#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 0.02 0.07 3.44 4.76 -0.59 -4.33 118.16 121.53 1pcp n LYS 2 Ca 0.00 0.01 -0.07 0.00 -2.87 0.00 0.00 58.31 55.38 1pcp n LYS 2 Cb 0.00 -1.51 -0.04 0.00 -1.84 0.00 0.00 35.03 31.64 1pcp n LYS 2 CO 0.00 0.00 0.00 -1.00 -1.37 0.00 0.00 177.40 175.03 1pcp h PRO 3 N 4.41 -0.27 0.00 1.97 0.13 -1.86 -3.49 132.00 132.89 1pcp h PRO 3 Ca -0.46 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1pcp h PRO 3 Cb 1.39 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.58 1pcp h PRO 3 CO 0.88 -0.03 0.00 0.00 -0.23 0.00 0.00 178.00 178.61 1pcp n ALA 4 N -2.70 0.00 0.00 -0.56 0.00 -1.26 -4.92 120.51 111.06 1pcp n ALA 4 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1pcp n ALA 4 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.63 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 0.00 1.43 0.00 0.00 -1.26 -4.69 120.51 115.99 1pcp n ALA 5 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.59 1pcp n ALA 5 Cb 0.00 0.00 0.75 0.00 0.00 0.00 0.00 19.45 20.20 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 -1.27 2.18 0.00 0.00 1.74 -1.26 -4.32 116.66 113.73 1pcp n ARG 7 Ca 0.15 -3.67 0.00 0.00 -0.77 0.00 0.00 57.85 53.55 1pcp n ARG 7 Cb 0.23 -1.76 0.00 0.00 -1.02 0.00 0.00 32.46 29.91 1pcp n ARG 7 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1pcp n SER 9 N -1.68 -0.56 -2.84 0.00 3.41 -1.17 0.30 113.62 111.09 1pcp n SER 9 Ca 0.00 -0.27 -0.08 0.00 -0.26 0.00 0.00 58.87 58.26 1pcp n SER 9 Cb 0.00 -0.19 -0.01 0.00 -0.26 0.00 0.00 64.21 63.75 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 1.80 -2.62 0.00 4.33 3.00 -1.26 -4.60 116.66 117.31 1pcp n ARG 10 Ca 0.17 0.09 0.00 0.00 -0.00 0.00 0.00 57.85 58.11 1pcp n ARG 10 Cb 0.08 -4.62 0.00 0.00 0.00 0.00 0.00 32.46 27.93 1pcp n ARG 10 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 1pcp n GLN 11 N -2.81 0.00 -4.01 -0.14 1.13 0.87 -4.11 117.38 108.31 1pcp n GLN 11 Ca 0.01 0.00 -0.11 0.00 -1.94 0.00 0.00 57.00 54.95 1pcp n GLN 11 Cb 0.50 0.00 -0.12 0.00 0.11 0.00 0.00 30.24 30.74 1pcp n GLN 11 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 1pcp s ASP 12 N 0.00 0.45 -1.19 1.08 -1.08 -1.26 -4.88 116.67 109.79 1pcp s ASP 12 Ca 0.00 -0.43 -0.21 0.00 -0.52 0.00 0.00 52.55 51.39 1pcp s ASP 12 Cb 0.00 0.06 -0.01 0.00 -1.46 0.00 0.00 42.92 41.51 1pcp s ASP 12 CO 0.00 -0.21 1.81 -2.16 0.52 0.00 0.00 175.17 175.13 1pcp s PRO 13 N -1.25 3.22 0.00 4.34 0.04 -1.26 -4.22 135.00 135.87 1pcp s PRO 13 Ca -0.11 -1.43 0.00 0.00 0.04 0.00 0.00 61.00 59.50 1pcp s PRO 13 Cb -0.08 -5.36 0.00 0.00 0.04 0.00 0.00 34.50 29.09 1pcp s PRO 13 CO -0.00 -3.06 0.00 1.17 0.04 0.00 0.00 177.00 175.15 1pcp n LYS 14 N 8.44 0.00 0.00 4.56 4.81 -1.26 -5.07 118.16 129.64 1pcp n LYS 14 Ca 0.45 0.06 0.00 0.00 -0.87 0.00 0.00 58.31 57.95 1pcp n LYS 14 Cb 0.47 -0.12 0.00 0.00 0.02 0.00 0.00 35.03 35.40 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 0.01 -3.46 3.14 5.03 -1.26 -5.08 115.26 113.63 1pcp n ASN 15 Ca 0.00 0.00 -0.34 0.00 0.87 0.00 0.00 54.58 55.11 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 -2.11 -1.83 0.00 0.00 177.26 173.32 1pcp n ARG 16 N -0.14 -1.93 -2.48 3.52 1.85 -1.26 -4.93 116.66 111.30 1pcp n ARG 16 Ca 0.00 1.43 -0.01 0.00 -1.00 0.00 0.00 57.85 58.27 1pcp n ARG 16 Cb 0.00 -2.53 0.07 0.00 -1.05 0.00 0.00 32.46 28.95 1pcp n ARG 16 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 1pcp n VAL 17 N -0.50 0.46 -0.86 8.89 0.31 -1.26 -5.13 118.33 120.23 1pcp n VAL 17 Ca -0.09 -1.59 -0.28 0.00 -0.01 0.00 0.00 64.34 62.38 1pcp n VAL 17 Cb 0.66 1.06 0.00 0.00 -0.91 0.00 0.00 33.84 34.65 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 -0.90 -2.15 -0.24 4.52 2.85 -1.26 -4.08 115.26 114.00 1pcp n ASN 18 Ca -0.08 0.51 0.02 0.00 -0.11 0.00 0.00 54.58 54.92 1pcp n ASN 18 Cb 0.85 -0.59 0.03 0.00 1.24 0.00 0.00 39.78 41.32 1pcp n ASN 18 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1pcp n GLY 20 N -0.36 4.01 3.17 0.00 0.00 -1.26 -4.82 105.19 105.92 1pcp n GLY 20 Ca 0.03 -0.29 -0.09 0.00 0.00 0.00 0.00 46.02 45.67 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 1.11 0.74 -2.00 1.61 -0.71 -1.26 -5.02 117.98 112.45 1pcp s PHE 21 Ca 0.00 -1.14 0.21 0.00 -1.04 0.00 0.00 56.93 54.96 1pcp s PHE 21 Cb 0.00 -0.40 1.25 0.00 -1.21 0.00 0.00 43.02 42.65 1pcp s PHE 21 CO 0.00 -0.53 1.66 -0.35 -1.34 0.00 0.00 175.22 174.66 1pcp n PRO 22 N -0.08 0.75 -0.12 1.99 -0.04 -1.26 -2.14 135.00 134.11 1pcp n PRO 22 Ca -0.07 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.43 1pcp n PRO 22 Cb 0.63 -1.43 0.10 0.00 -0.04 0.00 0.00 33.50 32.75 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 3.32 3.57 0.55 0.00 -1.26 -5.04 105.19 106.81 1pcp n GLY 23 Ca 0.16 -0.40 -0.30 0.00 0.00 0.00 0.00 46.02 45.48 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 -1.48 1.68 -0.30 -0.61 2.07 -0.91 -5.01 121.20 116.64 1pcp s ILE 24 Ca 0.17 0.00 0.19 0.00 -1.41 0.00 0.00 60.65 59.60 1pcp s ILE 24 Cb 0.12 -2.42 0.47 0.00 0.13 0.00 0.00 42.46 40.76 1pcp s ILE 24 CO 0.06 0.00 1.03 0.35 -1.91 0.00 0.00 174.94 174.47 1pcp n THR 25 N -4.74 1.04 0.00 4.00 -2.24 -1.26 -5.03 114.28 106.05 1pcp n THR 25 Ca 0.10 -2.92 0.00 0.00 -2.27 0.00 0.00 64.05 58.97 1pcp n THR 25 Cb 0.59 0.91 0.00 0.00 -2.10 0.00 0.00 70.33 69.73 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 -0.30 0.00 -0.12 3.42 3.41 -1.26 -3.95 113.62 114.83 1pcp n SER 26 Ca 0.07 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.65 1pcp n SER 26 Cb 0.82 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.74 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 0.68 -0.30 0.25 4.04 8.00 -1.26 0.36 116.55 128.33 1pcp n ASP 27 Ca 0.00 1.16 0.13 0.00 0.71 0.00 0.00 54.79 56.78 1pcp n ASP 27 Cb 0.00 -0.39 0.54 0.00 -0.02 0.00 0.00 41.12 41.25 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 0.06 -1.24 1.08 -1.97 2.21 115.11 115.26 1pcp h GLN 28 Ca 0.04 0.00 -0.33 0.00 -1.45 0.00 0.00 58.65 56.92 1pcp h GLN 28 Cb 0.12 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.51 1pcp h GLN 28 CO -0.26 0.00 -1.84 0.00 -0.95 0.00 0.00 178.83 175.78 1pcp n PHE 30 N -3.26 0.50 0.15 0.00 3.72 0.65 -1.85 117.46 117.36 1pcp n PHE 30 Ca -0.24 -0.25 0.02 0.00 -0.05 0.00 0.00 57.45 56.93 1pcp n PHE 30 Cb 1.05 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.56 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 0.74 0.00 -0.24 4.37 -1.04 0.41 -1.54 114.28 116.99 1pcp n THR 31 Ca 0.15 -0.29 0.12 0.00 -2.04 0.00 0.00 64.05 61.99 1pcp n THR 31 Cb 0.38 0.79 0.31 0.00 -1.82 0.00 0.00 70.33 69.99 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 -1.31 3.87 0.00 8.00 3.41 -1.20 -3.56 113.62 122.84 1pcp n SER 32 Ca 0.00 -2.00 0.00 0.00 -0.26 0.00 0.00 58.87 56.61 1pcp n SER 32 Cb 0.09 -0.45 0.00 0.00 -0.26 0.00 0.00 64.21 63.59 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 1.65 1.38 3.94 5.00 0.00 -1.26 -4.85 105.19 111.05 1pcp n GLY 33 Ca 0.24 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.38 -0.09 0.16 0.00 5.36 -1.26 -1.05 117.98 118.72 1pcp s PHE 36 Ca 0.31 0.22 0.00 0.00 -0.96 0.00 0.00 56.93 56.51 1pcp s PHE 36 Cb -0.06 0.02 0.00 0.00 -0.34 0.00 0.00 43.02 42.64 1pcp s PHE 36 CO 0.19 -0.11 0.00 -3.47 -1.46 0.00 0.00 175.22 170.37 1pcp n ASP 37 N 2.70 0.27 -3.50 6.13 -0.08 -0.83 -4.75 116.55 116.50 1pcp n ASP 37 Ca -0.15 0.27 -0.20 0.00 -1.51 0.00 0.00 54.79 53.20 1pcp n ASP 37 Cb 0.58 0.08 0.03 0.00 2.34 0.00 0.00 41.12 44.15 1pcp n ASP 37 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 1pcp n SER 38 N -3.30 -6.03 0.00 1.67 3.41 -1.24 -4.91 113.62 103.22 1pcp n SER 38 Ca 0.00 -0.72 0.00 0.00 -0.26 0.00 0.00 58.87 57.89 1pcp n SER 38 Cb 0.05 -3.70 0.00 0.00 -0.26 0.00 0.00 64.21 60.30 1pcp n SER 38 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1pcp n GLN 39 N -3.12 2.17 -4.26 4.33 6.02 -1.26 -5.02 117.38 116.25 1pcp n GLN 39 Ca -0.11 -0.10 -0.28 0.00 -0.01 0.00 0.00 57.00 56.50 1pcp n GLN 39 Cb 0.59 -0.46 -0.17 0.00 1.02 0.00 0.00 30.24 31.22 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 -0.34 1.32 -0.20 5.09 1.01 -1.26 -5.10 120.40 120.91 1pcp s VAL 40 Ca 0.00 -0.52 -0.29 0.00 0.00 0.00 0.00 61.98 61.17 1pcp s VAL 40 Cb 0.00 -1.24 -0.01 0.00 0.00 0.00 0.00 36.38 35.13 1pcp s VAL 40 CO 0.00 0.41 1.29 -2.16 0.00 0.00 0.00 175.10 174.64 1pcp s PRO 41 N 1.21 4.13 0.00 2.72 0.04 -1.26 -3.74 135.00 138.10 1pcp s PRO 41 Ca -0.03 1.56 0.00 0.00 0.04 0.00 0.00 61.00 62.57 1pcp s PRO 41 Cb -0.14 -3.81 0.00 0.00 0.04 0.00 0.00 34.50 30.59 1pcp s PRO 41 CO -0.04 -0.84 0.00 0.41 0.04 0.00 0.00 177.00 176.57 1pcp n GLY 42 N 3.85 2.57 3.38 0.56 0.00 -1.26 -5.07 105.19 109.22 1pcp n GLY 42 Ca 0.14 -0.78 -0.31 0.00 0.00 0.00 0.00 46.02 45.07 1pcp n GLY 42 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1pcp n VAL 43 N 0.00 0.00 -2.38 1.61 0.24 -1.25 -4.86 118.33 111.70 1pcp n VAL 43 Ca 0.00 -0.30 -0.43 0.00 -2.04 0.00 0.00 64.34 61.57 1pcp n VAL 43 Cb 0.00 -0.75 -0.02 0.00 -1.47 0.00 0.00 33.84 31.60 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 -3.84 3.85 0.09 7.34 0.04 -1.26 -4.89 135.00 136.33 1pcp s PRO 44 Ca 0.61 1.25 -0.18 0.00 0.04 0.00 0.00 61.00 62.72 1pcp s PRO 44 Cb -0.18 -3.92 -0.08 0.00 0.04 0.00 0.00 34.50 30.36 1pcp s PRO 44 CO 0.66 -1.20 1.51 -1.49 0.04 0.00 0.00 177.00 176.51 1pcp h TRP 45 N 9.65 0.54 -3.28 0.56 6.55 -1.89 -3.42 115.95 124.66 1pcp h TRP 45 Ca -0.27 -0.10 -0.57 0.00 0.95 0.00 0.00 58.89 58.89 1pcp h TRP 45 Cb 1.10 -0.14 -0.05 0.00 -0.86 0.00 0.00 29.16 29.22 1pcp h TRP 45 CO 0.90 0.66 -0.03 0.00 -1.05 0.00 0.00 178.44 178.92 1pcp n PHE 47 N 2.56 -0.44 -4.29 0.00 1.16 -0.21 -2.64 117.46 113.60 1pcp n PHE 47 Ca -0.08 0.00 -0.26 0.00 -1.87 0.00 0.00 57.45 55.24 1pcp n PHE 47 Cb 0.51 0.00 -0.09 0.00 -1.61 0.00 0.00 39.48 38.29 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 -1.35 2.10 0.91 3.97 0.00 -1.26 -0.44 119.74 123.69 1pcp s LYS 48 Ca 0.00 -1.28 -0.12 0.00 0.00 0.00 0.00 55.97 54.56 1pcp s LYS 48 Cb 0.00 -2.16 0.14 0.00 0.00 0.00 0.00 37.83 35.81 1pcp s LYS 48 CO 0.00 0.43 1.14 -1.25 0.00 0.00 0.00 175.35 175.66 1pcp s PRO 49 N -2.94 1.11 -0.68 1.78 0.04 -1.26 -4.83 135.00 128.22 1pcp s PRO 49 Ca 0.26 0.28 0.05 0.00 0.04 0.00 0.00 61.00 61.63 1pcp s PRO 49 Cb -0.08 -1.84 0.23 0.00 0.04 0.00 0.00 34.50 32.85 1pcp s PRO 49 CO 0.16 -2.21 0.72 1.28 0.04 0.00 0.00 177.00 176.99 1pcp n LEU 50 N -3.78 3.73 -4.80 -3.56 4.32 -1.26 -5.08 117.00 106.58 1pcp n LEU 50 Ca 0.07 -5.38 -0.34 0.00 -0.02 0.00 0.00 56.01 50.33 1pcp n LEU 50 Cb 0.59 -0.72 -0.04 0.00 -1.62 0.00 0.00 43.42 41.63 1pcp n LEU 50 CO 0.57 1.97 0.72 -2.16 -1.22 0.00 0.00 177.39 177.26 1pcp s PRO 51 N -2.25 3.83 -0.05 3.23 0.04 -1.26 -4.48 135.00 134.05 1pcp s PRO 51 Ca 0.36 1.37 -0.21 0.00 0.04 0.00 0.00 61.00 62.56 1pcp s PRO 51 Cb 0.10 -2.13 0.04 0.00 0.04 0.00 0.00 34.50 32.56 1pcp s PRO 51 CO -0.04 -0.40 0.46 0.00 0.04 0.00 0.00 177.00 177.05 1pcp s ALA 52 N -1.96 -1.18 0.49 8.56 0.00 -1.26 -5.01 121.76 121.39 1pcp s ALA 52 Ca 0.67 0.82 0.00 0.00 0.00 0.00 0.00 51.96 53.45 1pcp s ALA 52 Cb -0.17 -0.08 0.00 0.00 0.00 0.00 0.00 23.12 22.87 1pcp s ALA 52 CO 0.20 -0.29 0.00 1.04 0.00 0.00 0.00 175.76 176.71 1pcp n GLN 53 N 1.38 -2.78 0.00 0.00 1.13 -1.26 -3.01 117.38 112.84 1pcp n GLN 53 Ca -0.19 2.20 0.07 0.00 -1.94 0.00 0.00 57.00 57.14 1pcp n GLN 53 Cb 0.56 -3.36 0.36 0.00 0.11 0.00 0.00 30.24 27.91 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 -4.09 0.14 0.12 -1.09 1.02 -1.26 -2.92 120.64 112.56 1pcp n GLU 54 Ca -0.06 0.18 -0.13 0.00 -0.02 0.00 0.00 57.16 57.12 1pcp n GLU 54 Cb 0.62 -1.50 -0.08 0.00 -0.02 0.00 0.00 31.44 30.45 1pcp n GLU 54 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1pcp h SER 55 N 0.00 -0.25 0.00 1.62 0.87 -2.03 -3.47 113.55 110.29 1pcp h SER 55 Ca 0.00 -0.18 0.00 0.00 -1.23 0.00 0.00 61.79 60.38 1pcp h SER 55 Cb 0.18 0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.20 1pcp h SER 55 CO 0.00 0.05 0.00 1.21 -0.53 0.00 0.00 176.83 177.56 1pcp n GLU 56 N -5.10 0.00 -0.43 2.24 2.13 -1.15 -4.72 120.64 113.61 1pcp n GLU 56 Ca -0.09 0.00 0.11 0.00 0.66 0.00 0.00 57.16 57.83 1pcp n GLU 56 Cb 0.23 -0.16 0.32 0.00 0.27 0.00 0.00 31.44 32.10 1pcp n GLU 56 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1pcp n GLU 57 N -0.56 2.93 -0.13 5.31 2.13 -1.26 -4.05 120.64 125.01 1pcp n GLU 57 Ca 0.00 -2.60 0.04 0.00 0.66 0.00 0.00 57.16 55.27 1pcp n GLU 57 Cb 0.00 -1.65 0.13 0.00 0.27 0.00 0.00 31.44 30.19 1pcp n GLU 57 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1pcp s VAL 59 N -1.66 3.39 0.00 0.00 1.01 -1.26 -4.80 120.40 117.09 1pcp s VAL 59 Ca 0.18 1.08 0.00 0.00 0.00 0.00 0.00 61.98 63.24 1pcp s VAL 59 Cb 0.09 -3.56 0.00 0.00 0.00 0.00 0.00 36.38 32.91 1pcp s VAL 59 CO 0.12 0.02 0.00 1.15 0.00 0.00 0.00 175.10 176.39 1pcp n MET 60 N -0.20 0.00 -2.24 2.72 0.00 -1.26 -4.95 117.12 111.19 1pcp n MET 60 Ca 0.06 0.00 -0.27 0.00 0.00 0.00 0.00 57.70 57.49 1pcp n MET 60 Cb 0.48 0.00 0.04 0.00 0.00 0.00 0.00 33.22 33.75 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 -0.87 2.70 -0.91 3.17 -0.21 -1.26 -4.81 119.66 117.47 1pcp s GLN 61 Ca 0.00 0.02 -0.24 0.00 0.02 0.00 0.00 55.36 55.16 1pcp s GLN 61 Cb 0.00 -2.19 -0.20 0.00 1.00 0.00 0.00 33.01 31.62 1pcp s GLN 61 CO 0.00 -0.92 2.12 0.28 -2.12 0.00 0.00 175.29 174.65 1pcp n VAL 62 N -2.76 0.00 0.00 1.09 0.31 -1.26 0.09 118.33 115.80 1pcp n VAL 62 Ca 0.06 -0.21 0.00 0.00 -0.01 0.00 0.00 64.34 64.18 1pcp n VAL 62 Cb 0.58 -1.76 0.00 0.00 -0.91 0.00 0.00 33.84 31.75 1pcp n VAL 62 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1pcp n SER 63 N 17.94 0.00 0.17 4.52 2.88 -1.26 -4.94 113.62 132.93 1pcp n SER 63 Ca 0.41 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 58.07 1pcp n SER 63 Cb 0.45 0.00 0.20 0.00 -0.75 0.00 0.00 64.21 64.11 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 0.00 0.91 -3.06 -1.46 0.00 -0.67 -3.45 119.26 111.53 1pcp h ALA 64 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1pcp h ALA 64 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 17.79 17.82 1pcp h ALA 64 CO 0.00 0.00 0.02 2.89 0.00 0.00 0.00 179.25 182.16 1pcp n ARG 65 N -2.81 -1.30 0.00 0.00 -4.01 -1.23 -4.95 116.66 102.36 1pcp n ARG 65 Ca 0.04 -0.25 0.00 0.00 -1.04 0.00 0.00 57.85 56.59 1pcp n ARG 65 Cb 0.51 -0.24 0.00 0.00 -3.04 0.00 0.00 32.46 29.69 1pcp n ARG 65 CO 0.00 0.00 0.00 1.63 -3.04 0.00 0.00 177.63 176.22 1pcp n LYS 66 N -1.98 0.00 -2.67 2.89 5.02 -1.26 -4.95 118.16 115.21 1pcp n LYS 66 Ca 0.02 0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.27 1pcp n LYS 66 Cb 0.08 0.00 0.06 0.00 -0.02 0.00 0.00 35.03 35.15 1pcp n LYS 66 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1pcp n ASN 67 N 0.00 -1.35 -3.42 4.39 5.15 -1.26 -4.64 115.26 114.13 1pcp n ASN 67 Ca 0.00 -1.36 -0.33 0.00 -0.60 0.00 0.00 54.58 52.28 1pcp n ASN 67 Cb 0.00 0.71 -0.03 0.00 -0.53 0.00 0.00 39.78 39.93 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 0.36 -2.17 3.44 0.00 0.00 -1.16 -4.21 105.19 101.47 1pcp n GLY 69 Ca 0.34 -1.33 -0.22 0.00 0.00 0.00 0.00 46.02 44.80 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 -2.32 2.09 -2.00 1.61 1.13 -1.26 -4.96 117.35 111.64 1pcp s TYR 70 Ca 0.00 -0.52 0.16 0.00 -1.41 0.00 0.00 57.07 55.30 1pcp s TYR 70 Cb 0.00 -1.05 0.94 0.00 -1.10 0.00 0.00 41.96 40.75 1pcp s TYR 70 CO 0.00 0.49 1.44 -0.35 -2.51 0.00 0.00 175.55 174.62 1pcp n PRO 71 N -0.59 0.75 -0.00 -3.49 -0.04 -1.26 -2.15 135.00 128.22 1pcp n PRO 71 Ca -0.06 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.48 1pcp n PRO 71 Cb 0.62 -1.33 -0.11 0.00 -0.04 0.00 0.00 33.50 32.63 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 0.41 -0.68 3.72 0.55 0.00 -1.26 -4.99 105.19 102.95 1pcp n GLY 72 Ca 0.12 -0.44 -0.30 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 -2.88 2.67 0.55 -0.61 2.07 -0.91 -5.07 121.20 117.02 1pcp s ILE 73 Ca 0.00 0.22 0.07 0.00 -1.41 0.00 0.00 60.65 59.52 1pcp s ILE 73 Cb 0.12 -2.71 0.05 0.00 0.13 0.00 0.00 42.46 40.05 1pcp s ILE 73 CO 0.70 -0.28 0.51 -0.55 -1.91 0.00 0.00 174.94 173.41 1pcp s SER 74 N -3.43 4.77 -0.05 4.50 0.15 -1.26 -4.93 113.70 113.45 1pcp s SER 74 Ca 0.63 -1.12 -0.08 0.00 0.70 0.00 0.00 55.95 56.08 1pcp s SER 74 Cb -0.18 0.37 -0.04 0.00 -1.71 0.00 0.00 66.02 64.46 1pcp s SER 74 CO 0.57 -1.17 0.37 1.55 1.20 0.00 0.00 173.24 175.76 1pcp h PRO 75 N 0.59 -0.27 0.00 5.44 0.13 -1.97 0.49 132.00 136.41 1pcp h PRO 75 Ca -0.35 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 1pcp h PRO 75 Cb 1.30 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.49 1pcp h PRO 75 CO 0.52 -0.18 0.00 0.39 -0.23 0.00 0.00 178.00 178.51 1pcp n GLU 76 N -4.45 0.05 -0.09 0.86 1.02 -1.26 -2.42 120.64 114.36 1pcp n GLU 76 Ca -0.03 0.27 -0.15 0.00 -0.02 0.00 0.00 57.16 57.22 1pcp n GLU 76 Cb 0.11 -1.59 -0.09 0.00 -0.02 0.00 0.00 31.44 29.85 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 0.12 1.62 5.19 -1.91 -2.74 116.42 118.70 1pcp h ASP 77 Ca 0.00 -0.46 0.01 0.00 -0.62 0.00 0.00 57.03 55.96 1pcp h ASP 77 Cb 0.31 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.79 1pcp h ASP 77 CO 0.00 1.18 -0.38 0.00 -3.12 0.00 0.00 179.24 176.93 1pcp h ALA 79 N -0.88 1.06 -0.11 0.00 0.00 -1.56 2.17 119.26 119.95 1pcp h ALA 79 Ca -0.01 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1pcp h ALA 79 Cb 0.56 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1pcp h ALA 79 CO -0.18 -0.13 0.00 0.00 0.00 0.00 0.00 179.25 178.93 1pcp n ALA 80 N -2.46 2.54 0.00 0.00 0.00 -0.49 -3.60 120.51 116.50 1pcp n ALA 80 Ca 0.13 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1pcp n ALA 80 Cb 0.36 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.81 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 -0.09 0.00 0.00 0.00 5.12 0.80 -4.92 116.66 117.57 1pcp n ARG 81 Ca 0.04 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.96 1pcp n ARG 81 Cb 0.17 -0.69 0.00 0.00 -1.16 0.00 0.00 32.46 30.79 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 -2.80 0.00 0.00 0.55 5.03 0.63 -5.03 115.26 113.63 1pcp n ASN 82 Ca 0.00 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.45 1pcp n ASN 82 Cb 0.50 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.26 1pcp n ASN 82 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1pcp s PHE 85 N -2.39 0.30 -0.40 0.00 2.19 -1.20 -1.82 117.98 114.66 1pcp s PHE 85 Ca 0.65 -0.86 0.01 0.00 0.33 0.00 0.00 56.93 57.07 1pcp s PHE 85 Cb -0.18 -0.89 0.13 0.00 -1.31 0.00 0.00 43.02 40.77 1pcp s PHE 85 CO 0.39 -0.83 0.20 0.45 1.83 0.00 0.00 175.22 177.26 1pcp s SER 86 N 2.11 3.69 0.00 6.13 0.15 -0.67 -4.56 113.70 120.55 1pcp s SER 86 Ca 0.09 -2.34 0.31 0.00 0.70 0.00 0.00 55.95 54.70 1pcp s SER 86 Cb -0.16 -0.94 1.75 0.00 -1.71 0.00 0.00 66.02 64.96 1pcp s SER 86 CO -0.37 -0.31 2.14 -0.90 1.20 0.00 0.00 173.24 175.00 1pcp n ASP 87 N 3.91 0.00 -0.38 5.45 5.68 -1.26 -4.02 116.55 125.92 1pcp n ASP 87 Ca 0.06 -0.73 0.31 0.00 -0.50 0.00 0.00 54.79 53.93 1pcp n ASP 87 Cb 0.37 -0.08 0.51 0.00 -1.14 0.00 0.00 41.12 40.77 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 -1.08 -0.14 -4.07 2.12 5.66 -1.26 -3.00 114.28 112.51 1pcp n THR 88 Ca 0.21 1.24 -0.32 0.00 -3.05 0.00 0.00 64.05 62.12 1pcp n THR 88 Cb 0.14 -2.03 -0.15 0.00 -1.55 0.00 0.00 70.33 66.74 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 -4.67 2.17 0.29 1.09 1.09 -1.26 -5.10 121.20 114.81 1pcp s ILE 89 Ca -0.05 -1.68 -0.29 0.00 -1.10 0.00 0.00 60.65 57.54 1pcp s ILE 89 Cb 0.21 -2.30 -0.09 0.00 -1.06 0.00 0.00 42.46 39.22 1pcp s ILE 89 CO 0.60 -0.06 1.08 -2.16 -0.10 0.00 0.00 174.94 174.30 1pcp s PRO 90 N 1.09 4.62 0.00 2.79 0.04 -1.16 -3.66 135.00 138.72 1pcp s PRO 90 Ca -0.08 1.75 0.00 0.00 0.04 0.00 0.00 61.00 62.71 1pcp s PRO 90 Cb -0.20 -3.14 0.00 0.00 0.04 0.00 0.00 34.50 31.20 1pcp s PRO 90 CO -0.05 0.21 0.00 0.39 0.04 0.00 0.00 177.00 177.59 1pcp n GLU 91 N 1.11 0.00 -4.09 4.56 -0.58 -1.26 -5.09 120.64 115.29 1pcp n GLU 91 Ca -0.01 0.05 -0.10 0.00 -0.42 0.00 0.00 57.16 56.68 1pcp n GLU 91 Cb 0.45 -0.40 -0.09 0.00 -0.57 0.00 0.00 31.44 30.83 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 0.09 -1.01 2.62 -7.23 -1.24 -5.08 120.40 106.55 1pcp s VAL 92 Ca 0.00 -1.76 -0.23 0.00 -1.81 0.00 0.00 61.98 58.18 1pcp s VAL 92 Cb 0.00 -2.00 0.00 0.00 0.56 0.00 0.00 36.38 34.94 1pcp s VAL 92 CO 0.00 -0.40 1.72 -2.16 -0.31 0.00 0.00 175.10 173.95 1pcp s PRO 93 N -4.03 3.11 0.31 4.82 0.04 -1.26 -4.78 135.00 133.21 1pcp s PRO 93 Ca 0.23 -0.86 0.05 0.00 0.04 0.00 0.00 61.00 60.45 1pcp s PRO 93 Cb 0.06 -5.25 0.70 0.00 0.04 0.00 0.00 34.50 30.05 1pcp s PRO 93 CO 0.02 -2.84 1.83 -1.49 0.04 0.00 0.00 177.00 174.56 1pcp h TRP 94 N 10.20 1.02 -2.22 0.56 6.55 -1.89 -3.18 115.95 126.99 1pcp h TRP 94 Ca 0.18 0.03 -0.69 0.00 0.95 0.00 0.00 58.89 59.36 1pcp h TRP 94 Cb 0.99 -0.32 -0.17 0.00 -0.86 0.00 0.00 29.16 28.80 1pcp h TRP 94 CO 1.26 0.34 1.02 0.00 -1.05 0.00 0.00 178.44 180.01 1pcp n PHE 96 N 6.59 -1.19 -3.88 0.00 -1.74 -0.76 0.20 117.46 116.68 1pcp n PHE 96 Ca 0.28 0.00 -0.37 0.00 -0.56 0.00 0.00 57.45 56.80 1pcp n PHE 96 Cb 0.48 0.00 -0.06 0.00 1.52 0.00 0.00 39.48 41.42 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 -0.20 3.59 1.06 2.97 0.08 -1.26 -1.69 117.98 122.53 1pcp s PHE 97 Ca 0.00 0.52 -0.17 0.00 0.12 0.00 0.00 56.93 57.40 1pcp s PHE 97 Cb 0.00 -1.93 0.23 0.00 -0.57 0.00 0.00 43.02 40.75 1pcp s PHE 97 CO 0.00 0.73 1.21 -1.25 -0.10 0.00 0.00 175.22 175.81 1pcp s PRO 98 N -1.08 -0.10 1.75 0.24 0.04 -1.26 -4.87 135.00 129.72 1pcp s PRO 98 Ca 0.16 -0.18 0.00 0.00 0.04 0.00 0.00 61.00 61.02 1pcp s PRO 98 Cb -0.12 -1.74 0.00 0.00 0.04 0.00 0.00 34.50 32.68 1pcp s PRO 98 CO 0.05 -2.95 0.00 -1.33 0.04 0.00 0.00 177.00 172.81 1pcp n MET 99 N -4.19 0.00 -0.91 4.56 2.81 -1.26 -5.07 117.12 113.06 1pcp n MET 99 Ca 0.13 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.02 1pcp n MET 99 Cb 0.59 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.10 1pcp n MET 99 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1pcp n SER 100 N -0.63 -2.53 0.00 7.83 7.64 -1.26 -4.99 113.62 119.68 1pcp n SER 100 Ca 0.00 0.12 0.00 0.00 1.01 0.00 0.00 58.87 60.00 1pcp n SER 100 Cb 0.00 -1.30 0.00 0.00 -1.01 0.00 0.00 64.21 61.90 1pcp n SER 100 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 1pcp n VAL 101 N 0.13 0.00 0.00 0.44 0.24 -1.26 -4.96 118.33 112.93 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 -1.84 -2.14 0.00 0.00 176.83 172.85 1pcp n GLU 102 N 0.00 0.00 -0.54 7.34 0.00 -1.26 -1.83 120.64 124.35 1pcp n GLU 102 Ca 0.00 0.00 0.43 0.00 0.00 0.00 0.00 57.16 57.59 1pcp n GLU 102 Cb 0.00 0.00 0.66 0.00 0.00 0.00 0.00 31.44 32.10 1pcp n GLU 102 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 1pcp n ASP 103 N 0.00 0.00 -4.78 -1.84 -0.08 -1.26 -4.30 116.55 104.30 1pcp n ASP 103 Ca 0.00 0.84 -0.41 0.00 -1.51 0.00 0.00 54.79 53.71 1pcp n ASP 103 Cb 0.00 -0.39 0.00 0.00 2.34 0.00 0.00 41.12 43.07 1pcp n ASP 103 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1pcp n HIS 105 N 0.32 -0.78 -0.43 0.00 1.44 -0.99 -4.87 115.22 109.92 1pcp n HIS 105 Ca 0.02 -0.89 0.00 0.00 -2.01 0.00 0.00 57.72 54.84 1pcp n HIS 105 Cb 0.40 0.42 0.00 0.00 0.12 0.00 0.00 29.99 30.93 1pcp n HIS 105 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19