#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pcp n LYS 2 N 0.00 0.00 0.00 3.49 5.02 -1.04 -4.16 118.16 121.46 1pcp n LYS 2 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1pcp n LYS 2 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 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 0.00 0.00 -1.48 1.97 -0.04 -1.26 -5.09 135.00 129.10 1pcp n PRO 3 Ca 0.00 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.44 1pcp n PRO 3 Cb 0.00 -0.42 0.00 0.00 -0.04 0.00 0.00 33.50 33.05 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 -1.53 -0.28 -0.09 0.55 0.00 -1.26 -5.04 120.51 112.85 1pcp n ALA 4 Ca 0.00 -0.21 -0.12 0.00 0.00 0.00 0.00 53.44 53.11 1pcp n ALA 4 Cb 0.00 0.17 -0.15 0.00 0.00 0.00 0.00 19.45 19.47 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 -2.60 1.46 0.27 0.00 0.00 -1.26 -4.08 120.51 114.30 1pcp n ALA 5 Ca -0.03 -1.20 0.16 0.00 0.00 0.00 0.00 53.44 52.38 1pcp n ALA 5 Cb 0.10 -0.26 0.59 0.00 0.00 0.00 0.00 19.45 19.88 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 -3.09 0.06 0.00 0.00 5.12 -1.26 -2.72 116.66 114.77 1pcp n ARG 7 Ca 0.01 0.04 0.00 0.00 -1.93 0.00 0.00 57.85 55.98 1pcp n ARG 7 Cb 0.35 -1.56 0.00 0.00 -1.16 0.00 0.00 32.46 30.08 1pcp n ARG 7 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1pcp h SER 9 N 0.00 -1.08 -0.90 0.00 4.64 0.28 -1.23 113.55 115.26 1pcp h SER 9 Ca 0.00 0.16 -0.46 0.00 -0.47 0.00 0.00 61.79 61.02 1pcp h SER 9 Cb 0.00 0.46 -0.16 0.00 -0.31 0.00 0.00 62.40 62.39 1pcp h SER 9 CO 0.00 -0.37 0.31 -1.14 -0.87 0.00 0.00 176.83 174.76 1pcp n ARG 10 N -5.42 2.38 0.00 4.77 0.00 -1.10 -4.72 116.66 112.57 1pcp n ARG 10 Ca -0.03 -2.16 0.00 0.00 -0.00 0.00 0.00 57.85 55.66 1pcp n ARG 10 Cb 0.34 -2.13 0.00 0.00 0.00 0.00 0.00 32.46 30.66 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 1.14 0.00 -3.73 -0.14 -0.06 -0.47 -4.63 117.38 109.51 1pcp n GLN 11 Ca 0.48 0.00 -0.14 0.00 -2.00 0.00 0.00 57.00 55.35 1pcp n GLN 11 Cb 0.60 0.00 -0.09 0.00 -4.06 0.00 0.00 30.24 26.69 1pcp n GLN 11 CO 0.00 0.00 0.00 0.34 -0.20 0.00 0.00 177.06 177.20 1pcp s ASP 12 N -1.02 -0.32 -1.22 1.69 -1.08 -1.26 -4.99 116.67 108.46 1pcp s ASP 12 Ca 0.00 0.40 -0.20 0.00 -0.52 0.00 0.00 52.55 52.23 1pcp s ASP 12 Cb 0.00 0.51 -0.02 0.00 -1.46 0.00 0.00 42.92 41.96 1pcp s ASP 12 CO 0.00 -0.36 1.87 -0.81 0.52 0.00 0.00 175.17 176.39 1pcp n PRO 13 N 1.77 2.38 -0.49 4.34 -0.04 -1.26 -4.39 135.00 137.31 1pcp n PRO 13 Ca -0.18 -2.78 0.00 0.00 -0.04 0.00 0.00 63.50 60.50 1pcp n PRO 13 Cb 0.56 -3.53 0.00 0.00 -0.04 0.00 0.00 33.50 30.50 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 8.05 0.00 0.00 0.54 5.02 -1.26 -5.02 118.16 125.49 1pcp n LYS 14 Ca 0.48 0.22 0.02 0.00 -2.02 0.00 0.00 58.31 57.01 1pcp n LYS 14 Cb 0.45 -0.27 -0.01 0.00 -0.02 0.00 0.00 35.03 35.19 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 0.51 -1.61 4.39 5.03 -1.26 -4.97 115.26 117.34 1pcp n ASN 15 Ca 0.00 -0.75 -0.05 0.00 0.87 0.00 0.00 54.58 54.64 1pcp n ASN 15 Cb 0.00 0.71 -0.02 0.00 -1.02 0.00 0.00 39.78 39.45 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 -0.70 -1.65 -4.13 3.52 1.74 -1.26 -4.86 116.66 109.32 1pcp n ARG 16 Ca 0.01 0.30 -0.16 0.00 -0.77 0.00 0.00 57.85 57.23 1pcp n ARG 16 Cb 0.07 -4.55 -0.12 0.00 -1.02 0.00 0.00 32.46 26.84 1pcp n ARG 16 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1pcp s VAL 17 N -1.74 0.86 0.21 1.55 1.01 -1.26 -4.98 120.40 116.05 1pcp s VAL 17 Ca 0.00 -1.20 0.05 0.00 0.00 0.00 0.00 61.98 60.83 1pcp s VAL 17 Cb 0.00 -0.87 -0.05 0.00 0.00 0.00 0.00 36.38 35.46 1pcp s VAL 17 CO 0.00 -0.29 -0.06 0.54 0.00 0.00 0.00 175.10 175.29 1pcp s ASN 18 N -1.66 2.03 -0.01 3.32 2.20 -1.26 -4.52 114.94 115.04 1pcp s ASN 18 Ca -0.05 -1.13 0.13 0.00 -0.94 0.00 0.00 52.86 50.87 1pcp s ASN 18 Cb -0.10 -0.04 0.22 0.00 -2.00 0.00 0.00 41.25 39.34 1pcp s ASN 18 CO 0.01 -0.39 1.09 0.00 -2.94 0.00 0.00 177.10 174.87 1pcp n GLY 20 N 0.14 5.07 3.19 0.00 0.00 -1.25 -4.78 105.19 107.55 1pcp n GLY 20 Ca 0.04 -0.66 -0.08 0.00 0.00 0.00 0.00 46.02 45.32 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 1.54 0.36 -0.36 1.61 -0.12 -1.26 -5.08 117.98 114.67 1pcp s PHE 21 Ca 0.00 -0.81 -0.29 0.00 -0.05 0.00 0.00 56.93 55.78 1pcp s PHE 21 Cb 0.00 -0.19 0.00 0.00 -0.63 0.00 0.00 43.02 42.20 1pcp s PHE 21 CO 0.00 -0.52 1.38 -1.25 -0.05 0.00 0.00 175.22 174.78 1pcp s PRO 22 N -3.91 3.71 0.00 1.99 0.04 -1.26 -2.57 135.00 133.00 1pcp s PRO 22 Ca 0.09 1.09 0.00 0.00 0.04 0.00 0.00 61.00 62.22 1pcp s PRO 22 Cb 0.06 -3.97 0.00 0.00 0.04 0.00 0.00 34.50 30.62 1pcp s PRO 22 CO -0.08 -1.39 0.00 0.41 0.04 0.00 0.00 177.00 175.98 1pcp n GLY 23 N 4.77 1.12 3.28 0.56 0.00 -1.26 -5.12 105.19 108.55 1pcp n GLY 23 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.23 0.00 0.02 -0.61 3.06 -1.06 -5.01 119.36 115.52 1pcp n ILE 24 Ca 0.00 -0.19 -0.01 0.00 -2.50 0.00 0.00 62.75 60.05 1pcp n ILE 24 Cb 0.00 -0.92 -0.00 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 -5.37 0.71 0.00 9.51 -2.24 -1.26 -5.11 114.28 110.52 1pcp n THR 25 Ca 0.08 0.20 0.00 0.00 -2.27 0.00 0.00 64.05 62.06 1pcp n THR 25 Cb 0.56 -1.58 0.00 0.00 -2.10 0.00 0.00 70.33 67.21 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 -3.32 0.00 -0.34 3.42 3.41 -1.26 -4.97 113.62 110.55 1pcp n SER 26 Ca -0.02 0.00 -0.05 0.00 -0.26 0.00 0.00 58.87 58.54 1pcp n SER 26 Cb 0.26 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.19 1pcp n SER 26 CO 0.00 0.00 0.00 -0.78 -0.16 0.00 0.00 175.04 174.10 1pcp h ASP 27 N 0.00 -1.62 -0.29 4.04 3.58 -1.99 3.16 116.42 123.30 1pcp h ASP 27 Ca 0.00 0.30 0.08 0.00 0.42 0.00 0.00 57.03 57.83 1pcp h ASP 27 Cb 0.00 0.78 -0.01 0.00 1.72 0.00 0.00 39.33 41.82 1pcp h ASP 27 CO 0.00 -0.29 0.28 1.56 -2.88 0.00 0.00 179.24 177.92 1pcp h GLN 28 N -0.06 0.00 0.04 0.28 1.08 -1.96 1.30 115.11 115.78 1pcp h GLN 28 Ca 0.26 0.00 -0.27 0.00 -1.45 0.00 0.00 58.65 57.19 1pcp h GLN 28 Cb 0.54 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.94 1pcp h GLN 28 CO -0.89 0.00 -1.38 0.00 -0.95 0.00 0.00 178.83 175.60 1pcp n PHE 30 N -3.29 0.00 0.94 0.00 3.72 0.52 -2.27 117.46 117.08 1pcp n PHE 30 Ca -0.10 0.00 0.10 0.00 -0.05 0.00 0.00 57.45 57.40 1pcp n PHE 30 Cb 1.01 -0.32 -0.11 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 -1.37 0.00 -0.07 4.37 -1.04 0.40 -2.51 114.28 114.06 1pcp n THR 31 Ca 0.08 -0.03 0.08 0.00 -2.04 0.00 0.00 64.05 62.14 1pcp n THR 31 Cb 0.33 0.90 0.28 0.00 -1.82 0.00 0.00 70.33 70.02 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 -1.55 3.65 0.00 8.00 3.41 -1.13 -3.61 113.62 122.39 1pcp n SER 32 Ca 0.04 -2.22 0.00 0.00 -0.26 0.00 0.00 58.87 56.42 1pcp n SER 32 Cb 0.34 -0.47 0.00 0.00 -0.26 0.00 0.00 64.21 63.82 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 1.16 0.50 3.76 5.00 0.00 -1.26 -5.01 105.19 109.35 1pcp n GLY 33 Ca 0.21 0.00 -0.22 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 -2.30 -0.56 0.00 0.00 5.36 -1.26 -1.20 117.98 118.02 1pcp s PHE 36 Ca 0.49 1.19 0.00 0.00 -0.96 0.00 0.00 56.93 57.66 1pcp s PHE 36 Cb -0.09 0.19 0.00 0.00 -0.34 0.00 0.00 43.02 42.79 1pcp s PHE 36 CO 0.31 -0.35 0.00 -3.47 -1.46 0.00 0.00 175.22 170.25 1pcp n ASP 37 N 4.60 0.00 0.00 6.13 -0.08 -0.38 -4.78 116.55 122.04 1pcp n ASP 37 Ca -0.19 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.09 1pcp n ASP 37 Cb 0.53 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.99 1pcp n ASP 37 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 1pcp n SER 38 N -2.44 0.00 -0.22 1.67 2.88 -1.23 -4.81 113.62 109.47 1pcp n SER 38 Ca 0.00 0.00 0.20 0.00 -1.33 0.00 0.00 58.87 57.74 1pcp n SER 38 Cb 0.00 0.00 0.34 0.00 -0.75 0.00 0.00 64.21 63.80 1pcp n SER 38 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1pcp n GLN 39 N 0.00 -0.02 -3.16 -1.46 3.00 -1.26 -3.14 117.38 111.34 1pcp n GLN 39 Ca 0.00 0.68 -0.43 0.00 -0.01 0.00 0.00 57.00 57.24 1pcp n GLN 39 Cb 0.00 -1.30 -0.07 0.00 0.00 0.00 0.00 30.24 28.87 1pcp n GLN 39 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 1pcp s VAL 40 N -4.57 4.88 0.19 5.09 1.01 -1.26 -5.04 120.40 120.70 1pcp s VAL 40 Ca -0.04 -0.18 -0.30 0.00 0.00 0.00 0.00 61.98 61.46 1pcp s VAL 40 Cb 0.17 -4.22 -0.08 0.00 0.00 0.00 0.00 36.38 32.25 1pcp s VAL 40 CO 0.42 -0.65 1.11 -2.16 0.00 0.00 0.00 175.10 173.82 1pcp s PRO 41 N 2.66 4.59 0.00 2.72 0.04 -1.19 -3.61 135.00 140.21 1pcp s PRO 41 Ca 0.18 1.75 0.00 0.00 0.04 0.00 0.00 61.00 62.97 1pcp s PRO 41 Cb -0.16 -3.26 0.00 0.00 0.04 0.00 0.00 34.50 31.11 1pcp s PRO 41 CO 0.15 0.07 0.00 0.41 0.04 0.00 0.00 177.00 177.68 1pcp n GLY 42 N 1.96 2.84 3.53 0.56 0.00 -1.26 -5.02 105.19 107.80 1pcp n GLY 42 Ca 0.02 -0.72 -0.30 0.00 0.00 0.00 0.00 46.02 45.03 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 -2.40 1.61 0.24 -1.24 -4.93 118.33 111.61 1pcp n VAL 43 Ca 0.00 -0.50 -0.43 0.00 -2.04 0.00 0.00 64.34 61.38 1pcp n VAL 43 Cb 0.00 -1.25 -0.02 0.00 -1.47 0.00 0.00 33.84 31.10 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 -5.51 4.05 -0.06 7.34 0.04 -1.26 -4.91 135.00 134.70 1pcp s PRO 44 Ca 0.72 1.47 -0.26 0.00 0.04 0.00 0.00 61.00 62.96 1pcp s PRO 44 Cb -0.07 -3.84 -0.22 0.00 0.04 0.00 0.00 34.50 30.41 1pcp s PRO 44 CO 0.55 -0.95 1.08 -1.49 0.04 0.00 0.00 177.00 176.23 1pcp h TRP 45 N 8.92 0.09 -3.49 0.56 6.55 -1.88 -3.42 115.95 123.29 1pcp h TRP 45 Ca -0.27 -0.04 -0.61 0.00 0.95 0.00 0.00 58.89 58.92 1pcp h TRP 45 Cb 1.10 -0.01 -0.11 0.00 -0.86 0.00 0.00 29.16 29.28 1pcp h TRP 45 CO 0.85 0.76 0.19 0.00 -1.05 0.00 0.00 178.44 179.18 1pcp n PHE 47 N 5.83 -0.01 -3.33 0.00 1.16 -0.34 -0.05 117.46 120.72 1pcp n PHE 47 Ca -0.00 0.00 -0.21 0.00 -1.87 0.00 0.00 57.45 55.37 1pcp n PHE 47 Cb 0.49 0.00 -0.00 0.00 -1.61 0.00 0.00 39.48 38.36 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 -0.68 3.14 0.02 3.97 3.01 -1.26 0.31 119.74 128.24 1pcp s LYS 48 Ca 0.00 -0.79 -0.00 0.00 -1.01 0.00 0.00 55.97 54.17 1pcp s LYS 48 Cb 0.00 -2.73 0.00 0.00 -1.01 0.00 0.00 37.83 34.10 1pcp s LYS 48 CO 0.00 -0.02 0.02 -0.35 0.51 0.00 0.00 175.35 175.51 1pcp n PRO 49 N -1.78 -0.53 -3.13 -1.68 -0.04 -1.26 -4.65 135.00 121.92 1pcp n PRO 49 Ca -0.00 -0.04 -0.18 0.00 -0.04 0.00 0.00 63.50 63.24 1pcp n PRO 49 Cb 0.58 -0.03 -0.03 0.00 -0.04 0.00 0.00 33.50 33.98 1pcp n PRO 49 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1pcp n LEU 50 N 0.00 1.20 -4.81 1.53 0.00 -1.24 -5.01 117.00 108.67 1pcp n LEU 50 Ca 0.00 -5.00 -0.32 0.00 0.00 0.00 0.00 56.01 50.70 1pcp n LEU 50 Cb 0.01 0.59 0.03 0.00 0.00 0.00 0.00 43.42 44.05 1pcp n LEU 50 CO 0.01 2.25 0.71 -2.16 0.00 0.00 0.00 177.39 178.20 1pcp s PRO 51 N -2.56 3.17 -0.12 1.96 0.04 -1.26 -3.00 135.00 133.23 1pcp s PRO 51 Ca 0.40 1.06 0.05 0.00 0.04 0.00 0.00 61.00 62.55 1pcp s PRO 51 Cb 0.35 -2.02 0.14 0.00 0.04 0.00 0.00 34.50 33.01 1pcp s PRO 51 CO -0.08 -0.92 0.86 0.00 0.04 0.00 0.00 177.00 176.91 1pcp n ALA 52 N -2.55 -0.20 0.00 8.56 0.00 -1.26 -4.68 120.51 120.38 1pcp n ALA 52 Ca 0.08 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.16 1pcp n ALA 52 Cb 0.53 -0.60 0.00 0.00 0.00 0.00 0.00 19.45 19.38 1pcp n ALA 52 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1pcp n GLN 53 N -0.54 0.00 0.00 0.00 6.02 -1.26 -4.56 117.38 117.04 1pcp n GLN 53 Ca -0.07 0.00 0.11 0.00 -0.01 0.00 0.00 57.00 57.04 1pcp n GLN 53 Cb 0.63 0.00 0.66 0.00 1.02 0.00 0.00 30.24 32.55 1pcp n GLN 53 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1pcp n GLU 54 N -0.60 0.89 -4.30 -1.09 -0.58 -1.26 -4.64 120.64 109.07 1pcp n GLU 54 Ca 0.00 0.00 -0.23 0.00 -0.42 0.00 0.00 57.16 56.51 1pcp n GLU 54 Cb 0.00 -1.39 -0.17 0.00 -0.57 0.00 0.00 31.44 29.31 1pcp n GLU 54 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 1pcp s SER 55 N -1.80 1.42 -0.53 1.62 0.01 -1.26 -5.02 113.70 108.14 1pcp s SER 55 Ca 0.34 -0.21 -0.05 0.00 1.31 0.00 0.00 55.95 57.34 1pcp s SER 55 Cb 0.15 -0.64 -0.09 0.00 0.21 0.00 0.00 66.02 65.65 1pcp s SER 55 CO 0.26 -0.03 2.19 -0.62 0.41 0.00 0.00 173.24 175.44 1pcp n GLU 56 N 4.07 1.69 0.00 12.44 1.02 -1.26 -3.13 120.64 135.47 1pcp n GLU 56 Ca -0.22 -1.08 0.00 0.00 -0.02 0.00 0.00 57.16 55.84 1pcp n GLU 56 Cb 0.51 -2.17 0.00 0.00 -0.02 0.00 0.00 31.44 29.77 1pcp n GLU 56 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 1pcp n GLU 57 N 3.56 2.39 0.00 3.49 0.28 -1.26 -4.92 120.64 124.18 1pcp n GLU 57 Ca 0.36 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.36 1pcp n GLU 57 Cb 0.30 -0.86 0.00 0.00 1.43 0.00 0.00 31.44 32.31 1pcp n GLU 57 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1pcp n VAL 59 N -0.87 -6.64 0.00 0.00 0.31 -1.26 -4.05 118.33 105.81 1pcp n VAL 59 Ca 0.00 1.65 0.00 0.00 -0.01 0.00 0.00 64.34 65.98 1pcp n VAL 59 Cb 0.00 -3.20 0.00 0.00 -0.91 0.00 0.00 33.84 29.73 1pcp n VAL 59 CO 0.00 0.00 0.00 1.15 -1.32 0.00 0.00 176.83 176.66 1pcp n MET 60 N 1.80 0.00 -2.33 5.55 0.00 -1.16 -4.79 117.12 116.18 1pcp n MET 60 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 57.70 57.45 1pcp n MET 60 Cb 0.00 0.00 0.07 0.00 0.00 0.00 0.00 33.22 33.29 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 -1.54 2.16 -1.04 3.17 -0.21 -1.26 -4.67 119.66 116.26 1pcp s GLN 61 Ca 0.00 -0.48 -0.26 0.00 0.02 0.00 0.00 55.36 54.65 1pcp s GLN 61 Cb 0.00 -2.25 -0.20 0.00 1.00 0.00 0.00 33.01 31.56 1pcp s GLN 61 CO 0.00 -1.18 2.02 1.33 -2.12 0.00 0.00 175.29 175.34 1pcp n VAL 62 N -2.81 0.65 0.00 1.09 0.24 -1.26 -0.50 118.33 115.74 1pcp n VAL 62 Ca 0.09 -0.67 0.00 0.00 -2.04 0.00 0.00 64.34 61.72 1pcp n VAL 62 Cb 0.60 -2.06 0.00 0.00 -1.47 0.00 0.00 33.84 30.91 1pcp n VAL 62 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 1pcp n SER 63 N 17.26 0.00 -0.07 -1.34 2.88 -1.26 -4.94 113.62 126.15 1pcp n SER 63 Ca 0.43 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 58.10 1pcp n SER 63 Cb 0.46 0.00 0.42 0.00 -0.75 0.00 0.00 64.21 64.35 1pcp n SER 63 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1pcp n ALA 64 N 0.00 3.06 1.97 -1.46 0.00 0.34 -3.45 120.51 120.96 1pcp n ALA 64 Ca 0.00 -0.29 0.02 0.00 0.00 0.00 0.00 53.44 53.17 1pcp n ALA 64 Cb 0.00 -1.24 0.13 0.00 0.00 0.00 0.00 19.45 18.35 1pcp n ALA 64 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1pcp n ARG 65 N -1.23 1.03 0.00 0.00 1.74 -1.23 -4.86 116.66 112.10 1pcp n ARG 65 Ca 0.09 -0.04 0.00 0.00 -0.77 0.00 0.00 57.85 57.13 1pcp n ARG 65 Cb 0.32 -1.08 0.00 0.00 -1.02 0.00 0.00 32.46 30.69 1pcp n ARG 65 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 1pcp n LYS 66 N -0.53 0.00 0.00 5.56 4.81 -1.22 -4.16 118.16 122.61 1pcp n LYS 66 Ca 0.04 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.48 1pcp n LYS 66 Cb 0.02 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.07 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 2.18 0.00 0.00 3.14 6.94 -1.26 -4.72 115.26 121.55 1pcp n ASN 67 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 1pcp n ASN 67 Cb 0.00 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 1pcp n ASN 67 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1pcp n GLY 69 N 2.36 -2.62 3.41 0.00 0.00 0.66 -4.96 105.19 104.03 1pcp n GLY 69 Ca 0.00 -1.19 -0.23 0.00 0.00 0.00 0.00 46.02 44.61 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 2.07 -2.00 1.61 1.13 -1.26 -4.85 117.35 114.05 1pcp s TYR 70 Ca 0.00 -0.42 0.05 0.00 -1.41 0.00 0.00 57.07 55.30 1pcp s TYR 70 Cb 0.00 -0.95 0.32 0.00 -1.10 0.00 0.00 41.96 40.23 1pcp s TYR 70 CO 0.00 0.54 0.98 -0.35 -2.51 0.00 0.00 175.55 174.21 1pcp n PRO 71 N -0.30 0.75 -0.00 -3.49 -0.04 -1.26 -2.08 135.00 128.58 1pcp n PRO 71 Ca -0.08 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.43 1pcp n PRO 71 Cb 0.59 -1.11 -0.06 0.00 -0.04 0.00 0.00 33.50 32.88 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 0.30 -0.09 3.81 0.55 0.00 -1.26 -5.01 105.19 103.49 1pcp n GLY 72 Ca 0.04 -0.26 -0.30 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.17 3.23 0.36 -0.61 2.07 -0.88 -5.08 121.20 118.11 1pcp s ILE 73 Ca 0.01 0.40 0.01 0.00 -1.41 0.00 0.00 60.65 59.67 1pcp s ILE 73 Cb 0.07 -3.16 0.01 0.00 0.13 0.00 0.00 42.46 39.51 1pcp s ILE 73 CO 0.40 -0.52 0.11 -0.24 -1.91 0.00 0.00 174.94 172.77 1pcp n SER 74 N -3.36 2.66 -4.34 4.50 2.88 -1.26 -4.98 113.62 109.72 1pcp n SER 74 Ca 0.07 -2.42 -0.29 0.00 -1.33 0.00 0.00 58.87 54.89 1pcp n SER 74 Cb 0.56 0.14 0.18 0.00 -0.75 0.00 0.00 64.21 64.33 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 -3.36 0.35 0.00 -1.46 0.04 -1.26 -2.26 135.00 127.05 1pcp s PRO 75 Ca 0.08 -0.00 0.00 0.00 0.04 0.00 0.00 61.00 61.12 1pcp s PRO 75 Cb -0.01 -1.77 0.00 0.00 0.04 0.00 0.00 34.50 32.76 1pcp s PRO 75 CO 0.05 -2.68 0.00 0.39 0.04 0.00 0.00 177.00 174.81 1pcp n GLU 76 N -4.04 0.00 -0.04 4.56 4.71 -1.26 -3.80 120.64 120.77 1pcp n GLU 76 Ca 0.11 0.00 -0.01 0.00 -0.01 0.00 0.00 57.16 57.25 1pcp n GLU 76 Cb 0.59 0.00 0.27 0.00 -1.01 0.00 0.00 31.44 31.29 1pcp n GLU 76 CO 0.00 0.00 0.00 -0.44 0.09 0.00 0.00 177.13 176.78 1pcp h ASP 77 N 0.00 0.57 0.00 1.62 3.32 -1.99 0.17 116.42 120.12 1pcp h ASP 77 Ca 0.00 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 56.95 1pcp h ASP 77 Cb 0.00 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.40 1pcp h ASP 77 CO 0.00 0.61 0.00 0.00 -1.72 0.00 0.00 179.24 178.13 1pcp n ALA 79 N -1.90 0.78 0.22 0.00 0.00 -1.21 -0.62 120.51 117.78 1pcp n ALA 79 Ca 0.00 0.09 -0.14 0.00 0.00 0.00 0.00 53.44 53.39 1pcp n ALA 79 Cb 0.00 -0.90 -0.07 0.00 0.00 0.00 0.00 19.45 18.48 1pcp n ALA 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pcp h ALA 80 N 1.52 -1.05 -0.57 0.00 0.00 -0.05 -3.39 119.26 115.72 1pcp h ALA 80 Ca 0.00 -0.14 -0.30 0.00 0.00 0.00 0.00 54.91 54.47 1pcp h ALA 80 Cb 0.31 0.62 -0.30 0.00 0.00 0.00 0.00 17.79 18.41 1pcp h ALA 80 CO 0.00 -1.08 -0.86 0.54 0.00 0.00 0.00 179.25 177.85 1pcp n ARG 81 N -4.72 1.21 0.00 0.00 3.00 -0.81 -5.04 116.66 110.29 1pcp n ARG 81 Ca -0.09 -2.68 0.00 0.00 -0.01 0.00 0.00 57.85 55.07 1pcp n ARG 81 Cb 0.35 -0.77 0.00 0.00 0.00 0.00 0.00 32.46 32.03 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 -0.35 0.00 -0.82 0.55 5.03 0.21 -5.06 115.26 114.82 1pcp n ASN 82 Ca 0.04 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.49 1pcp n ASN 82 Cb 0.83 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.59 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 -2.10 0.52 -0.57 0.00 5.36 -1.16 -1.37 117.98 118.66 1pcp s PHE 85 Ca 0.54 -1.82 -0.03 0.00 -0.96 0.00 0.00 56.93 54.66 1pcp s PHE 85 Cb -0.27 -0.70 0.15 0.00 -0.34 0.00 0.00 43.02 41.86 1pcp s PHE 85 CO 0.69 -0.90 0.39 0.45 -1.46 0.00 0.00 175.22 174.39 1pcp s SER 86 N 0.49 5.31 0.00 6.13 0.15 -0.80 -4.87 113.70 120.10 1pcp s SER 86 Ca 0.28 -2.61 0.29 0.00 0.70 0.00 0.00 55.95 54.60 1pcp s SER 86 Cb -0.03 -1.87 1.20 0.00 -1.71 0.00 0.00 66.02 63.61 1pcp s SER 86 CO -0.13 -0.43 1.86 -0.90 1.20 0.00 0.00 173.24 174.84 1pcp n ASP 87 N 3.82 0.29 -0.40 5.45 5.75 -1.26 -4.07 116.55 126.13 1pcp n ASP 87 Ca 0.05 -0.23 0.32 0.00 -0.01 0.00 0.00 54.79 54.92 1pcp n ASP 87 Cb 0.39 -0.16 0.53 0.00 -1.03 0.00 0.00 41.12 40.85 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 -0.12 -3.99 2.12 5.66 -1.26 -2.89 114.28 112.60 1pcp n THR 88 Ca 0.12 1.23 -0.33 0.00 -3.05 0.00 0.00 64.05 62.02 1pcp n THR 88 Cb 0.29 -2.03 -0.14 0.00 -1.55 0.00 0.00 70.33 66.90 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 2.52 0.37 1.09 1.09 -1.26 -5.10 121.20 115.27 1pcp s ILE 89 Ca -0.05 -1.76 -0.25 0.00 -1.10 0.00 0.00 60.65 57.49 1pcp s ILE 89 Cb 0.21 -2.57 -0.09 0.00 -1.06 0.00 0.00 42.46 38.95 1pcp s ILE 89 CO 0.61 -0.23 1.06 -2.16 -0.10 0.00 0.00 174.94 174.12 1pcp s PRO 90 N 1.10 4.28 0.00 2.79 0.04 -1.14 -3.76 135.00 138.31 1pcp s PRO 90 Ca -0.02 1.58 0.00 0.00 0.04 0.00 0.00 61.00 62.60 1pcp s PRO 90 Cb -0.20 -2.70 0.00 0.00 0.04 0.00 0.00 34.50 31.64 1pcp s PRO 90 CO -0.04 -0.05 0.00 -0.85 0.04 0.00 0.00 177.00 176.09 1pcp n GLU 91 N 0.24 0.00 -4.04 4.56 -0.00 -1.26 -5.08 120.64 115.06 1pcp n GLU 91 Ca 0.03 0.09 -0.10 0.00 -0.00 0.00 0.00 57.16 57.18 1pcp n GLU 91 Cb 0.48 -1.35 -0.07 0.00 -0.00 0.00 0.00 31.44 30.50 1pcp n GLU 91 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.13 177.27 1pcp s VAL 92 N -2.00 0.01 -0.66 3.84 -7.23 -1.25 -5.10 120.40 108.01 1pcp s VAL 92 Ca 0.00 -1.56 -0.27 0.00 -1.81 0.00 0.00 61.98 58.34 1pcp s VAL 92 Cb 0.00 -2.21 0.01 0.00 0.56 0.00 0.00 36.38 34.74 1pcp s VAL 92 CO 0.00 -0.06 1.55 -2.16 -0.31 0.00 0.00 175.10 174.12 1pcp s PRO 93 N -4.05 2.95 0.05 4.82 0.04 -1.26 -4.84 135.00 132.72 1pcp s PRO 93 Ca 0.26 0.21 -0.20 0.00 0.04 0.00 0.00 61.00 61.31 1pcp s PRO 93 Cb 0.02 -4.27 -0.13 0.00 0.04 0.00 0.00 34.50 30.17 1pcp s PRO 93 CO 0.08 -2.38 1.39 -1.49 0.04 0.00 0.00 177.00 174.64 1pcp h TRP 94 N 12.31 0.44 -1.76 0.56 6.55 -1.90 -3.37 115.95 128.78 1pcp h TRP 94 Ca -0.27 -0.12 -0.62 0.00 0.95 0.00 0.00 58.89 58.83 1pcp h TRP 94 Cb 1.10 -0.10 -0.12 0.00 -0.86 0.00 0.00 29.16 29.18 1pcp h TRP 94 CO 1.08 0.71 1.17 0.00 -1.05 0.00 0.00 178.44 180.35 1pcp s PHE 96 N 4.32 2.10 0.62 0.00 -0.12 -0.47 0.23 117.98 124.65 1pcp s PHE 96 Ca 0.39 -0.41 -0.18 0.00 -0.05 0.00 0.00 56.93 56.68 1pcp s PHE 96 Cb -0.04 -0.94 -0.02 0.00 -0.63 0.00 0.00 43.02 41.39 1pcp s PHE 96 CO -0.05 0.59 1.19 -0.06 -0.05 0.00 0.00 175.22 176.84 1pcp s PHE 97 N -2.59 2.37 0.47 3.49 0.08 -1.26 0.68 117.98 121.22 1pcp s PHE 97 Ca 0.27 1.53 -0.21 0.00 0.12 0.00 0.00 56.93 58.64 1pcp s PHE 97 Cb -0.04 -3.44 -0.09 0.00 -0.57 0.00 0.00 43.02 38.88 1pcp s PHE 97 CO 0.12 -2.20 1.04 -1.25 -0.10 0.00 0.00 175.22 172.83 1pcp s PRO 98 N -3.48 3.86 0.43 0.24 0.04 -1.26 -4.72 135.00 130.10 1pcp s PRO 98 Ca 0.76 1.38 0.30 0.00 0.04 0.00 0.00 61.00 63.48 1pcp s PRO 98 Cb -0.29 -2.16 1.44 0.00 0.04 0.00 0.00 34.50 33.53 1pcp s PRO 98 CO 0.35 -0.39 1.60 0.00 0.04 0.00 0.00 177.00 178.60 1pcp h MET 99 N 1.70 0.04 -6.45 4.56 -0.00 -1.67 -3.44 114.93 109.67 1pcp h MET 99 Ca -0.49 -0.00 -0.40 0.00 -0.00 0.00 0.00 59.70 58.80 1pcp h MET 99 Cb 1.22 -0.01 -0.00 0.00 -0.00 0.00 0.00 31.60 32.81 1pcp h MET 99 CO 0.59 0.03 -0.88 0.43 -0.00 0.00 0.00 176.91 177.09 1pcp n SER 100 N -4.80 -3.72 0.00 -0.10 7.64 -1.26 -4.82 113.62 106.56 1pcp n SER 100 Ca 0.39 -0.80 0.00 0.00 1.01 0.00 0.00 58.87 59.47 1pcp n SER 100 Cb 1.47 -1.25 0.00 0.00 -1.01 0.00 0.00 64.21 63.42 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 -2.34 0.00 -0.50 0.44 0.24 -1.26 -5.02 118.33 109.90 1pcp n VAL 101 Ca -0.25 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.05 1pcp n VAL 101 Cb 0.54 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.91 1pcp n VAL 101 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1pcp n GLU 102 N 0.00 0.00 -0.69 7.34 1.02 -1.26 -4.90 120.64 122.15 1pcp n GLU 102 Ca 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 57.16 57.08 1pcp n GLU 102 Cb 0.00 -1.27 0.19 0.00 -0.02 0.00 0.00 31.44 30.34 1pcp n GLU 102 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1pcp n ASP 103 N 0.00 3.76 -4.35 1.62 9.92 -1.26 -4.91 116.55 121.33 1pcp n ASP 103 Ca 0.00 -2.82 -0.28 0.00 -0.53 0.00 0.00 54.79 51.16 1pcp n ASP 103 Cb 0.00 -0.67 0.16 0.00 -0.64 0.00 0.00 41.12 39.96 1pcp n ASP 103 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1pcp n HIS 105 N -3.48 -0.67 0.33 0.00 1.44 -1.26 -4.92 115.22 106.67 1pcp n HIS 105 Ca 0.14 0.00 0.04 0.00 -2.01 0.00 0.00 57.72 55.89 1pcp n HIS 105 Cb 0.60 0.00 0.03 0.00 0.12 0.00 0.00 29.99 30.74 1pcp n HIS 105 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19