 -4.23 113.62 114.39 1pcp n SER 26 Ca 0.21 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.81 1pcp n SER 26 Cb 0.89 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.83 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 1.14 -0.11 -0.07 4.04 8.00 -1.26 0.27 116.55 128.56 1pcp n ASP 27 Ca 0.00 1.07 0.24 0.00 0.71 0.00 0.00 54.79 56.81 1pcp n ASP 27 Cb 0.00 -0.47 0.56 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 0.10 -1.24 4.20 -1.98 1.43 115.11 117.62 1pcp h GLN 28 Ca 0.02 0.00 -0.23 0.00 0.06 0.00 0.00 58.65 58.50 1pcp h GLN 28 Cb 0.04 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.82 1pcp h GLN 28 CO -0.09 0.00 -1.16 0.00 -0.67 0.00 0.00 178.83 176.90 1pcp n PHE 30 N -4.07 0.00 0.75 0.00 3.01 0.70 -1.42 117.46 116.43 1pcp n PHE 30 Ca -0.22 0.00 0.08 0.00 1.01 0.00 0.00 57.45 58.31 1pcp n PHE 30 Cb 0.83 -0.41 -0.08 0.00 -0.01 0.00 0.00 39.48 39.80 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 -1.41 0.00 -0.63 4.37 -1.04 0.20 -3.33 114.28 112.45 1pcp n THR 31 Ca 0.05 -0.14 0.09 0.00 -2.04 0.00 0.00 64.05 62.01 1pcp n THR 31 Cb 0.14 1.01 0.37 0.00 -1.82 0.00 0.00 70.33 70.03 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 -1.29 4.90 0.00 8.00 2.88 -0.51 -4.88 113.62 122.72 1pcp n SER 32 Ca 0.03 -2.53 0.00 0.00 -1.33 0.00 0.00 58.87 55.05 1pcp n SER 32 Cb 0.25 -0.60 0.00 0.00 -0.75 0.00 0.00 64.21 63.11 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 1.06 0.44 3.66 0.46 0.00 -1.22 -4.99 105.19 104.60 1pcp n GLY 33 Ca 0.26 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.05 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 -2.66 -0.47 -0.80 0.00 5.36 -1.24 -2.12 117.98 116.05 1pcp s PHE 36 Ca 0.60 -1.10 -0.12 0.00 -0.96 0.00 0.00 56.93 55.34 1pcp s PHE 36 Cb -0.07 -0.24 0.21 0.00 -0.34 0.00 0.00 43.02 42.58 1pcp s PHE 36 CO 0.38 -1.06 0.73 0.34 -1.46 0.00 0.00 175.22 174.15 1pcp s ASP 37 N 0.84 6.55 0.08 6.13 2.15 0.38 -4.84 116.67 127.97 1pcp s ASP 37 Ca 0.26 -2.73 0.26 0.00 0.43 0.00 0.00 52.55 50.77 1pcp s ASP 37 Cb -0.03 -2.16 1.00 0.00 -0.30 0.00 0.00 42.92 41.43 1pcp s ASP 37 CO -0.09 -0.54 1.80 -1.54 -0.17 0.00 0.00 175.17 174.63 1pcp n SER 38 N 3.88 0.30 0.29 -0.34 3.41 -1.26 -3.40 113.62 116.50 1pcp n SER 38 Ca 0.13 0.54 0.09 0.00 -0.26 0.00 0.00 58.87 59.37 1pcp n SER 38 Cb 0.46 -0.61 0.49 0.00 -0.26 0.00 0.00 64.21 64.28 1pcp n SER 38 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 1pcp h GLN 39 N 0.00 0.00 -3.57 4.33 4.20 -1.90 -3.09 115.11 115.08 1pcp h GLN 39 Ca 0.00 0.00 -0.69 0.00 0.06 0.00 0.00 58.65 58.02 1pcp h GLN 39 Cb 0.52 0.00 -0.36 0.00 0.30 0.00 0.00 27.48 27.94 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 -3.83 3.55 -2.00 -0.54 1.01 -1.22 -4.90 120.40 112.48 1pcp s VAL 40 Ca -0.02 -3.01 0.16 0.00 0.00 0.00 0.00 61.98 59.11 1pcp s VAL 40 Cb 0.05 -3.33 0.45 0.00 0.00 0.00 0.00 36.38 33.54 1pcp s VAL 40 CO 0.16 -0.87 1.43 -0.81 0.00 0.00 0.00 175.10 175.02 1pcp n PRO 41 N 3.43 0.75 -0.08 2.72 -0.04 -1.17 -2.08 135.00 138.53 1pcp n PRO 41 Ca 0.07 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.62 1pcp n PRO 41 Cb 0.37 -1.33 0.12 0.00 -0.04 0.00 0.00 33.50 32.62 1pcp n PRO 41 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1pcp n GLY 42 N 0.41 1.00 2.19 0.55 0.00 -1.26 -5.00 105.19 103.07 1pcp n GLY 42 Ca 0.12 -0.50 -0.10 0.00 0.00 0.00 0.00 46.02 45.53 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 0.96 0.00 -2.42 1.61 0.24 -0.88 -5.07 118.33 112.77 1pcp n VAL 43 Ca 0.12 -1.27 -0.43 0.00 -2.04 0.00 0.00 64.34 60.72 1pcp n VAL 43 Cb 0.45 0.74 -0.02 0.00 -1.47 0.00 0.00 33.84 33.53 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 -2.61 4.25 0.00 7.34 0.04 -1.26 -4.89 135.00 137.87 1pcp s PRO 44 Ca 0.21 1.68 -0.25 0.00 0.04 0.00 0.00 61.00 62.68 1pcp s PRO 44 Cb -0.00 -3.74 -0.17 0.00 0.04 0.00 0.00 34.50 30.63 1pcp s PRO 44 CO 0.15 -0.67 1.25 -1.49 0.04 0.00 0.00 177.00 176.28 1pcp h TRP 45 N 8.12 -0.23 -3.57 0.56 6.55 -1.80 -3.40 115.95 122.18 1pcp h TRP 45 Ca -0.28 -0.01 -0.63 0.00 0.95 0.00 0.00 58.89 58.93 1pcp h TRP 45 Cb 1.11 0.08 -0.13 0.00 -0.86 0.00 0.00 29.16 29.36 1pcp h TRP 45 CO 0.79 0.13 0.27 0.00 -1.05 0.00 0.00 178.44 178.57 1pcp n PHE 47 N 6.33 -0.11 -3.67 0.00 1.16 -0.90 0.17 117.46 120.44 1pcp n PHE 47 Ca 0.01 -0.11 -0.36 0.00 -1.87 0.00 0.00 57.45 55.12 1pcp n PHE 47 Cb 0.48 0.01 -0.09 0.00 -1.61 0.00 0.00 39.48 38.28 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 -2.05 4.12 0.19 3.97 0.00 -1.26 -1.07 119.74 123.63 1pcp s LYS 48 Ca 0.02 -0.22 -0.03 0.00 0.00 0.00 0.00 55.97 55.73 1pcp s LYS 48 Cb 0.00 -3.50 0.05 0.00 0.00 0.00 0.00 37.83 34.38 1pcp s LYS 48 CO 0.01 0.13 0.21 -0.35 0.00 0.00 0.00 175.35 175.36 1pcp n PRO 49 N 4.04 -0.80 -3.05 1.78 -0.04 -1.26 -4.92 135.00 130.75 1pcp n PRO 49 Ca -0.15 -0.33 -0.22 0.00 -0.04 0.00 0.00 63.50 62.75 1pcp n PRO 49 Cb 0.52 -0.26 -0.03 0.00 -0.04 0.00 0.00 33.50 33.68 1pcp n PRO 49 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1pcp n LEU 50 N 0.00 2.71 -4.81 1.53 4.32 -1.25 -5.08 117.00 114.41 1pcp n LEU 50 Ca 0.03 -5.33 -0.33 0.00 -0.02 0.00 0.00 56.01 50.36 1pcp n LEU 50 Cb 0.10 0.07 0.00 0.00 -1.62 0.00 0.00 43.42 41.97 1pcp n LEU 50 CO 0.07 2.31 0.71 -2.16 -1.22 0.00 0.00 177.39 177.11 1pcp s PRO 51 N -2.97 3.41 0.15 3.23 0.04 -1.26 -4.78 135.00 132.81 1pcp s PRO 51 Ca 0.44 1.17 -0.00 0.00 0.04 0.00 0.00 61.00 62.66 1pcp s PRO 51 Cb 0.32 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.81 1pcp s PRO 51 CO -0.11 -0.74 0.19 0.00 0.04 0.00 0.00 177.00 176.39 1pcp n ALA 52 N -1.96 -0.08 -0.90 8.56 0.00 -1.26 -5.12 120.51 119.75 1pcp n ALA 52 Ca 0.08 -0.69 -0.32 0.00 0.00 0.00 0.00 53.44 52.52 1pcp n ALA 52 Cb 0.53 0.56 0.03 0.00 0.00 0.00 0.00 19.45 20.57 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 -0.24 0.00 -0.32 0.00 6.02 -1.26 -4.46 117.38 117.12 1pcp n GLN 53 Ca 0.01 0.00 -0.09 0.00 -0.01 0.00 0.00 57.00 56.90 1pcp n GLN 53 Cb 0.25 -0.87 -0.01 0.00 1.02 0.00 0.00 30.24 30.63 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 2.02 0.89 -3.11 -1.09 4.71 -1.26 -4.37 120.64 118.43 1pcp n GLU 54 Ca -0.00 -0.89 -0.23 0.00 -0.01 0.00 0.00 57.16 56.03 1pcp n GLU 54 Cb 0.47 -2.17 -0.04 0.00 -1.01 0.00 0.00 31.44 28.69 1pcp n GLU 54 CO 0.00 0.00 0.00 0.43 0.09 0.00 0.00 177.13 177.65 1pcp n SER 55 N 4.57 2.65 -4.54 1.62 7.64 -1.26 -5.05 113.62 119.25 1pcp n SER 55 Ca 0.19 -3.32 -0.34 0.00 1.01 0.00 0.00 58.87 56.41 1pcp n SER 55 Cb 0.06 -0.60 -0.06 0.00 -1.01 0.00 0.00 64.21 62.60 1pcp n SER 55 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1pcp n GLU 56 N 0.24 0.77 0.00 1.43 2.13 -1.26 -3.33 120.64 120.62 1pcp n GLU 56 Ca 0.28 -0.09 0.00 0.00 0.66 0.00 0.00 57.16 58.01 1pcp n GLU 56 Cb 0.50 -3.06 0.00 0.00 0.27 0.00 0.00 31.44 29.15 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 8.81 0.00 0.00 5.31 0.28 -1.26 -5.09 120.64 128.69 1pcp n GLU 57 Ca 0.44 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.44 1pcp n GLU 57 Cb 0.43 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.30 1pcp n GLU 57 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1pcp n VAL 59 N 0.00 0.00 0.00 0.00 0.31 -1.26 -4.92 118.33 112.46 1pcp n VAL 59 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1pcp n VAL 59 Cb 0.00 -0.86 0.00 0.00 -0.91 0.00 0.00 33.84 32.07 1pcp n VAL 59 CO 0.00 0.00 0.00 1.15 -1.32 0.00 0.00 176.83 176.66 1pcp n MET 60 N 1.65 0.00 -0.82 5.55 0.00 -1.26 -4.94 117.12 117.30 1pcp n MET 60 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 57.70 57.41 1pcp n MET 60 Cb 0.00 0.00 0.20 0.00 0.00 0.00 0.00 33.22 33.42 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 0.11 0.38 3.17 -0.21 -1.26 -4.78 119.66 115.07 1pcp s GLN 61 Ca 0.00 0.91 0.07 0.00 0.02 0.00 0.00 55.36 56.36 1pcp s GLN 61 Cb 0.00 -1.67 0.79 0.00 1.00 0.00 0.00 33.01 33.13 1pcp s GLN 61 CO 0.00 -3.05 2.00 0.28 -2.12 0.00 0.00 175.29 172.39 1pcp h VAL 62 N -2.14 1.05 -0.30 1.09 2.07 -1.98 0.40 116.25 116.45 1pcp h VAL 62 Ca -0.55 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 66.74 1pcp h VAL 62 Cb 1.31 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 31.39 1pcp h VAL 62 CO 0.51 0.12 0.00 -1.20 0.02 0.00 0.00 177.57 177.02 1pcp n SER 63 N -4.47 2.68 -0.00 0.57 7.64 -1.26 -3.21 113.62 115.56 1pcp n SER 63 Ca 0.08 -2.27 0.02 0.00 1.01 0.00 0.00 58.87 57.71 1pcp n SER 63 Cb 0.17 -0.45 -0.03 0.00 -1.01 0.00 0.00 64.21 62.89 1pcp n SER 63 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1pcp n ALA 64 N 0.37 2.58 0.51 -0.43 0.00 0.14 -4.47 120.51 119.22 1pcp n ALA 64 Ca 0.12 -0.13 0.06 0.00 0.00 0.00 0.00 53.44 53.50 1pcp n ALA 64 Cb 0.54 -0.17 0.19 0.00 0.00 0.00 0.00 19.45 20.01 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 -1.13 2.23 0.00 0.00 1.74 -0.99 -4.80 116.66 113.71 1pcp n ARG 65 Ca 0.01 -1.56 0.00 0.00 -0.77 0.00 0.00 57.85 55.52 1pcp n ARG 65 Cb 0.07 -1.45 0.00 0.00 -1.02 0.00 0.00 32.46 30.06 1pcp n ARG 65 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1pcp n LYS 66 N 0.65 0.00 -2.69 5.56 5.02 -1.26 -4.13 118.16 121.31 1pcp n LYS 66 Ca 0.14 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.45 1pcp n LYS 66 Cb 0.44 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.46 1pcp n LYS 66 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1pcp s ASN 67 N -1.71 -0.11 0.00 4.39 4.22 -1.26 -4.65 114.94 115.82 1pcp s ASN 67 Ca 0.00 -0.05 0.00 0.00 -2.14 0.00 0.00 52.86 50.67 1pcp s ASN 67 Cb 0.00 0.14 0.00 0.00 1.28 0.00 0.00 41.25 42.67 1pcp s ASN 67 CO 0.00 -0.01 0.00 0.00 -2.04 0.00 0.00 177.10 175.05 1pcp n GLY 69 N 2.54 -2.22 3.59 0.00 0.00 -1.21 -4.95 105.19 102.95 1pcp n GLY 69 Ca 0.00 -0.67 -0.27 0.00 0.00 0.00 0.00 46.02 45.08 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 -2.05 2.45 -1.24 1.61 1.13 -1.26 -4.89 117.35 113.10 1pcp s TYR 70 Ca 0.28 -0.67 -0.20 0.00 -1.41 0.00 0.00 57.07 55.07 1pcp s TYR 70 Cb -0.05 -1.68 -0.01 0.00 -1.10 0.00 0.00 41.96 39.12 1pcp s TYR 70 CO 0.26 0.43 1.85 -0.35 -2.51 0.00 0.00 175.55 175.23 1pcp n PRO 71 N -0.92 2.39 0.00 -3.49 -0.04 -1.26 -2.49 135.00 129.20 1pcp n PRO 71 Ca -0.05 -2.84 0.00 0.00 -0.04 0.00 0.00 63.50 60.58 1pcp n PRO 71 Cb 0.66 -3.58 0.00 0.00 -0.04 0.00 0.00 33.50 30.55 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 5.50 0.26 3.66 0.55 0.00 -1.26 -5.15 105.19 108.75 1pcp n GLY 72 Ca 0.47 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.18 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 0.00 0.00 -3.89 -0.61 3.06 -1.04 -5.04 119.36 111.84 1pcp n ILE 73 Ca 0.00 -0.01 -0.19 0.00 -2.50 0.00 0.00 62.75 60.05 1pcp n ILE 73 Cb 0.00 -0.99 -0.01 0.00 0.54 0.00 0.00 39.64 39.19 1pcp n ILE 73 CO 0.00 0.00 0.00 -0.24 -2.50 0.00 0.00 176.55 173.81 1pcp n SER 74 N -4.17 2.33 0.01 9.51 2.88 -1.26 -4.93 113.62 117.99 1pcp n SER 74 Ca 0.12 -2.34 -0.01 0.00 -1.33 0.00 0.00 58.87 55.32 1pcp n SER 74 Cb 0.52 0.02 -0.00 0.00 -0.75 0.00 0.00 64.21 64.00 1pcp n SER 74 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1pcp h PRO 75 N 0.00 -0.04 0.00 -1.46 0.13 -1.96 0.25 132.00 128.92 1pcp h PRO 75 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 1pcp h PRO 75 Cb 0.87 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.01 1pcp h PRO 75 CO 0.39 -0.02 0.00 0.39 -0.23 0.00 0.00 178.00 178.53 1pcp n GLU 76 N -2.32 0.03 -0.09 0.86 1.02 -1.26 -2.04 120.64 116.84 1pcp n GLU 76 Ca -0.00 0.51 -0.14 0.00 -0.02 0.00 0.00 57.16 57.50 1pcp n GLU 76 Cb 0.01 -1.60 -0.07 0.00 -0.02 0.00 0.00 31.44 29.76 1pcp n GLU 76 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1pcp n ASP 77 N -1.68 1.85 -0.29 1.62 9.92 -1.24 -2.53 116.55 124.20 1pcp n ASP 77 Ca 0.00 0.51 -0.06 0.00 -0.53 0.00 0.00 54.79 54.70 1pcp n ASP 77 Cb 0.03 -0.91 -0.02 0.00 -0.64 0.00 0.00 41.12 39.58 1pcp n ASP 77 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1pcp h ALA 79 N 0.85 1.28 -0.42 0.00 0.00 -1.33 2.84 119.26 122.49 1pcp h ALA 79 Ca 0.23 -0.27 -0.14 0.00 0.00 0.00 0.00 54.91 54.73 1pcp h ALA 79 Cb 0.55 -0.12 -0.09 0.00 0.00 0.00 0.00 17.79 18.13 1pcp h ALA 79 CO -0.81 0.48 0.18 0.00 0.00 0.00 0.00 179.25 179.10 1pcp n ALA 80 N -2.48 3.70 0.00 0.00 0.00 0.40 -4.13 120.51 118.00 1pcp n ALA 80 Ca 0.00 -1.27 0.00 0.00 0.00 0.00 0.00 53.44 52.17 1pcp n ALA 80 Cb 0.32 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.62 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 -0.04 0.00 0.00 0.00 1.74 0.53 -4.87 116.66 114.02 1pcp n ARG 81 Ca 0.23 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.31 1pcp n ARG 81 Cb 0.94 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.38 1pcp n ARG 81 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 1pcp n ASN 82 N -2.51 0.00 0.00 0.55 0.23 0.94 -5.04 115.26 109.43 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 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.70 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 -3.51 -0.27 -0.45 0.00 2.19 -1.23 -2.33 117.98 112.39 1pcp s PHE 85 Ca 0.62 -0.26 0.02 0.00 0.33 0.00 0.00 56.93 57.65 1pcp s PHE 85 Cb -0.12 -0.54 0.14 0.00 -1.31 0.00 0.00 43.02 41.20 1pcp s PHE 85 CO 0.50 -0.85 0.27 0.45 1.83 0.00 0.00 175.22 177.42 1pcp s SER 86 N 2.30 3.33 0.00 6.13 0.15 0.38 -4.92 113.70 121.08 1pcp s SER 86 Ca 0.09 -2.75 0.25 0.00 0.70 0.00 0.00 55.95 54.24 1pcp s SER 86 Cb -0.15 -0.91 1.41 0.00 -1.71 0.00 0.00 66.02 64.66 1pcp s SER 86 CO -0.31 -0.24 1.86 -0.90 1.20 0.00 0.00 173.24 174.85 1pcp n ASP 87 N 3.36 0.00 -0.26 5.45 5.75 -1.26 -3.96 116.55 125.62 1pcp n ASP 87 Ca 0.13 -0.49 0.23 0.00 -0.01 0.00 0.00 54.79 54.66 1pcp n ASP 87 Cb 0.37 -0.12 0.40 0.00 -1.03 0.00 0.00 41.12 40.74 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 -1.12 -0.18 -3.91 2.12 5.66 -1.26 -2.85 114.28 112.73 1pcp n THR 88 Ca 0.16 1.14 -0.35 0.00 -3.05 0.00 0.00 64.05 61.96 1pcp n THR 88 Cb 0.13 -1.87 -0.14 0.00 -1.55 0.00 0.00 70.33 66.91 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 -4.70 2.91 0.22 1.09 1.09 -1.25 -5.09 121.20 115.47 1pcp s ILE 89 Ca -0.05 -1.57 -0.30 0.00 -1.10 0.00 0.00 60.65 57.63 1pcp s ILE 89 Cb 0.19 -2.76 -0.09 0.00 -1.06 0.00 0.00 42.46 38.75 1pcp s ILE 89 CO 0.50 -0.22 1.10 -2.16 -0.10 0.00 0.00 174.94 174.06 1pcp s PRO 90 N 1.20 4.62 0.00 2.79 0.04 -1.13 -3.68 135.00 138.84 1pcp s PRO 90 Ca -0.02 1.76 0.00 0.00 0.04 0.00 0.00 61.00 62.77 1pcp s PRO 90 Cb -0.20 -3.24 0.00 0.00 0.04 0.00 0.00 34.50 31.10 1pcp s PRO 90 CO -0.02 0.14 0.00 -0.85 0.04 0.00 0.00 177.00 176.31 1pcp n GLU 91 N 1.85 0.00 -3.96 4.56 0.28 -1.26 -5.08 120.64 117.03 1pcp n GLU 91 Ca 0.01 0.00 -0.12 0.00 -0.16 0.00 0.00 57.16 56.89 1pcp n GLU 91 Cb 0.45 -1.10 -0.01 0.00 1.43 0.00 0.00 31.44 32.21 1pcp n GLU 91 CO 0.00 0.00 0.00 0.14 -0.16 0.00 0.00 177.13 177.11 1pcp s VAL 92 N -2.05 0.00 -0.80 3.84 -7.23 -1.24 -5.09 120.40 107.82 1pcp s VAL 92 Ca 0.00 -1.31 -0.25 0.00 -1.81 0.00 0.00 61.98 58.60 1pcp s VAL 92 Cb 0.00 -2.71 0.00 0.00 0.56 0.00 0.00 36.38 34.24 1pcp s VAL 92 CO 0.00 0.00 1.62 -2.16 -0.31 0.00 0.00 175.10 174.25 1pcp s PRO 93 N -2.80 2.99 0.25 4.82 0.04 -1.26 -4.81 135.00 134.24 1pcp s PRO 93 Ca 0.23 -0.22 -0.04 0.00 0.04 0.00 0.00 61.00 61.01 1pcp s PRO 93 Cb -0.03 -4.69 0.30 0.00 0.04 0.00 0.00 34.50 30.12 1pcp s PRO 93 CO 0.16 -2.59 1.84 -1.49 0.04 0.00 0.00 177.00 174.96 1pcp h TRP 94 N 11.60 1.08 -3.42 0.56 6.55 -1.87 -3.40 115.95 127.05 1pcp h TRP 94 Ca -0.09 -0.05 -0.61 0.00 0.95 0.00 0.00 58.89 59.09 1pcp h TRP 94 Cb 1.06 -0.34 -0.13 0.00 -0.86 0.00 0.00 29.16 28.90 1pcp h TRP 94 CO 1.16 0.80 -0.46 0.00 -1.05 0.00 0.00 178.44 178.89 1pcp n PHE 96 N 3.92 0.00 -3.60 0.00 -1.74 -0.98 -2.16 117.46 112.90 1pcp n PHE 96 Ca -0.15 0.00 -0.40 0.00 -0.56 0.00 0.00 57.45 56.35 1pcp n PHE 96 Cb 0.52 0.00 -0.11 0.00 1.52 0.00 0.00 39.48 41.41 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 -1.28 3.21 -0.49 2.97 0.08 -1.26 -1.55 117.98 119.65 1pcp s PHE 97 Ca 0.00 -0.62 -0.28 0.00 0.12 0.00 0.00 56.93 56.14 1pcp s PHE 97 Cb 0.00 -2.42 0.01 0.00 -0.57 0.00 0.00 43.02 40.04 1pcp s PHE 97 CO 0.00 -0.51 1.46 -1.25 -0.10 0.00 0.00 175.22 174.82 1pcp s PRO 98 N 1.62 3.37 0.00 0.24 0.04 -1.26 -4.84 135.00 134.17 1pcp s PRO 98 Ca 0.04 0.71 0.00 0.00 0.04 0.00 0.00 61.00 61.79 1pcp s PRO 98 Cb -0.18 -4.10 0.00 0.00 0.04 0.00 0.00 34.50 30.26 1pcp s PRO 98 CO 0.07 -1.83 0.00 -1.33 0.04 0.00 0.00 177.00 173.96 1pcp n MET 99 N 8.44 -3.28 -1.84 4.56 2.81 -1.25 -5.03 117.12 121.53 1pcp n MET 99 Ca 0.15 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.04 1pcp n MET 99 Cb 0.49 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.00 1pcp n MET 99 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 1pcp n SER 100 N 2.69 -6.81 0.00 7.83 3.41 -1.26 -5.04 113.62 114.43 1pcp n SER 100 Ca 0.00 1.17 0.00 0.00 -0.26 0.00 0.00 58.87 59.78 1pcp n SER 100 Cb 0.00 -3.68 0.00 0.00 -0.26 0.00 0.00 64.21 60.27 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 1.17 0.00 -2.68 -3.33 0.24 -1.26 -5.07 118.33 107.40 1pcp n VAL 101 Ca 0.00 0.00 -0.25 0.00 -2.04 0.00 0.00 64.34 62.05 1pcp n VAL 101 Cb 0.00 0.00 0.03 0.00 -1.47 0.00 0.00 33.84 32.40 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 -1.24 0.00 7.34 2.13 -1.26 -4.59 120.64 123.02 1pcp n GLU 102 Ca 0.00 0.93 0.00 0.00 0.66 0.00 0.00 57.16 58.75 1pcp n GLU 102 Cb 0.00 -1.30 0.00 0.00 0.27 0.00 0.00 31.44 30.41 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 0.27 0.00 -4.77 4.31 5.75 -1.26 -5.13 116.55 115.72 1pcp n ASP 103 Ca -0.06 0.00 -0.39 0.00 -0.01 0.00 0.00 54.79 54.34 1pcp n ASP 103 Cb 0.46 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.51 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 0.59 0.00 -0.63 0.00 1.44 -1.26 -4.80 115.22 110.56 1pcp n HIS 105 Ca 0.02 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.73 1pcp n HIS 105 Cb 0.47 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.58 1pcp n HIS 105 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19