#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 -1.81 0.00 3.44 5.02 -1.09 -4.66 118.16 119.07 1pcp n LYS 2 Ca 0.00 1.49 0.00 0.00 -2.02 0.00 0.00 58.31 57.78 1pcp n LYS 2 Cb 0.00 -1.40 0.00 0.00 -0.02 0.00 0.00 35.03 33.61 1pcp n LYS 2 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1pcp n PRO 3 N 0.31 0.76 0.00 1.97 -0.04 -1.26 -4.89 135.00 131.85 1pcp n PRO 3 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1pcp n PRO 3 Cb 0.00 -1.17 0.00 0.00 -0.04 0.00 0.00 33.50 32.29 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 0.54 -0.25 0.27 0.55 0.00 -1.26 -4.73 120.51 115.62 1pcp n ALA 4 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.51 1pcp n ALA 4 Cb 0.35 -0.25 -0.10 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 -1.41 3.08 0.31 0.00 0.00 -1.26 -4.24 120.51 116.98 1pcp n ALA 5 Ca 0.00 -0.37 0.14 0.00 0.00 0.00 0.00 53.44 53.21 1pcp n ALA 5 Cb 0.00 -0.51 0.63 0.00 0.00 0.00 0.00 19.45 19.57 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 -2.49 1.87 0.16 0.00 1.85 -1.26 -4.34 116.66 112.44 1pcp n ARG 7 Ca 0.00 -3.18 0.00 0.00 -1.00 0.00 0.00 57.85 53.67 1pcp n ARG 7 Cb 0.18 -1.86 0.00 0.00 -1.05 0.00 0.00 32.46 29.73 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 -3.31 0.00 -2.35 0.00 3.41 0.15 -2.85 113.62 108.67 1pcp n SER 9 Ca 0.00 0.00 -0.15 0.00 -0.26 0.00 0.00 58.87 58.46 1pcp n SER 9 Cb 0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 63.84 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 0.00 1.94 0.00 4.33 3.00 -1.26 -4.54 116.66 120.13 1pcp n ARG 10 Ca 0.00 -1.05 0.00 0.00 -0.00 0.00 0.00 57.85 56.80 1pcp n ARG 10 Cb 0.00 -2.07 0.00 0.00 0.00 0.00 0.00 32.46 30.39 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 2.87 0.00 -3.74 -0.14 7.27 -1.13 -4.91 117.38 117.59 1pcp n GLN 11 Ca 0.42 0.00 -0.13 0.00 0.07 0.00 0.00 57.00 57.35 1pcp n GLN 11 Cb 0.63 -0.28 -0.09 0.00 2.41 0.00 0.00 30.24 32.90 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 -1.21 -0.29 0.00 1.69 -1.08 -1.26 -5.02 116.67 109.50 1pcp s ASP 12 Ca 0.00 0.37 0.00 0.00 -0.52 0.00 0.00 52.55 52.40 1pcp s ASP 12 Cb 0.00 0.50 0.00 0.00 -1.46 0.00 0.00 42.92 41.96 1pcp s ASP 12 CO 0.00 -0.34 0.94 -0.81 0.52 0.00 0.00 175.17 175.48 1pcp n PRO 13 N 1.86 0.75 0.00 4.34 -0.04 -1.26 -4.21 135.00 136.44 1pcp n PRO 13 Ca -0.18 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.28 1pcp n PRO 13 Cb 0.57 -1.13 0.00 0.00 -0.04 0.00 0.00 33.50 32.90 1pcp n PRO 13 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1pcp n LYS 14 N 0.88 0.00 -0.00 0.54 5.02 -1.26 -5.03 118.16 118.31 1pcp n LYS 14 Ca 0.00 0.00 0.10 0.00 -2.02 0.00 0.00 58.31 56.39 1pcp n LYS 14 Cb 0.37 0.00 -0.13 0.00 -0.02 0.00 0.00 35.03 35.26 1pcp n LYS 14 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1pcp n ASN 15 N 0.00 0.81 0.00 4.39 3.02 -1.26 -4.98 115.26 117.24 1pcp n ASN 15 Ca 0.00 -0.80 0.00 0.00 -0.03 0.00 0.00 54.58 53.75 1pcp n ASN 15 Cb 0.00 1.19 0.00 0.00 -0.61 0.00 0.00 39.78 40.36 1pcp n ASN 15 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1pcp n ARG 16 N -1.64 0.00 -0.64 3.52 1.74 -1.26 -4.65 116.66 113.73 1pcp n ARG 16 Ca 0.02 0.00 -0.24 0.00 -0.77 0.00 0.00 57.85 56.87 1pcp n ARG 16 Cb 0.37 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.79 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 0.00 0.43 -4.05 1.55 0.31 -1.26 -4.60 118.33 110.71 1pcp n VAL 17 Ca 0.00 -0.11 -0.23 0.00 -0.01 0.00 0.00 64.34 64.00 1pcp n VAL 17 Cb 0.00 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 32.89 1pcp n VAL 17 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 1pcp s ASN 18 N -0.21 5.84 -0.43 4.52 0.01 -1.26 -4.42 114.94 118.99 1pcp s ASN 18 Ca 0.34 -0.10 0.10 0.00 -0.71 0.00 0.00 52.86 52.50 1pcp s ASN 18 Cb -0.49 -1.59 0.38 0.00 0.41 0.00 0.00 41.25 39.96 1pcp s ASN 18 CO 0.25 -0.02 0.89 0.00 -1.51 0.00 0.00 177.10 176.70 1pcp n GLY 20 N -0.04 1.28 3.17 0.00 0.00 -1.26 -4.11 105.19 104.22 1pcp n GLY 20 Ca 0.26 -0.01 -0.10 0.00 0.00 0.00 0.00 46.02 46.16 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 0.49 0.90 -2.00 1.61 -0.71 -1.26 -5.02 117.98 112.00 1pcp s PHE 21 Ca 0.00 -1.14 0.22 0.00 -1.04 0.00 0.00 56.93 54.97 1pcp s PHE 21 Cb 0.00 -0.53 1.31 0.00 -1.21 0.00 0.00 43.02 42.60 1pcp s PHE 21 CO 0.00 -0.40 1.71 -0.35 -1.34 0.00 0.00 175.22 174.84 1pcp n PRO 22 N -0.10 0.75 -0.21 1.99 -0.04 -1.26 -2.22 135.00 133.91 1pcp n PRO 22 Ca -0.07 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.46 1pcp n PRO 22 Cb 0.63 -1.46 0.16 0.00 -0.04 0.00 0.00 33.50 32.79 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 0.48 3.90 3.78 0.55 0.00 -1.26 -5.03 105.19 107.61 1pcp n GLY 23 Ca 0.17 -0.78 -0.29 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.22 1.91 0.19 -0.61 2.07 -0.94 -5.03 121.20 116.57 1pcp s ILE 24 Ca 0.29 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.53 1pcp s ILE 24 Cb 0.23 -2.76 0.00 0.00 0.13 0.00 0.00 42.46 40.06 1pcp s ILE 24 CO 0.07 0.00 0.00 0.35 -1.91 0.00 0.00 174.94 173.45 1pcp n THR 25 N -3.98 0.47 0.00 4.00 -2.24 -1.26 -5.06 114.28 106.20 1pcp n THR 25 Ca 0.10 0.16 0.00 0.00 -2.27 0.00 0.00 64.05 62.04 1pcp n THR 25 Cb 0.59 -0.96 0.00 0.00 -2.10 0.00 0.00 70.33 67.87 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 -3.42 0.00 -0.37 3.42 3.41 -1.26 -4.94 113.62 110.46 1pcp n SER 26 Ca 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.51 1pcp n SER 26 Cb 0.02 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 63.88 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 -1.95 -0.18 4.04 5.19 -2.00 3.09 116.42 124.62 1pcp h ASP 27 Ca 0.00 0.30 0.05 0.00 -0.62 0.00 0.00 57.03 56.76 1pcp h ASP 27 Cb 0.00 0.86 -0.01 0.00 0.18 0.00 0.00 39.33 40.36 1pcp h ASP 27 CO 0.00 -0.21 0.22 1.56 -3.12 0.00 0.00 179.24 177.68 1pcp h GLN 28 N -0.02 0.00 -0.08 3.56 1.08 -1.97 1.68 115.11 119.36 1pcp h GLN 28 Ca 0.14 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.34 1pcp h GLN 28 Cb 0.38 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.81 1pcp h GLN 28 CO -0.84 0.00 0.00 0.00 -0.95 0.00 0.00 178.83 177.04 1pcp n PHE 30 N 0.69 0.37 0.00 0.00 3.72 0.55 -3.15 117.46 119.65 1pcp n PHE 30 Ca 0.17 -1.01 0.00 0.00 -0.05 0.00 0.00 57.45 56.56 1pcp n PHE 30 Cb 0.45 -0.18 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 0.09 0.00 -0.53 4.37 -1.04 0.99 -2.66 114.28 115.49 1pcp n THR 31 Ca 0.08 0.00 -0.16 0.00 -2.04 0.00 0.00 64.05 61.93 1pcp n THR 31 Cb 1.03 0.00 0.12 0.00 -1.82 0.00 0.00 70.33 69.66 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 0.00 3.52 0.00 8.00 2.88 -1.26 -4.24 113.62 122.52 1pcp n SER 32 Ca 0.00 -3.10 0.00 0.00 -1.33 0.00 0.00 58.87 54.44 1pcp n SER 32 Cb 0.00 -0.73 0.00 0.00 -0.75 0.00 0.00 64.21 62.73 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 -0.63 0.66 0.00 0.46 0.00 -1.21 -5.08 105.19 99.39 1pcp n GLY 33 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.43 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 -2.81 -0.37 -0.65 0.00 5.36 -1.19 -2.36 117.98 115.97 1pcp s PHE 36 Ca 0.52 -1.36 -0.16 0.00 -0.96 0.00 0.00 56.93 54.97 1pcp s PHE 36 Cb -0.10 -0.25 0.15 0.00 -0.34 0.00 0.00 43.02 42.47 1pcp s PHE 36 CO 0.42 -1.07 0.66 0.34 -1.46 0.00 0.00 175.22 174.10 1pcp s ASP 37 N 0.53 6.36 -0.42 6.13 2.15 0.89 -4.89 116.67 127.42 1pcp s ASP 37 Ca 0.31 -1.94 -0.01 0.00 0.43 0.00 0.00 52.55 51.34 1pcp s ASP 37 Cb 0.01 -2.24 0.32 0.00 -0.30 0.00 0.00 42.92 40.71 1pcp s ASP 37 CO -0.12 -0.86 1.97 -1.20 -0.17 0.00 0.00 175.17 174.79 1pcp n SER 38 N 5.28 6.45 0.12 -0.34 7.64 -1.26 -4.03 113.62 127.48 1pcp n SER 38 Ca -0.04 -3.29 0.13 0.00 1.01 0.00 0.00 58.87 56.68 1pcp n SER 38 Cb 0.43 -0.99 0.42 0.00 -1.01 0.00 0.00 64.21 63.06 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 1.53 0.00 -3.66 1.43 4.20 -1.90 -3.41 115.11 113.30 1pcp h GLN 39 Ca 0.41 0.00 -0.53 0.00 0.06 0.00 0.00 58.65 58.59 1pcp h GLN 39 Cb 1.06 0.00 -0.40 0.00 0.30 0.00 0.00 27.48 28.45 1pcp h GLN 39 CO 1.02 0.00 -0.77 0.08 -0.67 0.00 0.00 178.83 178.49 1pcp s VAL 40 N -3.16 0.66 -2.00 -0.54 1.01 -1.26 -4.98 120.40 110.13 1pcp s VAL 40 Ca 0.09 -0.63 0.12 0.00 0.00 0.00 0.00 61.98 61.56 1pcp s VAL 40 Cb 0.11 -1.13 0.34 0.00 0.00 0.00 0.00 36.38 35.71 1pcp s VAL 40 CO 0.56 -0.18 1.28 -0.81 0.00 0.00 0.00 175.10 175.94 1pcp n PRO 41 N 5.00 0.75 -0.07 2.72 -0.04 -1.26 -2.03 135.00 140.07 1pcp n PRO 41 Ca -0.09 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.42 1pcp n PRO 41 Cb 0.47 -1.25 0.08 0.00 -0.04 0.00 0.00 33.50 32.76 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 0.38 0.88 3.27 0.55 0.00 -1.26 -5.01 105.19 104.00 1pcp n GLY 42 Ca 0.09 -0.31 -0.15 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.90 0.26 -0.12 1.61 -7.23 -0.86 -5.12 120.40 108.03 1pcp s VAL 43 Ca 0.16 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 58.03 1pcp s VAL 43 Cb 0.09 -2.55 -0.02 0.00 0.56 0.00 0.00 36.38 34.46 1pcp s VAL 43 CO 0.13 0.00 1.25 -2.16 -0.31 0.00 0.00 175.10 174.01 1pcp s PRO 44 N -4.01 4.28 -0.02 4.82 0.04 -1.26 -4.85 135.00 134.00 1pcp s PRO 44 Ca 0.38 1.69 -0.16 0.00 0.04 0.00 0.00 61.00 62.95 1pcp s PRO 44 Cb 0.07 -3.68 -0.33 0.00 0.04 0.00 0.00 34.50 30.60 1pcp s PRO 44 CO 0.15 -0.61 0.84 -1.49 0.04 0.00 0.00 177.00 175.93 1pcp h TRP 45 N 7.93 0.77 -3.50 0.56 6.55 -1.85 -3.43 115.95 122.99 1pcp h TRP 45 Ca -0.30 -0.56 -0.61 0.00 0.95 0.00 0.00 58.89 58.37 1pcp h TRP 45 Cb 1.13 -0.03 -0.11 0.00 -0.86 0.00 0.00 29.16 29.29 1pcp h TRP 45 CO 0.77 1.54 0.56 0.00 -1.05 0.00 0.00 178.44 180.27 1pcp n PHE 47 N 7.24 -0.65 -3.17 0.00 1.16 -0.99 -1.30 117.46 119.74 1pcp n PHE 47 Ca 0.04 -0.40 -0.30 0.00 -1.87 0.00 0.00 57.45 54.93 1pcp n PHE 47 Cb 0.48 0.10 -0.04 0.00 -1.61 0.00 0.00 39.48 38.41 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 -2.13 3.74 0.00 3.97 3.01 -1.26 -1.49 119.74 125.58 1pcp s LYS 48 Ca 0.05 0.25 0.00 0.00 -1.01 0.00 0.00 55.97 55.26 1pcp s LYS 48 Cb -0.00 -2.54 0.00 0.00 -1.01 0.00 0.00 37.83 34.27 1pcp s LYS 48 CO 0.03 0.14 0.00 -0.35 0.51 0.00 0.00 175.35 175.69 1pcp n PRO 49 N -0.88 0.30 -2.86 -1.68 -0.04 -1.26 -4.82 135.00 123.76 1pcp n PRO 49 Ca 0.00 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.27 1pcp n PRO 49 Cb 0.54 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.99 1pcp n PRO 49 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 1pcp n LEU 50 N 0.00 2.50 0.00 1.53 -0.00 -1.25 -5.03 117.00 114.75 1pcp n LEU 50 Ca 0.00 -4.84 -0.21 0.00 -0.00 0.00 0.00 56.01 50.96 1pcp n LEU 50 Cb 0.00 0.15 0.16 0.00 -0.00 0.00 0.00 43.42 43.73 1pcp n LEU 50 CO 0.00 2.10 0.53 -0.81 -0.00 0.00 0.00 177.39 179.21 1pcp n PRO 51 N -0.07 -1.71 -2.74 1.47 -0.04 -1.26 -4.64 135.00 126.01 1pcp n PRO 51 Ca 0.24 -1.36 0.00 0.00 -0.04 0.00 0.00 63.50 62.35 1pcp n PRO 51 Cb 0.65 -1.07 0.01 0.00 -0.04 0.00 0.00 33.50 33.05 1pcp n PRO 51 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1pcp s ALA 52 N -3.51 -4.45 0.00 0.55 0.00 -1.26 -4.93 121.76 108.17 1pcp s ALA 52 Ca 0.52 1.09 0.00 0.00 0.00 0.00 0.00 51.96 53.57 1pcp s ALA 52 Cb -0.03 -3.01 0.00 0.00 0.00 0.00 0.00 23.12 20.08 1pcp s ALA 52 CO 0.38 -2.50 0.00 1.04 0.00 0.00 0.00 175.76 174.68 1pcp n GLN 53 N 3.39 -0.62 0.00 0.00 1.13 -1.26 -4.62 117.38 115.40 1pcp n GLN 53 Ca 0.07 0.00 0.02 0.00 -1.94 0.00 0.00 57.00 55.15 1pcp n GLN 53 Cb 0.64 0.00 0.12 0.00 0.11 0.00 0.00 30.24 31.11 1pcp n GLN 53 CO 0.00 0.00 0.00 -1.91 -1.44 0.00 0.00 177.06 173.71 1pcp n GLU 54 N -1.46 0.93 -4.05 -1.09 2.13 -1.26 -4.78 120.64 111.06 1pcp n GLU 54 Ca 0.00 0.00 -0.10 0.00 0.66 0.00 0.00 57.16 57.72 1pcp n GLU 54 Cb 0.00 -1.07 -0.08 0.00 0.27 0.00 0.00 31.44 30.56 1pcp n GLU 54 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 1pcp s SER 55 N -1.20 0.12 -0.38 4.31 0.01 -1.26 -5.13 113.70 110.17 1pcp s SER 55 Ca 0.06 -1.04 -0.04 0.00 1.31 0.00 0.00 55.95 56.24 1pcp s SER 55 Cb 0.03 0.40 0.08 0.00 0.21 0.00 0.00 66.02 66.75 1pcp s SER 55 CO 0.05 -0.86 0.16 -1.61 0.41 0.00 0.00 173.24 171.38 1pcp s GLU 56 N -4.02 2.28 0.00 12.44 2.02 -1.26 -4.57 118.70 125.60 1pcp s GLU 56 Ca 0.23 -1.56 0.00 0.00 0.02 0.00 0.00 54.97 53.66 1pcp s GLU 56 Cb 0.05 -3.52 0.00 0.00 0.10 0.00 0.00 34.13 30.75 1pcp s GLU 56 CO 0.03 -0.91 0.00 -0.85 0.02 0.00 0.00 175.26 173.55 1pcp n GLU 57 N 4.69 0.00 -0.02 1.61 0.28 -1.26 -4.93 120.64 121.02 1pcp n GLU 57 Ca -0.07 0.00 0.10 0.00 -0.16 0.00 0.00 57.16 57.02 1pcp n GLU 57 Cb 0.42 0.00 0.52 0.00 1.43 0.00 0.00 31.44 33.81 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 -1.95 3.83 -0.08 0.00 1.01 -1.26 -4.84 120.40 117.10 1pcp s VAL 59 Ca 0.29 1.20 -0.30 0.00 0.00 0.00 0.00 61.98 63.17 1pcp s VAL 59 Cb 0.14 -3.77 0.09 0.00 0.00 0.00 0.00 36.38 32.84 1pcp s VAL 59 CO 0.23 0.00 0.81 -0.04 0.00 0.00 0.00 175.10 176.10 1pcp s MET 60 N 2.30 0.88 0.92 2.72 -1.94 -1.26 -4.87 119.30 118.05 1pcp s MET 60 Ca 0.62 0.15 -0.12 0.00 -1.71 0.00 0.00 55.69 54.63 1pcp s MET 60 Cb -0.30 0.41 0.14 0.00 2.01 0.00 0.00 34.83 37.10 1pcp s MET 60 CO 0.26 -0.29 1.10 -0.65 -0.01 0.00 0.00 175.02 175.43 1pcp s GLN 61 N -1.40 1.05 0.63 2.03 -0.21 -1.26 -4.79 119.66 115.71 1pcp s GLN 61 Ca -0.06 0.60 0.42 0.00 0.02 0.00 0.00 55.36 56.33 1pcp s GLN 61 Cb -0.00 -1.80 2.16 0.00 1.00 0.00 0.00 33.01 34.36 1pcp s GLN 61 CO 0.05 -2.33 2.27 -0.39 -2.12 0.00 0.00 175.29 172.77 1pcp h VAL 62 N -1.60 0.00 0.00 1.09 -1.51 -1.97 0.22 116.25 112.48 1pcp h VAL 62 Ca -0.51 -0.13 0.00 0.00 -1.23 0.00 0.00 66.70 64.83 1pcp h VAL 62 Cb 1.31 1.12 0.00 0.00 -2.13 0.00 0.00 31.29 31.58 1pcp h VAL 62 CO 0.58 0.00 -1.01 -0.24 -1.23 0.00 0.00 177.57 175.66 1pcp n SER 63 N -3.07 0.62 -0.01 4.19 2.88 -1.26 -4.21 113.62 112.75 1pcp n SER 63 Ca -0.02 -0.14 -0.11 0.00 -1.33 0.00 0.00 58.87 57.26 1pcp n SER 63 Cb 0.13 0.74 -0.09 0.00 -0.75 0.00 0.00 64.21 64.24 1pcp n SER 63 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1pcp h ALA 64 N 2.50 -0.08 -1.42 -1.46 0.00 -0.90 -3.46 119.26 114.43 1pcp h ALA 64 Ca 0.00 -0.30 -0.51 0.00 0.00 0.00 0.00 54.91 54.10 1pcp h ALA 64 Cb 0.75 0.03 0.25 0.00 0.00 0.00 0.00 17.79 18.82 1pcp h ALA 64 CO 0.00 -0.16 -2.35 2.89 0.00 0.00 0.00 179.25 179.64 1pcp n ARG 65 N -4.79 -0.03 -2.72 0.00 -4.01 -0.94 -4.95 116.66 99.22 1pcp n ARG 65 Ca -0.08 -0.01 -0.04 0.00 -1.04 0.00 0.00 57.85 56.69 1pcp n ARG 65 Cb 0.31 -1.02 0.09 0.00 -3.04 0.00 0.00 32.46 28.79 1pcp n ARG 65 CO 0.00 0.00 0.00 1.17 -3.04 0.00 0.00 177.63 175.76 1pcp n LYS 66 N 2.37 1.39 -3.00 2.89 4.81 -1.26 -5.01 118.16 120.34 1pcp n LYS 66 Ca -0.02 -2.35 -0.00 0.00 -0.87 0.00 0.00 58.31 55.07 1pcp n LYS 66 Cb 0.68 -0.54 -0.00 0.00 0.02 0.00 0.00 35.03 35.19 1pcp n LYS 66 CO 0.00 0.00 0.00 0.27 1.17 0.00 0.00 177.40 178.84 1pcp n ASN 67 N -0.82 -7.02 -3.06 3.14 0.23 -1.26 -4.80 115.26 101.67 1pcp n ASN 67 Ca -0.03 0.98 -0.24 0.00 -0.53 0.00 0.00 54.58 54.76 1pcp n ASN 67 Cb 0.84 -1.67 -0.04 0.00 -2.08 0.00 0.00 39.78 36.84 1pcp n ASN 67 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1pcp n GLY 69 N 0.04 -0.79 3.48 0.00 0.00 -1.21 -4.08 105.19 102.64 1pcp n GLY 69 Ca 0.29 -1.23 -0.24 0.00 0.00 0.00 0.00 46.02 44.83 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 -2.96 2.34 -1.22 1.61 1.13 -1.26 -5.02 117.35 111.97 1pcp s TYR 70 Ca 0.00 -0.32 -0.08 0.00 -1.41 0.00 0.00 57.07 55.26 1pcp s TYR 70 Cb 0.00 -1.04 -0.07 0.00 -1.10 0.00 0.00 41.96 39.75 1pcp s TYR 70 CO 0.00 0.67 2.47 -0.35 -2.51 0.00 0.00 175.55 175.83 1pcp n PRO 71 N -0.51 2.77 0.00 -3.49 -0.04 -1.26 -2.60 135.00 129.87 1pcp n PRO 71 Ca -0.06 -1.78 0.00 0.00 -0.04 0.00 0.00 63.50 61.62 1pcp n PRO 71 Cb 0.59 -2.61 0.00 0.00 -0.04 0.00 0.00 33.50 31.44 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 3.70 0.10 3.00 0.55 0.00 -1.26 -5.14 105.19 106.14 1pcp n GLY 72 Ca 0.59 -0.06 -0.36 0.00 0.00 0.00 0.00 46.02 46.19 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 -0.72 0.00 -3.71 -0.61 3.06 -1.07 -4.98 119.36 111.33 1pcp n ILE 73 Ca 0.00 -0.50 -0.25 0.00 -2.50 0.00 0.00 62.75 59.50 1pcp n ILE 73 Cb 0.00 -0.00 0.01 0.00 0.54 0.00 0.00 39.64 40.19 1pcp n ILE 73 CO 0.00 0.00 0.00 -0.94 -2.50 0.00 0.00 176.55 173.11 1pcp s SER 74 N -1.00 4.71 -0.07 9.51 1.04 -1.26 -4.92 113.70 121.71 1pcp s SER 74 Ca 0.40 -1.19 -0.17 0.00 0.48 0.00 0.00 55.95 55.47 1pcp s SER 74 Cb -0.18 0.46 -0.13 0.00 0.10 0.00 0.00 66.02 66.27 1pcp s SER 74 CO 0.83 -1.19 0.65 1.55 0.98 0.00 0.00 173.24 176.06 1pcp h PRO 75 N 0.59 -0.19 0.00 4.02 0.13 -1.98 0.40 132.00 134.97 1pcp h PRO 75 Ca -0.35 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 1pcp h PRO 75 Cb 1.30 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.48 1pcp h PRO 75 CO 0.53 0.18 0.00 0.93 -0.23 0.00 0.00 178.00 179.41 1pcp h GLU 76 N -0.95 0.00 0.08 0.86 5.08 -1.99 -2.62 114.58 115.03 1pcp h GLU 76 Ca -0.02 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.08 1pcp h GLU 76 Cb 0.47 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 1pcp h GLU 76 CO 0.03 0.00 -1.39 -0.44 -1.00 0.00 0.00 179.01 176.22 1pcp h ASP 77 N 0.00 0.25 0.12 1.42 5.19 -1.92 -2.58 116.42 118.90 1pcp h ASP 77 Ca 0.00 -0.77 0.01 0.00 -0.62 0.00 0.00 57.03 55.64 1pcp h ASP 77 Cb 0.46 -0.08 -0.04 0.00 0.18 0.00 0.00 39.33 39.85 1pcp h ASP 77 CO 0.00 1.59 -0.43 0.00 -3.12 0.00 0.00 179.24 177.28 1pcp h ALA 79 N -0.76 1.17 -0.00 0.00 0.00 -1.54 1.63 119.26 119.76 1pcp h ALA 79 Ca -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1pcp h ALA 79 Cb 0.62 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1pcp h ALA 79 CO -0.22 0.41 0.00 0.00 0.00 0.00 0.00 179.25 179.44 1pcp n ALA 80 N -2.35 2.53 -0.00 0.00 0.00 -0.52 -3.63 120.51 116.54 1pcp n ALA 80 Ca 0.11 -0.04 -0.02 0.00 0.00 0.00 0.00 53.44 53.49 1pcp n ALA 80 Cb 0.10 -1.07 -0.01 0.00 0.00 0.00 0.00 19.45 18.47 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 -0.56 0.05 0.00 0.00 5.12 0.89 -4.93 116.66 117.24 1pcp n ARG 81 Ca 0.04 0.02 0.00 0.00 -1.93 0.00 0.00 57.85 55.98 1pcp n ARG 81 Cb 0.02 -0.59 0.00 0.00 -1.16 0.00 0.00 32.46 30.73 1pcp n ARG 81 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1pcp n ASN 82 N -3.18 0.00 0.00 0.55 3.02 0.51 -5.04 115.26 111.11 1pcp n ASN 82 Ca -0.04 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.51 1pcp n ASN 82 Cb 0.46 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.63 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 -2.98 0.25 -0.35 0.00 2.19 -1.23 -1.95 117.98 113.91 1pcp s PHE 85 Ca 0.62 -0.67 -0.00 0.00 0.33 0.00 0.00 56.93 57.21 1pcp s PHE 85 Cb -0.17 -0.81 0.12 0.00 -1.31 0.00 0.00 43.02 40.84 1pcp s PHE 85 CO 0.56 -0.73 0.16 0.45 1.83 0.00 0.00 175.22 177.49 1pcp s SER 86 N 2.12 3.64 0.00 6.13 0.15 0.12 -4.69 113.70 121.18 1pcp s SER 86 Ca 0.07 -1.96 0.30 0.00 0.70 0.00 0.00 55.95 55.06 1pcp s SER 86 Cb -0.16 -0.74 1.59 0.00 -1.71 0.00 0.00 66.02 65.00 1pcp s SER 86 CO -0.28 -0.36 2.07 -0.90 1.20 0.00 0.00 173.24 174.97 1pcp n ASP 87 N 4.40 0.00 -0.21 5.45 5.75 -1.26 -4.07 116.55 126.61 1pcp n ASP 87 Ca 0.03 -0.37 0.19 0.00 -0.01 0.00 0.00 54.79 54.63 1pcp n ASP 87 Cb 0.39 -0.20 0.34 0.00 -1.03 0.00 0.00 41.12 40.61 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 -1.20 -0.18 -3.83 2.12 5.66 -1.26 -2.74 114.28 112.84 1pcp n THR 88 Ca 0.17 1.03 -0.36 0.00 -3.05 0.00 0.00 64.05 61.84 1pcp n THR 88 Cb 0.20 -1.68 -0.13 0.00 -1.55 0.00 0.00 70.33 67.17 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 -4.66 3.26 0.27 1.09 1.09 -1.26 -5.09 121.20 115.91 1pcp s ILE 89 Ca -0.04 -1.53 -0.30 0.00 -1.10 0.00 0.00 60.65 57.68 1pcp s ILE 89 Cb 0.17 -2.98 -0.09 0.00 -1.06 0.00 0.00 42.46 38.50 1pcp s ILE 89 CO 0.43 -0.30 1.08 -2.16 -0.10 0.00 0.00 174.94 173.89 1pcp s PRO 90 N 1.25 4.67 0.00 2.79 0.04 -1.11 -3.70 135.00 138.94 1pcp s PRO 90 Ca -0.00 1.76 0.00 0.00 0.04 0.00 0.00 61.00 62.80 1pcp s PRO 90 Cb -0.21 -3.20 0.00 0.00 0.04 0.00 0.00 34.50 31.13 1pcp s PRO 90 CO -0.01 0.25 0.00 0.39 0.04 0.00 0.00 177.00 177.66 1pcp n GLU 91 N 1.27 0.00 -3.97 4.56 1.02 -1.26 -5.08 120.64 117.19 1pcp n GLU 91 Ca -0.01 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.02 1pcp n GLU 91 Cb 0.45 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.34 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 -2.10 0.00 -0.79 2.62 -7.23 -1.24 -5.09 120.40 106.57 1pcp s VAL 92 Ca 0.00 -1.33 -0.26 0.00 -1.81 0.00 0.00 61.98 58.58 1pcp s VAL 92 Cb 0.00 -2.53 0.00 0.00 0.56 0.00 0.00 36.38 34.42 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 -3.20 2.98 0.35 4.82 0.04 -1.26 -4.80 135.00 133.92 1pcp s PRO 93 Ca 0.23 -0.18 0.04 0.00 0.04 0.00 0.00 61.00 61.13 1pcp s PRO 93 Cb -0.02 -4.65 0.64 0.00 0.04 0.00 0.00 34.50 30.50 1pcp s PRO 93 CO 0.14 -2.58 1.92 -1.49 0.04 0.00 0.00 177.00 175.03 1pcp h TRP 94 N 11.70 0.59 -3.02 0.56 6.55 -1.88 -3.35 115.95 127.11 1pcp h TRP 94 Ca -0.10 -0.04 -0.71 0.00 0.95 0.00 0.00 58.89 58.99 1pcp h TRP 94 Cb 1.07 -0.18 -0.20 0.00 -0.86 0.00 0.00 29.16 28.98 1pcp h TRP 94 CO 1.15 0.51 0.04 0.00 -1.05 0.00 0.00 178.44 179.09 1pcp n PHE 96 N 6.12 -0.55 -4.06 0.00 -1.74 -0.82 0.32 117.46 116.73 1pcp n PHE 96 Ca -0.10 -0.19 -0.34 0.00 -0.56 0.00 0.00 57.45 56.26 1pcp n PHE 96 Cb 0.43 -0.03 -0.10 0.00 1.52 0.00 0.00 39.48 41.30 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 -0.75 3.24 0.63 2.97 0.40 -1.26 -1.26 117.98 121.95 1pcp s PHE 97 Ca 0.01 0.06 -0.14 0.00 -0.60 0.00 0.00 56.93 56.27 1pcp s PHE 97 Cb -0.00 -2.04 -0.02 0.00 0.51 0.00 0.00 43.02 41.46 1pcp s PHE 97 CO 0.01 0.18 1.05 -1.25 0.70 0.00 0.00 175.22 175.91 1pcp s PRO 98 N 0.23 3.21 0.00 0.24 0.04 -1.26 -4.91 135.00 132.55 1pcp s PRO 98 Ca 0.03 1.08 0.00 0.00 0.04 0.00 0.00 61.00 62.15 1pcp s PRO 98 Cb -0.12 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.39 1pcp s PRO 98 CO 0.01 -0.89 0.00 -1.33 0.04 0.00 0.00 177.00 174.83 1pcp n MET 99 N -2.46 -1.65 -2.89 4.56 2.81 -1.26 -5.10 117.12 111.14 1pcp n MET 99 Ca 0.08 0.00 -0.20 0.00 -1.81 0.00 0.00 57.70 55.77 1pcp n MET 99 Cb 0.53 0.00 0.05 0.00 -0.71 0.00 0.00 33.22 33.09 1pcp n MET 99 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1pcp s SER 100 N -4.00 5.18 0.00 7.83 0.15 -1.26 -4.88 113.70 116.72 1pcp s SER 100 Ca 0.00 -0.49 0.00 0.00 0.70 0.00 0.00 55.95 56.16 1pcp s SER 100 Cb 0.00 -0.25 0.00 0.00 -1.71 0.00 0.00 66.02 64.06 1pcp s SER 100 CO 0.00 -1.21 0.00 1.33 1.20 0.00 0.00 173.24 174.56 1pcp n VAL 101 N -2.23 0.00 -0.47 4.45 0.24 -1.26 -5.04 118.33 114.02 1pcp n VAL 101 Ca 0.12 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.42 1pcp n VAL 101 Cb 0.60 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.97 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 -0.00 7.34 2.13 -1.26 -4.93 120.64 123.92 1pcp n GLU 102 Ca 0.00 0.22 0.01 0.00 0.66 0.00 0.00 57.16 58.05 1pcp n GLU 102 Cb 0.00 -1.79 -0.02 0.00 0.27 0.00 0.00 31.44 29.90 1pcp n GLU 102 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 1pcp n ASP 103 N 0.90 1.71 -4.77 4.31 -0.08 -1.26 -4.99 116.55 112.36 1pcp n ASP 103 Ca 0.00 -0.35 -0.39 0.00 -1.51 0.00 0.00 54.79 52.54 1pcp n ASP 103 Cb 0.01 1.05 -0.06 0.00 2.34 0.00 0.00 41.12 44.46 1pcp n ASP 103 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1pcp s HIS 105 N -0.36 1.79 0.00 0.00 -3.43 -1.26 -4.68 115.29 107.35 1pcp s HIS 105 Ca 0.33 -0.22 0.00 0.00 -0.80 0.00 0.00 55.06 54.37 1pcp s HIS 105 Cb -0.19 -2.97 0.00 0.00 -1.43 0.00 0.00 32.58 27.99 1pcp s HIS 105 CO 0.19 -1.60 0.36 0.66 -2.00 0.00 0.00 174.74 172.36