#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pcp s LYS 2 N 0.00 3.47 -0.04 3.49 1.02 -1.25 -4.54 119.74 121.88 1pcp s LYS 2 Ca 0.00 -0.55 -0.07 0.00 0.02 0.00 0.00 55.97 55.37 1pcp s LYS 2 Cb 0.00 -2.85 -0.04 0.00 -0.52 0.00 0.00 37.83 34.42 1pcp s LYS 2 CO 0.00 0.39 0.35 -1.00 -0.92 0.00 0.00 175.35 174.17 1pcp h PRO 3 N 1.49 -0.24 0.00 -1.68 0.13 -1.90 -3.51 132.00 126.30 1pcp h PRO 3 Ca -0.50 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1pcp h PRO 3 Cb 1.21 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1pcp h PRO 3 CO 0.64 -0.16 0.00 0.00 -0.23 0.00 0.00 178.00 178.26 1pcp n ALA 4 N -2.54 0.00 0.00 -0.56 0.00 -1.26 -5.05 120.51 111.10 1pcp n ALA 4 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1pcp n ALA 4 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.55 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 1.12 1.15 0.00 0.00 -1.26 -4.64 120.51 113.88 1pcp n ALA 5 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.55 1pcp n ALA 5 Cb 0.00 0.05 0.58 0.00 0.00 0.00 0.00 19.45 20.08 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 -1.16 1.01 0.00 0.00 1.74 -1.26 -3.89 116.66 113.10 1pcp n ARG 7 Ca 0.13 -2.36 0.00 0.00 -0.77 0.00 0.00 57.85 54.84 1pcp n ARG 7 Cb 0.13 -1.24 0.00 0.00 -1.02 0.00 0.00 32.46 30.33 1pcp n ARG 7 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1pcp h SER 9 N 0.00 0.00 -0.22 0.00 4.64 0.18 -3.37 113.55 114.78 1pcp h SER 9 Ca 0.00 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 1pcp h SER 9 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1pcp h SER 9 CO 0.00 0.84 0.00 -1.14 -0.87 0.00 0.00 176.83 175.66 1pcp n ARG 10 N -4.60 1.95 0.00 4.77 3.00 -0.83 -4.87 116.66 116.07 1pcp n ARG 10 Ca -0.10 -0.97 0.00 0.00 -0.00 0.00 0.00 57.85 56.78 1pcp n ARG 10 Cb 0.31 -1.48 0.00 0.00 0.00 0.00 0.00 32.46 31.28 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 0.21 1.07 -2.95 -0.14 10.64 -1.25 -4.76 117.38 120.20 1pcp n GLN 11 Ca 0.09 0.00 -0.35 0.00 -1.83 0.00 0.00 57.00 54.90 1pcp n GLN 11 Cb 0.39 0.00 -0.06 0.00 -0.86 0.00 0.00 30.24 29.71 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 -1.96 7.10 -1.22 2.61 -1.08 -1.26 -4.93 116.67 115.93 1pcp s ASP 12 Ca 0.00 1.58 -0.21 0.00 -0.52 0.00 0.00 52.55 53.41 1pcp s ASP 12 Cb 0.00 -2.49 -0.01 0.00 -1.46 0.00 0.00 42.92 38.97 1pcp s ASP 12 CO 0.00 -0.09 1.82 -2.16 0.52 0.00 0.00 175.17 175.26 1pcp s PRO 13 N -2.32 3.25 0.00 4.34 0.04 -1.26 -4.30 135.00 134.75 1pcp s PRO 13 Ca 0.50 -1.52 0.00 0.00 0.04 0.00 0.00 61.00 60.02 1pcp s PRO 13 Cb -0.15 -5.38 0.00 0.00 0.04 0.00 0.00 34.50 29.01 1pcp s PRO 13 CO 0.20 -3.07 0.00 1.17 0.04 0.00 0.00 177.00 175.34 1pcp n LYS 14 N 8.39 0.00 0.00 4.56 0.00 -1.26 -5.05 118.16 124.80 1pcp n LYS 14 Ca 0.46 0.05 0.00 0.00 0.00 0.00 0.00 58.31 58.82 1pcp n LYS 14 Cb 0.47 -0.09 0.00 0.00 0.00 0.00 0.00 35.03 35.40 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 0.00 0.51 0.00 3.14 5.03 -1.26 -5.12 115.26 117.56 1pcp n ASN 15 Ca 0.00 -1.15 0.00 0.00 0.87 0.00 0.00 54.58 54.30 1pcp n ASN 15 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.76 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 -0.07 0.00 -1.35 3.52 3.00 -1.26 -4.99 116.66 115.51 1pcp n ARG 16 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 1pcp n ARG 16 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.72 1pcp n ARG 16 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 1pcp n VAL 17 N 0.00 -4.48 -4.79 1.55 0.31 -1.26 -4.85 118.33 104.81 1pcp n VAL 17 Ca 0.00 1.94 -0.26 0.00 -0.01 0.00 0.00 64.34 66.01 1pcp n VAL 17 Cb 0.00 -2.76 -0.16 0.00 -0.91 0.00 0.00 33.84 30.00 1pcp n VAL 17 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 1pcp s ASN 18 N -2.06 2.12 -0.51 4.52 3.84 -1.26 -4.45 114.94 117.15 1pcp s ASN 18 Ca 0.00 -0.36 0.08 0.00 0.21 0.00 0.00 52.86 52.79 1pcp s ASN 18 Cb 0.00 -0.79 0.29 0.00 -0.55 0.00 0.00 41.25 40.20 1pcp s ASN 18 CO 0.00 0.11 0.74 0.00 -2.79 0.00 0.00 177.10 175.15 1pcp n GLY 20 N 0.61 1.20 3.58 0.00 0.00 -1.26 -4.30 105.19 105.01 1pcp n GLY 20 Ca 0.27 0.19 -0.07 0.00 0.00 0.00 0.00 46.02 46.41 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 1.43 -0.28 -0.49 1.61 -0.12 -1.26 -5.09 117.98 113.77 1pcp s PHE 21 Ca 0.00 0.10 -0.28 0.00 -0.05 0.00 0.00 56.93 56.70 1pcp s PHE 21 Cb 0.00 0.57 0.01 0.00 -0.63 0.00 0.00 43.02 42.97 1pcp s PHE 21 CO 0.00 -0.63 1.46 -1.25 -0.05 0.00 0.00 175.22 174.75 1pcp s PRO 22 N -3.18 3.38 0.00 1.99 0.04 -1.26 -2.43 135.00 133.54 1pcp s PRO 22 Ca 0.07 0.72 0.00 0.00 0.04 0.00 0.00 61.00 61.83 1pcp s PRO 22 Cb -0.01 -4.10 0.00 0.00 0.04 0.00 0.00 34.50 30.43 1pcp s PRO 22 CO -0.06 -1.82 0.00 0.41 0.04 0.00 0.00 177.00 175.57 1pcp n GLY 23 N 5.22 1.10 3.50 0.56 0.00 -1.26 -5.12 105.19 109.19 1pcp n GLY 23 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 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 0.00 0.00 -2.38 -0.61 3.06 -1.02 -4.97 119.36 113.44 1pcp n ILE 24 Ca 0.00 -0.32 -0.13 0.00 -2.50 0.00 0.00 62.75 59.80 1pcp n ILE 24 Cb 0.00 -0.95 0.03 0.00 0.54 0.00 0.00 39.64 39.26 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 -4.72 1.96 0.00 9.51 -2.24 -1.26 -5.01 114.28 112.52 1pcp n THR 25 Ca 0.05 -3.62 0.00 0.00 -2.27 0.00 0.00 64.05 58.21 1pcp n THR 25 Cb 0.54 -0.04 0.00 0.00 -2.10 0.00 0.00 70.33 68.73 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 -0.66 0.00 0.00 3.42 3.41 -1.26 -4.24 113.62 114.30 1pcp n SER 26 Ca 0.27 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.88 1pcp n SER 26 Cb 0.89 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.84 1pcp n SER 26 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1pcp n ASP 27 N 0.75 0.00 0.05 4.04 -0.08 -1.26 0.32 116.55 120.37 1pcp n ASP 27 Ca 0.00 0.86 0.18 0.00 -1.51 0.00 0.00 54.79 54.32 1pcp n ASP 27 Cb 0.00 -0.40 0.45 0.00 2.34 0.00 0.00 41.12 43.51 1pcp n ASP 27 CO 0.00 0.00 0.00 1.56 0.12 0.00 0.00 177.20 178.88 1pcp h GLN 28 N 0.00 0.00 0.11 -0.67 4.20 -1.96 2.06 115.11 118.85 1pcp h GLN 28 Ca 0.00 0.00 -0.31 0.00 0.06 0.00 0.00 58.65 58.40 1pcp h GLN 28 Cb 0.00 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 1pcp h GLN 28 CO 0.00 0.00 -1.66 0.00 -0.67 0.00 0.00 178.83 176.50 1pcp n PHE 30 N -3.80 0.08 0.14 0.00 3.72 0.95 -0.66 117.46 117.89 1pcp n PHE 30 Ca -0.29 -0.04 0.02 0.00 -0.05 0.00 0.00 57.45 57.09 1pcp n PHE 30 Cb 0.94 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 39.46 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 -0.40 0.00 0.00 4.37 -1.04 0.50 -3.97 114.28 113.74 1pcp n THR 31 Ca 0.11 -0.32 0.12 0.00 -2.04 0.00 0.00 64.05 61.92 1pcp n THR 31 Cb 0.12 0.85 0.26 0.00 -1.82 0.00 0.00 70.33 69.74 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 -1.24 3.70 0.00 8.00 3.41 -1.13 -4.90 113.62 121.46 1pcp n SER 32 Ca 0.00 -2.00 0.00 0.00 -0.26 0.00 0.00 58.87 56.62 1pcp n SER 32 Cb 0.07 -0.36 0.00 0.00 -0.26 0.00 0.00 64.21 63.67 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 1.57 0.62 3.73 5.00 0.00 -1.23 -5.05 105.19 109.82 1pcp n GLY 33 Ca 0.22 -0.33 -0.22 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.51 -0.71 -0.39 0.00 2.19 -1.23 -2.06 117.98 113.26 1pcp s PHE 36 Ca 0.57 0.53 0.01 0.00 0.33 0.00 0.00 56.93 58.36 1pcp s PHE 36 Cb -0.07 -0.13 0.13 0.00 -1.31 0.00 0.00 43.02 41.63 1pcp s PHE 36 CO 0.35 -0.76 0.20 0.34 1.83 0.00 0.00 175.22 177.18 1pcp s ASP 37 N 2.48 3.56 -0.32 6.13 -1.08 0.25 -4.93 116.67 122.77 1pcp s ASP 37 Ca 0.11 -2.27 -0.02 0.00 -0.52 0.00 0.00 52.55 49.85 1pcp s ASP 37 Cb -0.15 -0.83 0.14 0.00 -1.46 0.00 0.00 42.92 40.63 1pcp s ASP 37 CO -0.19 -0.31 2.29 -1.20 0.52 0.00 0.00 175.17 176.27 1pcp n SER 38 N 3.99 6.35 0.06 -0.34 7.64 -1.26 -4.08 113.62 125.99 1pcp n SER 38 Ca 0.07 -3.04 0.13 0.00 1.01 0.00 0.00 58.87 57.04 1pcp n SER 38 Cb 0.37 -1.12 0.45 0.00 -1.01 0.00 0.00 64.21 62.89 1pcp n SER 38 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1pcp n GLN 39 N 0.65 0.17 -3.73 1.43 6.02 -1.26 -4.60 117.38 116.07 1pcp n GLN 39 Ca 0.34 0.13 -0.27 0.00 -0.01 0.00 0.00 57.00 57.19 1pcp n GLN 39 Cb 0.58 -1.69 -0.17 0.00 1.02 0.00 0.00 30.24 29.99 1pcp n GLN 39 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1pcp s VAL 40 N -3.07 0.41 -2.00 5.09 1.01 -1.26 -4.98 120.40 115.60 1pcp s VAL 40 Ca 0.11 -0.38 0.06 0.00 0.00 0.00 0.00 61.98 61.77 1pcp s VAL 40 Cb 0.15 -0.88 0.16 0.00 0.00 0.00 0.00 36.38 35.81 1pcp s VAL 40 CO 0.59 -0.13 1.00 -0.81 0.00 0.00 0.00 175.10 175.75 1pcp n PRO 41 N 5.10 0.75 -0.04 2.72 -0.04 -1.26 -1.99 135.00 140.24 1pcp n PRO 41 Ca -0.08 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.40 1pcp n PRO 41 Cb 0.48 -1.12 0.05 0.00 -0.04 0.00 0.00 33.50 32.87 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 0.31 0.74 3.24 0.55 0.00 -1.26 -5.03 105.19 103.74 1pcp n GLY 42 Ca 0.04 -0.17 -0.14 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.69 0.23 -0.13 1.61 -7.23 -0.84 -5.12 120.40 108.22 1pcp s VAL 43 Ca 0.09 -2.00 -0.29 0.00 -1.81 0.00 0.00 61.98 57.96 1pcp s VAL 43 Cb 0.05 -2.53 -0.02 0.00 0.56 0.00 0.00 36.38 34.44 1pcp s VAL 43 CO 0.07 -0.02 1.26 -2.16 -0.31 0.00 0.00 175.10 173.94 1pcp s PRO 44 N -4.11 4.27 0.03 4.82 0.04 -1.26 -4.83 135.00 133.96 1pcp s PRO 44 Ca 0.38 1.68 -0.17 0.00 0.04 0.00 0.00 61.00 62.93 1pcp s PRO 44 Cb 0.07 -3.70 -0.27 0.00 0.04 0.00 0.00 34.50 30.64 1pcp s PRO 44 CO 0.12 -0.63 1.09 -1.49 0.04 0.00 0.00 177.00 176.13 1pcp h TRP 45 N 8.00 0.83 -3.61 0.56 6.55 -1.85 -3.42 115.95 123.01 1pcp h TRP 45 Ca -0.29 -0.50 -0.62 0.00 0.95 0.00 0.00 58.89 58.43 1pcp h TRP 45 Cb 1.12 -0.08 -0.12 0.00 -0.86 0.00 0.00 29.16 29.23 1pcp h TRP 45 CO 0.78 1.34 0.44 0.00 -1.05 0.00 0.00 178.44 179.95 1pcp n PHE 47 N 6.90 0.00 -4.40 0.00 1.16 -0.88 0.11 117.46 120.36 1pcp n PHE 47 Ca 0.03 0.00 -0.26 0.00 -1.87 0.00 0.00 57.45 55.36 1pcp n PHE 47 Cb 0.48 0.00 -0.12 0.00 -1.61 0.00 0.00 39.48 38.24 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 1.67 1.46 1.00 3.97 0.00 -1.26 0.37 119.74 126.95 1pcp s LYS 48 Ca 0.00 -1.50 -0.15 0.00 0.00 0.00 0.00 55.97 54.32 1pcp s LYS 48 Cb 0.00 -1.71 0.19 0.00 0.00 0.00 0.00 37.83 36.31 1pcp s LYS 48 CO 0.00 0.36 1.18 -1.25 0.00 0.00 0.00 175.35 175.65 1pcp s PRO 49 N -2.71 0.38 -0.63 1.78 0.04 -1.26 -4.89 135.00 127.71 1pcp s PRO 49 Ca 0.20 -0.00 0.06 0.00 0.04 0.00 0.00 61.00 61.29 1pcp s PRO 49 Cb -0.07 -1.78 0.24 0.00 0.04 0.00 0.00 34.50 32.93 1pcp s PRO 49 CO 0.09 -2.66 0.71 1.47 0.04 0.00 0.00 177.00 176.65 1pcp n LEU 50 N -4.03 3.46 0.00 -3.56 -0.00 -1.25 -5.08 117.00 106.54 1pcp n LEU 50 Ca 0.11 -5.37 -0.05 0.00 -0.00 0.00 0.00 56.01 50.70 1pcp n LEU 50 Cb 0.59 -0.59 0.04 0.00 -0.00 0.00 0.00 43.42 43.46 1pcp n LEU 50 CO 0.51 2.03 0.12 -0.81 -0.00 0.00 0.00 177.39 179.24 1pcp n PRO 51 N 1.00 -0.77 -3.63 1.47 -0.04 -1.26 -4.68 135.00 127.09 1pcp n PRO 51 Ca 0.28 -0.31 -0.03 0.00 -0.04 0.00 0.00 63.50 63.41 1pcp n PRO 51 Cb 0.41 -0.24 -0.03 0.00 -0.04 0.00 0.00 33.50 33.60 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 -3.50 -2.11 0.31 0.55 0.00 -1.26 -4.91 121.76 110.83 1pcp s ALA 52 Ca 0.12 1.81 0.00 0.00 0.00 0.00 0.00 51.96 53.89 1pcp s ALA 52 Cb -0.01 -0.97 0.00 0.00 0.00 0.00 0.00 23.12 22.14 1pcp s ALA 52 CO 0.09 -0.37 0.00 1.04 0.00 0.00 0.00 175.76 176.52 1pcp n GLN 53 N 0.33 -2.16 0.00 0.00 1.13 -1.26 -3.61 117.38 111.81 1pcp n GLN 53 Ca 0.00 1.55 0.03 0.00 -1.94 0.00 0.00 57.00 56.65 1pcp n GLN 53 Cb 0.58 -2.70 0.15 0.00 0.11 0.00 0.00 30.24 28.39 1pcp n GLN 53 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 1pcp n GLU 54 N -3.46 0.00 -2.35 -1.09 1.02 -1.26 -4.67 120.64 108.83 1pcp n GLU 54 Ca -0.02 0.38 -0.25 0.00 -0.02 0.00 0.00 57.16 57.25 1pcp n GLU 54 Cb 0.63 -1.51 0.11 0.00 -0.02 0.00 0.00 31.44 30.65 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 -3.02 4.32 0.00 1.62 0.01 -1.24 -5.02 113.70 110.38 1pcp s SER 55 Ca 0.03 0.03 0.00 0.00 1.31 0.00 0.00 55.95 57.32 1pcp s SER 55 Cb 0.05 -0.46 0.00 0.00 0.21 0.00 0.00 66.02 65.81 1pcp s SER 55 CO 0.13 -1.89 0.13 1.21 0.41 0.00 0.00 173.24 173.23 1pcp n GLU 56 N -3.00 3.33 -0.31 12.44 4.07 -1.26 -4.34 120.64 131.59 1pcp n GLU 56 Ca 0.12 -0.13 0.08 0.00 -0.06 0.00 0.00 57.16 57.17 1pcp n GLU 56 Cb 0.60 -0.55 0.22 0.00 -0.06 0.00 0.00 31.44 31.66 1pcp n GLU 56 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 1pcp n GLU 57 N -0.51 2.97 -0.14 5.31 1.02 -1.26 -4.30 120.64 123.73 1pcp n GLU 57 Ca 0.00 -2.38 0.05 0.00 -0.02 0.00 0.00 57.16 54.81 1pcp n GLU 57 Cb 0.02 -1.48 0.14 0.00 -0.02 0.00 0.00 31.44 30.10 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 -1.64 4.43 -0.30 0.00 1.01 -1.26 -4.74 120.40 117.89 1pcp s VAL 59 Ca 0.19 1.73 -0.15 0.00 0.00 0.00 0.00 61.98 63.75 1pcp s VAL 59 Cb 0.10 -4.11 0.17 0.00 0.00 0.00 0.00 36.38 32.54 1pcp s VAL 59 CO 0.13 0.03 1.02 -0.04 0.00 0.00 0.00 175.10 176.24 1pcp s MET 60 N 1.93 0.26 0.88 2.72 -1.94 -1.26 -4.85 119.30 117.04 1pcp s MET 60 Ca 0.54 0.65 -0.10 0.00 -1.71 0.00 0.00 55.69 55.06 1pcp s MET 60 Cb -0.23 0.39 0.12 0.00 2.01 0.00 0.00 34.83 37.12 1pcp s MET 60 CO 0.22 -0.10 1.11 -0.65 -0.01 0.00 0.00 175.02 175.59 1pcp s GLN 61 N 2.45 1.38 -0.93 2.03 1.11 -1.26 -4.59 119.66 119.84 1pcp s GLN 61 Ca -0.02 1.30 -0.24 0.00 0.01 0.00 0.00 55.36 56.41 1pcp s GLN 61 Cb -0.06 -1.79 -0.22 0.00 -1.01 0.00 0.00 33.01 29.94 1pcp s GLN 61 CO -0.17 -2.30 1.97 1.33 0.01 0.00 0.00 175.29 176.13 1pcp n VAL 62 N -3.98 0.00 0.00 1.09 0.24 -1.26 0.55 118.33 114.97 1pcp n VAL 62 Ca 0.10 -0.05 0.00 0.00 -2.04 0.00 0.00 64.34 62.34 1pcp n VAL 62 Cb 0.53 -1.78 0.00 0.00 -1.47 0.00 0.00 33.84 31.12 1pcp n VAL 62 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1pcp n SER 63 N 17.99 0.00 0.10 -1.34 7.64 -1.26 -4.96 113.62 131.79 1pcp n SER 63 Ca 0.37 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.25 1pcp n SER 63 Cb 0.47 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.64 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 0.62 -1.90 -0.43 0.00 -0.17 -3.44 119.26 113.94 1pcp h ALA 64 Ca 0.00 -0.65 -0.58 0.00 0.00 0.00 0.00 54.91 53.69 1pcp h ALA 64 Cb 0.00 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1pcp h ALA 64 CO 0.00 0.82 1.24 1.03 0.00 0.00 0.00 179.25 182.34 1pcp s ARG 65 N -2.90 3.44 -0.06 0.00 0.52 -1.22 -4.82 118.95 113.89 1pcp s ARG 65 Ca 0.02 1.46 0.05 0.00 -0.52 0.00 0.00 55.73 56.74 1pcp s ARG 65 Cb 0.08 -4.16 0.26 0.00 0.52 0.00 0.00 34.95 31.65 1pcp s ARG 65 CO 0.77 -1.74 0.95 0.36 0.02 0.00 0.00 175.30 175.67 1pcp n LYS 66 N 8.28 2.15 -1.45 3.54 2.85 -1.26 -4.90 118.16 127.36 1pcp n LYS 66 Ca 0.22 -0.99 0.09 0.00 -1.05 0.00 0.00 58.31 56.58 1pcp n LYS 66 Cb 0.46 -1.66 -0.05 0.00 -0.65 0.00 0.00 35.03 33.14 1pcp n LYS 66 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 1pcp n ASN 67 N 0.20 -7.38 -3.54 -5.58 5.15 -1.26 -4.77 115.26 98.08 1pcp n ASN 67 Ca 0.09 1.50 -0.11 0.00 -0.60 0.00 0.00 54.58 55.46 1pcp n ASN 67 Cb 0.50 -4.76 -0.02 0.00 -0.53 0.00 0.00 39.78 34.96 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 -0.39 0.46 3.45 0.00 0.00 -1.26 -4.43 105.19 103.02 1pcp n GLY 69 Ca -0.14 -0.83 -0.23 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 0.00 2.10 -1.25 1.61 1.13 -1.26 -5.05 117.35 114.63 1pcp s TYR 70 Ca 0.00 -0.55 -0.20 0.00 -1.41 0.00 0.00 57.07 54.91 1pcp s TYR 70 Cb 0.00 -1.10 -0.01 0.00 -1.10 0.00 0.00 41.96 39.75 1pcp s TYR 70 CO 0.00 0.47 1.84 -0.35 -2.51 0.00 0.00 175.55 174.99 1pcp n PRO 71 N -0.61 2.43 0.00 -3.49 -0.04 -1.26 -2.47 135.00 129.56 1pcp n PRO 71 Ca -0.06 -2.88 0.00 0.00 -0.04 0.00 0.00 63.50 60.52 1pcp n PRO 71 Cb 0.62 -3.61 0.00 0.00 -0.04 0.00 0.00 33.50 30.47 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 5.57 0.31 3.15 0.55 0.00 -1.26 -5.15 105.19 108.37 1pcp n GLY 72 Ca 0.47 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.14 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 -4.06 -0.61 3.06 -1.03 -5.01 119.36 111.71 1pcp n ILE 73 Ca 0.00 -0.34 -0.21 0.00 -2.50 0.00 0.00 62.75 59.70 1pcp n ILE 73 Cb 0.00 -0.24 -0.02 0.00 0.54 0.00 0.00 39.64 39.92 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 1.60 2.56 0.00 9.51 2.88 -1.26 -4.96 113.62 123.95 1pcp n SER 74 Ca 0.01 -2.49 0.00 0.00 -1.33 0.00 0.00 58.87 55.06 1pcp n SER 74 Cb 0.57 0.07 0.00 0.00 -0.75 0.00 0.00 64.21 64.11 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 -1.27 0.00 0.21 -1.46 -0.04 -1.26 0.73 135.00 131.90 1pcp n PRO 75 Ca -0.07 0.32 0.14 0.00 -0.04 0.00 0.00 63.50 63.85 1pcp n PRO 75 Cb 0.47 -0.94 0.52 0.00 -0.04 0.00 0.00 33.50 33.50 1pcp n PRO 75 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1pcp h GLU 76 N 0.00 0.00 0.06 0.54 5.08 -1.99 1.55 114.58 119.82 1pcp h GLU 76 Ca 0.00 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 58.02 1pcp h GLU 76 Cb 0.00 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 1pcp h GLU 76 CO 0.00 0.00 -1.94 -0.25 -1.00 0.00 0.00 179.01 175.82 1pcp n ASP 77 N -2.98 1.44 -0.05 1.42 9.92 -1.24 -2.92 116.55 122.14 1pcp n ASP 77 Ca 0.04 0.26 -0.13 0.00 -0.53 0.00 0.00 54.79 54.43 1pcp n ASP 77 Cb 0.77 -0.37 -0.08 0.00 -0.64 0.00 0.00 41.12 40.80 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 0.01 0.54 0.00 0.00 0.00 -1.27 0.90 119.26 119.44 1pcp h ALA 79 Ca 0.07 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1pcp h ALA 79 Cb 0.64 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1pcp h ALA 79 CO -0.47 0.28 0.00 0.00 0.00 0.00 0.00 179.25 179.06 1pcp h ALA 80 N 0.91 1.00 0.00 0.00 0.00 -1.06 -3.15 119.26 116.96 1pcp h ALA 80 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1pcp h ALA 80 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1pcp h ALA 80 CO 0.01 0.00 -0.46 0.54 0.00 0.00 0.00 179.25 179.34 1pcp n ARG 81 N -2.55 0.26 0.00 0.00 3.00 0.79 -5.02 116.66 113.14 1pcp n ARG 81 Ca -0.01 0.16 0.00 0.00 -0.01 0.00 0.00 57.85 57.98 1pcp n ARG 81 Cb 0.08 -1.02 0.00 0.00 0.00 0.00 0.00 32.46 31.52 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 -3.48 0.00 -3.56 0.55 3.02 0.30 -5.07 115.26 107.02 1pcp n ASN 82 Ca -0.06 0.00 -0.16 0.00 -0.03 0.00 0.00 54.58 54.33 1pcp n ASN 82 Cb 0.24 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.35 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 0.33 3.46 -0.54 0.00 2.19 -1.20 -0.44 117.98 121.78 1pcp s PHE 85 Ca 0.43 -2.46 0.05 0.00 0.33 0.00 0.00 56.93 55.28 1pcp s PHE 85 Cb -0.21 -2.42 0.18 0.00 -1.31 0.00 0.00 43.02 39.27 1pcp s PHE 85 CO 0.25 -0.90 0.45 0.45 1.83 0.00 0.00 175.22 177.30 1pcp n SER 86 N 4.43 1.22 0.00 6.13 2.88 -0.56 -4.53 113.62 123.19 1pcp n SER 86 Ca -0.07 -2.80 0.07 0.00 -1.33 0.00 0.00 58.87 54.74 1pcp n SER 86 Cb 0.42 -0.65 0.37 0.00 -0.75 0.00 0.00 64.21 63.60 1pcp n SER 86 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1pcp n ASP 87 N 2.20 0.00 -0.54 -3.46 5.75 -1.26 -3.53 116.55 115.71 1pcp n ASP 87 Ca 0.25 0.08 0.41 0.00 -0.01 0.00 0.00 54.79 55.53 1pcp n ASP 87 Cb 0.43 -0.29 0.64 0.00 -1.03 0.00 0.00 41.12 40.88 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 -1.29 -0.05 -4.02 2.12 5.66 -1.26 -2.93 114.28 112.50 1pcp n THR 88 Ca 0.07 1.27 -0.31 0.00 -3.05 0.00 0.00 64.05 62.02 1pcp n THR 88 Cb 0.12 -2.11 -0.15 0.00 -1.55 0.00 0.00 70.33 66.64 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 -4.60 2.08 0.36 1.09 1.09 -1.23 -5.11 121.20 114.88 1pcp s ILE 89 Ca -0.04 -1.81 -0.26 0.00 -1.10 0.00 0.00 60.65 57.43 1pcp s ILE 89 Cb 0.23 -2.33 -0.09 0.00 -1.06 0.00 0.00 42.46 39.20 1pcp s ILE 89 CO 0.71 -0.25 1.06 -2.16 -0.10 0.00 0.00 174.94 174.20 1pcp s PRO 90 N 1.09 4.32 0.00 2.79 0.04 -1.15 -3.77 135.00 138.32 1pcp s PRO 90 Ca -0.01 1.61 0.00 0.00 0.04 0.00 0.00 61.00 62.63 1pcp s PRO 90 Cb -0.19 -2.76 0.00 0.00 0.04 0.00 0.00 34.50 31.59 1pcp s PRO 90 CO -0.07 -0.02 0.00 0.39 0.04 0.00 0.00 177.00 177.34 1pcp n GLU 91 N 0.35 0.00 -4.00 4.56 -0.58 -1.26 -5.08 120.64 114.64 1pcp n GLU 91 Ca 0.03 0.06 -0.10 0.00 -0.42 0.00 0.00 57.16 56.73 1pcp n GLU 91 Cb 0.48 -1.36 -0.05 0.00 -0.57 0.00 0.00 31.44 29.95 1pcp n GLU 91 CO 0.00 0.00 0.00 0.14 -0.48 0.00 0.00 177.13 176.79 1pcp s VAL 92 N -2.00 0.00 -0.59 2.62 -7.23 -1.25 -5.10 120.40 106.85 1pcp s VAL 92 Ca 0.00 -1.40 -0.27 0.00 -1.81 0.00 0.00 61.98 58.50 1pcp s VAL 92 Cb 0.00 -2.28 0.01 0.00 0.56 0.00 0.00 36.38 34.67 1pcp s VAL 92 CO 0.00 0.00 1.52 -2.16 -0.31 0.00 0.00 175.10 174.15 1pcp s PRO 93 N -3.83 3.14 0.05 4.82 0.04 -1.26 -4.85 135.00 133.11 1pcp s PRO 93 Ca 0.23 0.44 -0.20 0.00 0.04 0.00 0.00 61.00 61.51 1pcp s PRO 93 Cb -0.01 -4.20 -0.13 0.00 0.04 0.00 0.00 34.50 30.20 1pcp s PRO 93 CO 0.10 -2.14 1.37 -1.49 0.04 0.00 0.00 177.00 174.88 1pcp h TRP 94 N 11.88 0.46 -2.80 0.56 6.55 -1.87 -3.38 115.95 127.35 1pcp h TRP 94 Ca -0.27 -0.13 -0.65 0.00 0.95 0.00 0.00 58.89 58.79 1pcp h TRP 94 Cb 1.11 -0.10 -0.16 0.00 -0.86 0.00 0.00 29.16 29.15 1pcp h TRP 94 CO 1.05 0.75 0.41 0.00 -1.05 0.00 0.00 178.44 179.59 1pcp n PHE 96 N 7.25 0.11 -4.21 0.00 -1.74 0.42 0.30 117.46 119.58 1pcp n PHE 96 Ca -0.05 -0.28 -0.33 0.00 -0.56 0.00 0.00 57.45 56.23 1pcp n PHE 96 Cb 0.45 -0.03 -0.08 0.00 1.52 0.00 0.00 39.48 41.34 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 -1.31 3.18 -0.23 2.97 0.08 -1.25 -1.48 117.98 119.95 1pcp s PHE 97 Ca 0.00 0.16 -0.29 0.00 0.12 0.00 0.00 56.93 56.92 1pcp s PHE 97 Cb 0.00 -1.72 -0.01 0.00 -0.57 0.00 0.00 43.02 40.72 1pcp s PHE 97 CO 0.00 0.51 1.31 -1.25 -0.10 0.00 0.00 175.22 175.69 1pcp s PRO 98 N -1.53 4.07 0.33 0.24 0.04 -1.26 -4.73 135.00 132.16 1pcp s PRO 98 Ca 0.20 1.49 0.01 0.00 0.04 0.00 0.00 61.00 62.74 1pcp s PRO 98 Cb -0.12 -3.84 -0.03 0.00 0.04 0.00 0.00 34.50 30.55 1pcp s PRO 98 CO 0.10 -0.93 0.53 1.41 0.04 0.00 0.00 177.00 178.16 1pcp s MET 99 N 3.88 3.49 0.36 4.56 1.75 -1.24 -5.07 119.30 127.02 1pcp s MET 99 Ca 0.57 -0.36 0.06 0.00 -1.25 0.00 0.00 55.69 54.70 1pcp s MET 99 Cb -0.20 -2.68 -0.01 0.00 2.84 0.00 0.00 34.83 34.78 1pcp s MET 99 CO 0.19 0.18 0.51 0.45 -0.65 0.00 0.00 175.02 175.70 1pcp s SER 100 N -3.99 5.93 0.00 1.11 0.15 -1.26 -4.91 113.70 110.74 1pcp s SER 100 Ca 0.39 -0.12 0.00 0.00 0.70 0.00 0.00 55.95 56.92 1pcp s SER 100 Cb -0.10 -1.26 0.00 0.00 -1.71 0.00 0.00 66.02 62.96 1pcp s SER 100 CO 0.35 -0.49 0.00 1.33 1.20 0.00 0.00 173.24 175.63 1pcp n VAL 101 N -1.72 0.00 -3.60 4.45 0.24 -1.26 -4.85 118.33 111.59 1pcp n VAL 101 Ca 0.00 0.00 -0.26 0.00 -2.04 0.00 0.00 64.34 62.05 1pcp n VAL 101 Cb 0.58 -0.41 0.01 0.00 -1.47 0.00 0.00 33.84 32.55 1pcp n VAL 101 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 1pcp n GLU 102 N 0.00 -1.68 0.00 7.34 0.28 -1.26 -4.45 120.64 120.88 1pcp n GLU 102 Ca 0.00 1.08 0.00 0.00 -0.16 0.00 0.00 57.16 58.08 1pcp n GLU 102 Cb 0.00 -2.71 0.00 0.00 1.43 0.00 0.00 31.44 30.16 1pcp n GLU 102 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 1pcp n ASP 103 N -1.75 0.00 -4.96 -1.84 5.68 -1.26 -5.14 116.55 107.28 1pcp n ASP 103 Ca -0.20 0.00 -0.22 0.00 -0.50 0.00 0.00 54.79 53.87 1pcp n ASP 103 Cb 0.66 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 40.62 1pcp n ASP 103 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1pcp s HIS 105 N -1.95 -0.49 -2.89 0.00 -3.43 -1.26 -4.90 115.29 100.37 1pcp s HIS 105 Ca 0.34 0.34 0.25 0.00 -0.80 0.00 0.00 55.06 55.19 1pcp s HIS 105 Cb -0.09 0.55 0.38 0.00 -1.43 0.00 0.00 32.58 31.98 1pcp s HIS 105 CO 0.29 -0.75 1.37 0.66 -2.00 0.00 0.00 174.74 174.30