#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 -2.23 -1.43 3.44 4.81 -0.84 -5.04 118.16 116.87 1pcp n LYS 2 Ca 0.00 1.96 -0.29 0.00 -0.87 0.00 0.00 58.31 59.11 1pcp n LYS 2 Cb 0.00 -3.56 0.22 0.00 0.02 0.00 0.00 35.03 31.71 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 0.55 -2.16 0.00 1.64 -0.04 -1.26 -5.06 135.00 128.67 1pcp n PRO 3 Ca -0.06 -1.84 0.00 0.00 -0.04 0.00 0.00 63.50 61.56 1pcp n PRO 3 Cb 0.09 -1.45 0.00 0.00 -0.04 0.00 0.00 33.50 32.10 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 -4.32 0.00 0.00 0.55 0.00 -1.26 -5.03 120.51 110.46 1pcp n ALA 4 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.24 1pcp n ALA 4 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.01 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 0.22 0.23 0.00 0.00 -1.26 -4.82 120.51 111.88 1pcp n ALA 5 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 1pcp n ALA 5 Cb 0.00 0.00 0.62 0.00 0.00 0.00 0.00 19.45 20.07 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 -2.44 3.83 0.00 0.00 1.85 -1.26 -3.85 116.66 114.79 1pcp n ARG 7 Ca -0.02 -3.09 0.00 0.00 -1.00 0.00 0.00 57.85 53.75 1pcp n ARG 7 Cb 0.27 -2.16 0.00 0.00 -1.05 0.00 0.00 32.46 29.52 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 -1.48 0.00 0.00 0.00 3.41 0.63 -4.18 113.62 112.00 1pcp n SER 9 Ca 0.00 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.73 1pcp n SER 9 Cb 0.00 0.00 0.72 0.00 -0.26 0.00 0.00 64.21 64.67 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 0.71 0.00 4.33 0.00 -1.26 -4.79 116.66 115.65 1pcp n ARG 10 Ca 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 57.85 57.86 1pcp n ARG 10 Cb 0.00 -1.50 0.00 0.00 0.00 0.00 0.00 32.46 30.96 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 -1.05 0.00 -4.24 -0.14 6.02 -1.25 -4.06 117.38 112.66 1pcp n GLN 11 Ca 0.18 0.00 -0.19 0.00 -0.01 0.00 0.00 57.00 56.98 1pcp n GLN 11 Cb 0.10 0.00 -0.11 0.00 1.02 0.00 0.00 30.24 31.25 1pcp n GLN 11 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1pcp s ASP 12 N 0.00 2.05 -1.17 1.08 -1.08 -1.26 -4.97 116.67 111.31 1pcp s ASP 12 Ca 0.00 -0.76 -0.19 0.00 -0.52 0.00 0.00 52.55 51.08 1pcp s ASP 12 Cb 0.00 -0.08 -0.04 0.00 -1.46 0.00 0.00 42.92 41.34 1pcp s ASP 12 CO 0.00 -0.10 1.96 -0.81 0.52 0.00 0.00 175.17 176.74 1pcp n PRO 13 N 0.75 2.27 -0.82 4.34 -0.04 -1.26 -4.20 135.00 136.05 1pcp n PRO 13 Ca -0.17 -2.53 0.00 0.00 -0.04 0.00 0.00 63.50 60.76 1pcp n PRO 13 Cb 0.56 -3.34 0.00 0.00 -0.04 0.00 0.00 33.50 30.68 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 7.42 0.00 0.00 0.54 4.81 -1.26 -5.04 118.16 124.63 1pcp n LYS 14 Ca 0.49 0.27 0.00 0.00 -0.87 0.00 0.00 58.31 58.20 1pcp n LYS 14 Cb 0.43 -0.54 0.00 0.00 0.02 0.00 0.00 35.03 34.93 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 0.45 0.00 3.14 4.13 -1.26 -5.11 115.26 116.61 1pcp n ASN 15 Ca 0.00 -0.98 0.00 0.00 1.68 0.00 0.00 54.58 55.28 1pcp n ASN 15 Cb 0.00 0.01 0.00 0.00 -1.54 0.00 0.00 39.78 38.25 1pcp n ASN 15 CO 0.00 0.00 0.00 -2.11 0.28 0.00 0.00 177.26 175.43 1pcp n ARG 16 N -0.01 0.00 -0.31 3.52 1.85 -1.26 -4.97 116.66 115.48 1pcp n ARG 16 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 1pcp n ARG 16 Cb 0.13 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.54 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 0.00 -1.46 -4.36 8.89 0.31 -1.26 -4.85 118.33 115.59 1pcp n VAL 17 Ca 0.00 0.42 -0.20 0.00 -0.01 0.00 0.00 64.34 64.55 1pcp n VAL 17 Cb 0.00 -0.60 -0.13 0.00 -0.91 0.00 0.00 33.84 32.19 1pcp n VAL 17 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1pcp s ASN 18 N -2.65 1.66 -0.34 4.52 4.22 -1.26 -4.48 114.94 116.62 1pcp s ASN 18 Ca 0.00 -0.45 0.16 0.00 -2.14 0.00 0.00 52.86 50.43 1pcp s ASN 18 Cb 0.00 -0.11 0.45 0.00 1.28 0.00 0.00 41.25 42.87 1pcp s ASN 18 CO 0.00 0.04 0.96 0.00 -2.04 0.00 0.00 177.10 176.06 1pcp n GLY 20 N -0.10 3.16 3.36 0.00 0.00 -1.26 -4.56 105.19 105.79 1pcp n GLY 20 Ca 0.13 -0.08 -0.10 0.00 0.00 0.00 0.00 46.02 45.97 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 0.29 0.13 -0.42 1.61 -0.12 -1.26 -5.11 117.98 113.11 1pcp s PHE 21 Ca 0.00 -0.50 -0.29 0.00 -0.05 0.00 0.00 56.93 56.10 1pcp s PHE 21 Cb 0.00 0.11 0.01 0.00 -0.63 0.00 0.00 43.02 42.51 1pcp s PHE 21 CO 0.00 -0.74 1.42 -1.25 -0.05 0.00 0.00 175.22 174.60 1pcp s PRO 22 N -3.90 3.56 0.00 1.99 0.04 -1.26 -2.51 135.00 132.92 1pcp s PRO 22 Ca 0.11 0.92 0.00 0.00 0.04 0.00 0.00 61.00 62.07 1pcp s PRO 22 Cb 0.02 -4.03 0.00 0.00 0.04 0.00 0.00 34.50 30.53 1pcp s PRO 22 CO -0.04 -1.59 0.00 0.41 0.04 0.00 0.00 177.00 175.82 1pcp n GLY 23 N 5.10 1.26 3.31 0.56 0.00 -1.26 -5.12 105.19 109.03 1pcp n GLY 23 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.00 1.36 0.05 -0.61 2.07 -1.04 -5.02 121.20 116.01 1pcp s ILE 24 Ca 0.00 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.24 1pcp s ILE 24 Cb 0.00 -2.01 0.00 0.00 0.13 0.00 0.00 42.46 40.58 1pcp s ILE 24 CO 0.00 0.00 0.00 0.35 -1.91 0.00 0.00 174.94 173.38 1pcp n THR 25 N -5.60 0.52 0.00 4.00 -2.24 -1.26 -5.10 114.28 104.59 1pcp n THR 25 Ca 0.10 0.17 0.00 0.00 -2.27 0.00 0.00 64.05 62.05 1pcp n THR 25 Cb 0.59 -1.47 0.00 0.00 -2.10 0.00 0.00 70.33 67.34 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 -3.20 0.00 -0.25 3.42 3.41 -1.26 -4.97 113.62 110.76 1pcp n SER 26 Ca 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 58.87 58.54 1pcp n SER 26 Cb 0.26 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.19 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 -1.49 -0.26 4.04 3.32 -1.99 2.18 116.42 122.22 1pcp h ASP 27 Ca 0.00 0.26 0.07 0.00 0.02 0.00 0.00 57.03 57.39 1pcp h ASP 27 Cb 0.00 0.70 -0.01 0.00 0.22 0.00 0.00 39.33 40.24 1pcp h ASP 27 CO 0.00 -0.32 0.25 1.56 -1.72 0.00 0.00 179.24 179.02 1pcp h GLN 28 N -0.16 0.00 0.00 3.56 1.08 -1.95 1.72 115.11 119.36 1pcp h GLN 28 Ca 0.21 0.00 -0.24 0.00 -1.45 0.00 0.00 58.65 57.17 1pcp h GLN 28 Cb 0.56 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.95 1pcp h GLN 28 CO -0.76 0.00 -1.26 0.00 -0.95 0.00 0.00 178.83 175.86 1pcp n PHE 30 N -3.24 0.09 0.80 0.00 3.72 0.49 -2.45 117.46 116.87 1pcp n PHE 30 Ca -0.06 0.03 0.08 0.00 -0.05 0.00 0.00 57.45 57.45 1pcp n PHE 30 Cb 0.98 -0.34 -0.06 0.00 -0.94 0.00 0.00 39.48 39.12 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 -1.60 0.00 -0.11 4.37 -1.04 0.53 -1.99 114.28 114.45 1pcp n THR 31 Ca 0.05 -0.18 0.06 0.00 -2.04 0.00 0.00 64.05 61.94 1pcp n THR 31 Cb 0.35 1.08 0.27 0.00 -1.82 0.00 0.00 70.33 70.21 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 -0.90 3.82 -0.24 8.00 2.88 -0.89 -3.95 113.62 122.34 1pcp n SER 32 Ca 0.05 -2.42 -0.03 0.00 -1.33 0.00 0.00 58.87 55.14 1pcp n SER 32 Cb 0.31 -0.53 -0.01 0.00 -0.75 0.00 0.00 64.21 63.22 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 0.78 0.61 3.68 0.46 0.00 -1.26 -4.99 105.19 104.48 1pcp n GLY 33 Ca 0.19 -0.41 -0.25 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.23 -0.33 0.00 0.00 2.19 -1.26 -1.40 117.98 114.96 1pcp s PHE 36 Ca 0.42 0.73 0.00 0.00 0.33 0.00 0.00 56.93 58.41 1pcp s PHE 36 Cb -0.08 0.12 0.00 0.00 -1.31 0.00 0.00 43.02 41.76 1pcp s PHE 36 CO 0.28 -0.26 0.00 -3.47 1.83 0.00 0.00 175.22 173.60 1pcp n ASP 37 N 2.34 0.00 0.00 6.13 2.03 0.65 -4.66 116.55 123.03 1pcp n ASP 37 Ca -0.16 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.15 1pcp n ASP 37 Cb 0.57 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.97 1pcp n ASP 37 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 1pcp n SER 38 N -0.60 0.00 0.25 1.67 3.41 -1.26 -4.77 113.62 112.32 1pcp n SER 38 Ca 0.00 0.00 0.06 0.00 -0.26 0.00 0.00 58.87 58.67 1pcp n SER 38 Cb 0.00 0.00 0.30 0.00 -0.26 0.00 0.00 64.21 64.25 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 -3.87 4.33 4.20 -1.95 -3.10 115.11 114.72 1pcp h GLN 39 Ca 0.00 0.00 -0.70 0.00 0.06 0.00 0.00 58.65 58.01 1pcp h GLN 39 Cb 0.00 0.00 -0.34 0.00 0.30 0.00 0.00 27.48 27.44 1pcp h GLN 39 CO 0.00 0.00 -0.38 0.08 -0.67 0.00 0.00 178.83 177.86 1pcp s VAL 40 N -3.61 3.79 -2.00 -0.54 1.01 -1.26 -4.90 120.40 112.89 1pcp s VAL 40 Ca -0.01 -2.62 0.11 0.00 0.00 0.00 0.00 61.98 59.46 1pcp s VAL 40 Cb 0.03 -3.49 0.33 0.00 0.00 0.00 0.00 36.38 33.25 1pcp s VAL 40 CO 0.10 -0.84 1.25 -0.81 0.00 0.00 0.00 175.10 174.80 1pcp n PRO 41 N 3.89 0.75 -0.03 2.72 -0.04 -1.17 -2.06 135.00 139.05 1pcp n PRO 41 Ca 0.05 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.58 1pcp n PRO 41 Cb 0.39 -1.24 0.08 0.00 -0.04 0.00 0.00 33.50 32.70 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 0.37 0.46 3.38 0.55 0.00 -1.26 -5.00 105.19 103.68 1pcp n GLY 42 Ca 0.09 -0.46 -0.17 0.00 0.00 0.00 0.00 46.02 45.47 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 -1.27 0.00 -0.13 1.61 -7.23 -0.88 -5.11 120.40 107.40 1pcp s VAL 43 Ca 0.20 -1.81 -0.29 0.00 -1.81 0.00 0.00 61.98 58.26 1pcp s VAL 43 Cb 0.14 -2.58 -0.02 0.00 0.56 0.00 0.00 36.38 34.48 1pcp s VAL 43 CO 0.20 0.00 1.25 -2.16 -0.31 0.00 0.00 175.10 174.08 1pcp s PRO 44 N -3.24 4.27 0.02 4.82 0.04 -1.26 -4.88 135.00 134.77 1pcp s PRO 44 Ca 0.36 1.68 -0.25 0.00 0.04 0.00 0.00 61.00 62.83 1pcp s PRO 44 Cb 0.01 -3.70 -0.18 0.00 0.04 0.00 0.00 34.50 30.67 1pcp s PRO 44 CO 0.24 -0.63 1.39 -1.49 0.04 0.00 0.00 177.00 176.55 1pcp h TRP 45 N 7.99 -0.17 -3.39 0.56 6.55 -1.91 -3.41 115.95 122.17 1pcp h TRP 45 Ca -0.29 -0.00 -0.60 0.00 0.95 0.00 0.00 58.89 58.95 1pcp h TRP 45 Cb 1.12 0.06 -0.09 0.00 -0.86 0.00 0.00 29.16 29.39 1pcp h TRP 45 CO 0.78 0.14 0.24 0.00 -1.05 0.00 0.00 178.44 178.55 1pcp n PHE 47 N 5.43 -0.44 -3.12 0.00 1.16 -0.50 -2.36 117.46 117.64 1pcp n PHE 47 Ca 0.01 0.00 -0.18 0.00 -1.87 0.00 0.00 57.45 55.41 1pcp n PHE 47 Cb 0.49 0.00 0.01 0.00 -1.61 0.00 0.00 39.48 38.37 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 -1.26 2.90 0.59 3.97 0.00 -1.26 -0.40 119.74 124.27 1pcp s LYS 48 Ca 0.00 -1.14 -0.16 0.00 0.00 0.00 0.00 55.97 54.68 1pcp s LYS 48 Cb 0.00 -2.76 -0.04 0.00 0.00 0.00 0.00 37.83 35.03 1pcp s LYS 48 CO 0.00 -0.20 1.05 -1.25 0.00 0.00 0.00 175.35 174.95 1pcp s PRO 49 N -4.33 3.38 -0.01 1.78 0.04 -1.26 -4.63 135.00 129.97 1pcp s PRO 49 Ca 0.52 1.16 -0.17 0.00 0.04 0.00 0.00 61.00 62.56 1pcp s PRO 49 Cb -0.10 -2.04 -0.33 0.00 0.04 0.00 0.00 34.50 32.06 1pcp s PRO 49 CO 0.33 -0.75 0.89 1.37 0.04 0.00 0.00 177.00 178.88 1pcp h LEU 50 N 0.46 0.68 0.00 -3.56 8.10 -1.90 -3.47 115.31 115.63 1pcp h LEU 50 Ca -0.47 -0.93 0.00 0.00 0.11 0.00 0.00 57.88 56.60 1pcp h LEU 50 Cb 1.22 -0.22 0.00 0.00 -0.44 0.00 0.00 40.66 41.21 1pcp h LEU 50 CO 0.58 1.63 0.00 -0.81 -4.11 0.00 0.00 178.44 175.73 1pcp n PRO 51 N -3.83 0.44 -3.85 0.17 -0.04 -1.26 -5.07 135.00 121.56 1pcp n PRO 51 Ca -0.18 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.16 1pcp n PRO 51 Cb 1.01 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 34.36 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 -0.36 0.34 0.55 0.00 -1.26 -5.11 121.76 112.42 1pcp s ALA 52 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 51.96 52.10 1pcp s ALA 52 Cb 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 23.12 23.05 1pcp s ALA 52 CO 0.00 -0.15 0.00 1.04 0.00 0.00 0.00 175.76 176.65 1pcp n GLN 53 N 2.17 -2.06 -0.59 0.00 1.13 -1.26 -4.01 117.38 112.76 1pcp n GLN 53 Ca -0.18 1.57 -0.17 0.00 -1.94 0.00 0.00 57.00 56.28 1pcp n GLN 53 Cb 0.57 -2.44 -0.02 0.00 0.11 0.00 0.00 30.24 28.46 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 -3.64 1.66 0.00 -1.09 1.02 -1.26 -4.51 120.64 112.81 1pcp n GLU 54 Ca -0.03 -1.23 0.00 0.00 -0.02 0.00 0.00 57.16 55.88 1pcp n GLU 54 Cb 0.44 -2.33 0.00 0.00 -0.02 0.00 0.00 31.44 29.53 1pcp n GLU 54 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1pcp n SER 55 N 4.24 0.00 -0.59 1.62 3.41 -1.26 -4.97 113.62 116.08 1pcp n SER 55 Ca 0.35 0.00 -0.05 0.00 -0.26 0.00 0.00 58.87 58.91 1pcp n SER 55 Cb 0.13 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.07 1pcp n SER 55 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1pcp n GLU 56 N 0.00 -0.41 0.00 4.33 1.02 -1.26 -4.78 120.64 119.53 1pcp n GLU 56 Ca 0.00 0.25 0.00 0.00 -0.02 0.00 0.00 57.16 57.39 1pcp n GLU 56 Cb 0.00 -4.03 0.00 0.00 -0.02 0.00 0.00 31.44 27.39 1pcp n GLU 56 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1pcp n GLU 57 N -1.49 0.00 -0.07 3.49 1.02 -1.26 -4.85 120.64 117.48 1pcp n GLU 57 Ca -0.06 0.00 0.04 0.00 -0.02 0.00 0.00 57.16 57.12 1pcp n GLU 57 Cb 0.55 -0.12 0.15 0.00 -0.02 0.00 0.00 31.44 31.99 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 -1.81 4.29 -0.28 0.00 1.01 -1.26 -4.94 120.40 117.41 1pcp s VAL 59 Ca 0.14 1.52 -0.21 0.00 0.00 0.00 0.00 61.98 63.43 1pcp s VAL 59 Cb 0.07 -4.11 0.08 0.00 0.00 0.00 0.00 36.38 32.43 1pcp s VAL 59 CO 0.10 -0.28 0.77 -0.04 0.00 0.00 0.00 175.10 175.65 1pcp s MET 60 N 3.71 0.72 0.73 2.72 -1.94 -1.26 -4.93 119.30 119.05 1pcp s MET 60 Ca 0.54 1.01 -0.12 0.00 -1.71 0.00 0.00 55.69 55.41 1pcp s MET 60 Cb -0.19 0.28 0.03 0.00 2.01 0.00 0.00 34.83 36.96 1pcp s MET 60 CO 0.17 -0.11 1.12 -0.65 -0.01 0.00 0.00 175.02 175.53 1pcp s GLN 61 N 0.85 2.64 -0.98 2.03 -0.21 -1.26 -4.77 119.66 117.97 1pcp s GLN 61 Ca -0.04 0.37 -0.25 0.00 0.02 0.00 0.00 55.36 55.46 1pcp s GLN 61 Cb -0.05 -2.01 -0.23 0.00 1.00 0.00 0.00 33.01 31.73 1pcp s GLN 61 CO -0.08 -1.17 2.02 1.55 -2.12 0.00 0.00 175.29 175.49 1pcp n VAL 62 N -3.08 0.00 0.00 1.09 3.14 -1.26 0.43 118.33 118.65 1pcp n VAL 62 Ca 0.07 -0.04 0.00 0.00 -2.96 0.00 0.00 64.34 61.42 1pcp n VAL 62 Cb 0.58 -1.85 0.00 0.00 -1.06 0.00 0.00 33.84 31.51 1pcp n VAL 62 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 1pcp n SER 63 N 18.69 0.00 0.11 6.55 7.64 -1.26 -4.95 113.62 140.40 1pcp n SER 63 Ca 0.38 0.00 0.12 0.00 1.01 0.00 0.00 58.87 60.38 1pcp n SER 63 Cb 0.47 0.00 0.19 0.00 -1.01 0.00 0.00 64.21 63.86 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 0.75 -3.00 -0.43 0.00 -0.34 -3.46 119.26 112.78 1pcp h ALA 64 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1pcp h ALA 64 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1pcp h ALA 64 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.79 1pcp n ARG 65 N -2.47 1.47 -1.01 0.00 5.12 -1.22 -4.92 116.66 113.62 1pcp n ARG 65 Ca 0.03 0.00 -0.04 0.00 -1.93 0.00 0.00 57.85 55.92 1pcp n ARG 65 Cb 0.48 0.00 -0.02 0.00 -1.16 0.00 0.00 32.46 31.76 1pcp n ARG 65 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87 1pcp n LYS 66 N 0.00 0.12 -1.97 5.56 3.00 -1.26 -4.83 118.16 118.79 1pcp n LYS 66 Ca 0.00 -0.59 0.00 0.00 -0.00 0.00 0.00 58.31 57.72 1pcp n LYS 66 Cb 0.00 0.46 0.00 0.00 0.00 0.00 0.00 35.03 35.49 1pcp n LYS 66 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1pcp n ASN 67 N -0.14 -4.10 -0.52 3.14 3.02 -1.26 -4.64 115.26 110.75 1pcp n ASN 67 Ca -0.15 0.36 0.00 0.00 -0.03 0.00 0.00 54.58 54.76 1pcp n ASN 67 Cb 0.54 -0.91 0.00 0.00 -0.61 0.00 0.00 39.78 38.80 1pcp n ASN 67 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1pcp n GLY 69 N 4.89 -0.31 3.40 0.00 0.00 -1.22 -4.57 105.19 107.38 1pcp n GLY 69 Ca 0.00 -0.27 -0.20 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.34 1.83 -1.20 1.61 -0.85 -1.26 -5.02 117.35 112.12 1pcp s TYR 70 Ca 0.00 -0.81 -0.20 0.00 -0.52 0.00 0.00 57.07 55.55 1pcp s TYR 70 Cb 0.00 -1.07 -0.03 0.00 0.38 0.00 0.00 41.96 41.24 1pcp s TYR 70 CO 0.00 0.14 1.91 -0.35 -1.52 0.00 0.00 175.55 175.73 1pcp n PRO 71 N -0.54 2.33 0.00 -3.49 -0.04 -1.26 -2.45 135.00 129.54 1pcp n PRO 71 Ca -0.05 -2.66 0.00 0.00 -0.04 0.00 0.00 63.50 60.75 1pcp n PRO 71 Cb 0.64 -3.44 0.00 0.00 -0.04 0.00 0.00 33.50 30.66 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 5.17 0.26 3.50 0.55 0.00 -1.26 -5.15 105.19 108.25 1pcp n GLY 72 Ca 0.48 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.20 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 -4.44 -0.61 3.06 -1.03 -5.05 119.36 111.29 1pcp n ILE 73 Ca 0.00 -0.26 -0.22 0.00 -2.50 0.00 0.00 62.75 59.77 1pcp n ILE 73 Cb 0.00 -0.89 -0.06 0.00 0.54 0.00 0.00 39.64 39.23 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 -3.79 1.32 -4.80 9.51 2.88 -1.26 -5.00 113.62 112.49 1pcp n SER 74 Ca 0.06 -2.87 -0.30 0.00 -1.33 0.00 0.00 58.87 54.43 1pcp n SER 74 Cb 0.54 0.85 0.09 0.00 -0.75 0.00 0.00 64.21 64.94 1pcp n SER 74 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1pcp s PRO 75 N -3.35 2.08 0.00 -1.46 0.04 -1.26 -1.55 135.00 129.50 1pcp s PRO 75 Ca 0.17 0.64 0.00 0.00 0.04 0.00 0.00 61.00 61.85 1pcp s PRO 75 Cb 0.01 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.63 1pcp s PRO 75 CO 0.12 -1.63 0.00 0.39 0.04 0.00 0.00 177.00 175.92 1pcp n GLU 76 N -3.44 0.00 0.05 4.56 1.02 -1.26 -4.33 120.64 117.24 1pcp n GLU 76 Ca 0.07 0.00 -0.07 0.00 -0.02 0.00 0.00 57.16 57.14 1pcp n GLU 76 Cb 0.56 -0.15 -0.05 0.00 -0.02 0.00 0.00 31.44 31.79 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 -0.19 -0.79 1.62 5.19 -1.89 0.23 116.42 120.60 1pcp h ASP 77 Ca 0.00 -0.20 0.14 0.00 -0.62 0.00 0.00 57.03 56.35 1pcp h ASP 77 Cb 0.00 0.05 -0.14 0.00 0.18 0.00 0.00 39.33 39.41 1pcp h ASP 77 CO 0.00 0.36 -0.29 0.00 -3.12 0.00 0.00 179.24 176.19 1pcp h ALA 79 N 1.45 0.65 -0.37 0.00 0.00 -1.54 1.94 119.26 121.40 1pcp h ALA 79 Ca 0.33 -0.31 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 1pcp h ALA 79 Cb 0.59 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 18.15 1pcp h ALA 79 CO -0.83 0.50 0.12 0.00 0.00 0.00 0.00 179.25 179.05 1pcp n ALA 80 N -2.46 3.52 0.00 0.00 0.00 0.23 -3.91 120.51 117.89 1pcp n ALA 80 Ca 0.00 -1.15 0.00 0.00 0.00 0.00 0.00 53.44 52.30 1pcp n ALA 80 Cb 0.35 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.68 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 0.08 0.00 0.00 0.00 5.12 1.52 -4.85 116.66 118.53 1pcp n ARG 81 Ca 0.20 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.12 1pcp n ARG 81 Cb 0.86 -0.41 0.00 0.00 -1.16 0.00 0.00 32.46 31.75 1pcp n ARG 81 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 1pcp n ASN 82 N -1.95 0.00 0.00 0.55 0.23 0.65 -5.01 115.26 109.73 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 0.08 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.78 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 -3.18 -0.12 -0.40 0.00 2.19 -1.23 -1.78 117.98 113.47 1pcp s PHE 85 Ca 0.64 -0.04 0.02 0.00 0.33 0.00 0.00 56.93 57.87 1pcp s PHE 85 Cb -0.16 -0.50 0.15 0.00 -1.31 0.00 0.00 43.02 41.20 1pcp s PHE 85 CO 0.55 -0.63 0.26 0.45 1.83 0.00 0.00 175.22 177.68 1pcp s SER 86 N 2.26 2.80 0.00 6.13 0.15 0.72 -4.93 113.70 120.83 1pcp s SER 86 Ca 0.06 -2.54 0.27 0.00 0.70 0.00 0.00 55.95 54.44 1pcp s SER 86 Cb -0.16 -0.57 1.51 0.00 -1.71 0.00 0.00 66.02 65.09 1pcp s SER 86 CO -0.15 -0.26 1.95 -0.90 1.20 0.00 0.00 173.24 175.08 1pcp n ASP 87 N 3.59 0.00 -0.39 5.45 5.75 -1.26 -3.94 116.55 125.74 1pcp n ASP 87 Ca 0.16 -0.51 0.32 0.00 -0.01 0.00 0.00 54.79 54.75 1pcp n ASP 87 Cb 0.39 -0.13 0.52 0.00 -1.03 0.00 0.00 41.12 40.87 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 -1.13 -0.12 -4.97 2.12 5.66 -1.26 -3.67 114.28 110.91 1pcp n THR 88 Ca 0.17 1.22 -0.31 0.00 -3.05 0.00 0.00 64.05 62.08 1pcp n THR 88 Cb 0.15 -2.01 -0.17 0.00 -1.55 0.00 0.00 70.33 66.75 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 -4.64 1.89 0.62 1.09 1.01 -1.25 -5.12 121.20 114.79 1pcp s ILE 89 Ca -0.05 -0.91 -0.14 0.00 0.00 0.00 0.00 60.65 59.55 1pcp s ILE 89 Cb 0.21 -1.65 -0.03 0.00 0.01 0.00 0.00 42.46 41.00 1pcp s ILE 89 CO 0.60 0.52 1.05 -2.16 0.00 0.00 0.00 174.94 174.96 1pcp s PRO 90 N 0.53 3.25 0.00 2.79 0.04 -1.24 -4.20 135.00 136.17 1pcp s PRO 90 Ca -0.15 1.11 0.00 0.00 0.04 0.00 0.00 61.00 62.00 1pcp s PRO 90 Cb -0.17 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.34 1pcp s PRO 90 CO 0.05 -0.86 0.00 -1.91 0.04 0.00 0.00 177.00 174.33 1pcp n GLU 91 N -2.33 0.00 -0.96 4.56 2.13 -1.26 -4.95 120.64 117.83 1pcp n GLU 91 Ca 0.08 0.00 -0.36 0.00 0.66 0.00 0.00 57.16 57.54 1pcp n GLU 91 Cb 0.53 0.00 0.03 0.00 0.27 0.00 0.00 31.44 32.28 1pcp n GLU 91 CO 0.00 0.00 0.00 1.33 -0.41 0.00 0.00 177.13 178.05 1pcp n VAL 92 N 0.00 0.00 -2.32 6.31 0.24 -1.26 -4.71 118.33 116.59 1pcp n VAL 92 Ca 0.00 -0.26 -0.41 0.00 -2.04 0.00 0.00 64.34 61.63 1pcp n VAL 92 Cb 0.00 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.34 1pcp n VAL 92 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1pcp s PRO 93 N -1.92 3.24 0.18 7.34 0.04 -1.26 -4.86 135.00 137.77 1pcp s PRO 93 Ca 0.37 0.56 -0.12 0.00 0.04 0.00 0.00 61.00 61.85 1pcp s PRO 93 Cb -0.04 -4.15 0.10 0.00 0.04 0.00 0.00 34.50 30.44 1pcp s PRO 93 CO 0.72 -2.00 1.77 -1.49 0.04 0.00 0.00 177.00 176.04 1pcp h TRP 94 N 11.58 0.91 -3.17 0.56 6.55 -1.84 -3.36 115.95 127.17 1pcp h TRP 94 Ca -0.27 -0.04 -0.69 0.00 0.95 0.00 0.00 58.89 58.84 1pcp h TRP 94 Cb 1.11 -0.28 -0.18 0.00 -0.86 0.00 0.00 29.16 28.94 1pcp h TRP 94 CO 1.03 0.68 0.08 0.00 -1.05 0.00 0.00 178.44 179.18 1pcp n PHE 96 N 6.25 0.04 -4.02 0.00 -1.74 -0.73 0.25 117.46 117.52 1pcp n PHE 96 Ca -0.07 -0.13 -0.34 0.00 -0.56 0.00 0.00 57.45 56.36 1pcp n PHE 96 Cb 0.45 -0.01 -0.06 0.00 1.52 0.00 0.00 39.48 41.37 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 -1.24 3.41 -0.29 2.97 0.40 -1.26 0.53 117.98 122.50 1pcp s PHE 97 Ca 0.00 0.29 -0.29 0.00 -0.60 0.00 0.00 56.93 56.34 1pcp s PHE 97 Cb 0.00 -1.79 -0.00 0.00 0.51 0.00 0.00 43.02 41.73 1pcp s PHE 97 CO 0.00 0.60 1.34 -1.25 0.70 0.00 0.00 175.22 176.62 1pcp s PRO 98 N -1.70 3.91 -0.48 0.24 0.04 -1.26 -4.78 135.00 130.96 1pcp s PRO 98 Ca 0.23 1.31 0.03 0.00 0.04 0.00 0.00 61.00 62.62 1pcp s PRO 98 Cb -0.12 -3.90 0.14 0.00 0.04 0.00 0.00 34.50 30.66 1pcp s PRO 98 CO 0.14 -1.14 0.28 1.41 0.04 0.00 0.00 177.00 177.74 1pcp s MET 99 N 4.22 1.51 0.10 4.56 1.75 -1.26 -5.08 119.30 125.10 1pcp s MET 99 Ca 0.58 -2.28 -0.36 0.00 -1.25 0.00 0.00 55.69 52.39 1pcp s MET 99 Cb -0.18 -2.54 -0.18 0.00 2.84 0.00 0.00 34.83 34.77 1pcp s MET 99 CO 0.24 -1.19 1.11 -1.13 -0.65 0.00 0.00 175.02 173.39 1pcp n SER 100 N 3.21 0.68 0.00 1.11 3.41 -1.26 -4.94 113.62 115.84 1pcp n SER 100 Ca 0.11 1.14 0.00 0.00 -0.26 0.00 0.00 58.87 59.86 1pcp n SER 100 Cb 0.35 -1.08 0.00 0.00 -0.26 0.00 0.00 64.21 63.22 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 1.59 0.00 0.00 -3.33 0.24 -1.26 -4.95 118.33 110.62 1pcp n VAL 101 Ca 0.18 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.48 1pcp n VAL 101 Cb 0.18 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.55 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 -0.34 7.34 2.13 -1.26 -4.80 120.64 123.72 1pcp n GLU 102 Ca 0.00 0.00 0.31 0.00 0.66 0.00 0.00 57.16 58.13 1pcp n GLU 102 Cb 0.00 0.00 0.54 0.00 0.27 0.00 0.00 31.44 32.25 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 1.55 0.23 -3.24 4.31 -0.08 -1.26 -4.28 116.55 113.78 1pcp n ASP 103 Ca 0.00 1.28 -0.17 0.00 -1.51 0.00 0.00 54.79 54.39 1pcp n ASP 103 Cb 0.00 -0.63 0.16 0.00 2.34 0.00 0.00 41.12 43.00 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 -4.51 -0.72 1.08 0.00 1.44 -1.26 -4.86 115.22 106.39 1pcp n HIS 105 Ca 0.08 -1.31 0.12 0.00 -2.01 0.00 0.00 57.72 54.60 1pcp n HIS 105 Cb 0.33 0.23 0.16 0.00 0.12 0.00 0.00 29.99 30.83 1pcp n HIS 105 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19