#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 -1.23 -4.16 118.16 121.29 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 -2.86 1.97 -0.04 -1.26 -4.80 135.00 128.01 1pcp n PRO 3 Ca 0.00 0.48 0.02 0.00 -0.04 0.00 0.00 63.50 63.96 1pcp n PRO 3 Cb 0.00 -1.11 0.00 0.00 -0.04 0.00 0.00 33.50 32.36 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 -1.94 -1.69 0.17 0.55 0.00 -1.26 -4.95 120.51 111.39 1pcp n ALA 4 Ca 0.00 -0.33 0.04 0.00 0.00 0.00 0.00 53.44 53.15 1pcp n ALA 4 Cb 0.00 0.02 -0.05 0.00 0.00 0.00 0.00 19.45 19.42 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 -2.11 2.64 1.11 0.00 0.00 -1.26 -4.35 120.51 116.53 1pcp n ALA 5 Ca -0.05 -0.21 0.12 0.00 0.00 0.00 0.00 53.44 53.31 1pcp n ALA 5 Cb 0.25 -0.28 0.61 0.00 0.00 0.00 0.00 19.45 20.03 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 -1.33 1.57 0.00 0.00 1.85 -1.26 -4.69 116.66 112.80 1pcp n ARG 7 Ca 0.11 -3.26 0.00 0.00 -1.00 0.00 0.00 57.85 53.70 1pcp n ARG 7 Cb 0.22 -1.54 0.00 0.00 -1.05 0.00 0.00 32.46 30.09 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 -2.14 5.21 0.00 0.00 3.41 -0.22 -3.41 113.62 116.47 1pcp n SER 9 Ca 0.00 -3.09 0.00 0.00 -0.26 0.00 0.00 58.87 55.52 1pcp n SER 9 Cb 0.00 -1.48 0.00 0.00 -0.26 0.00 0.00 64.21 62.47 1pcp n SER 9 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1pcp n ARG 10 N 3.88 0.00 0.00 4.33 5.12 -1.26 -4.89 116.66 123.83 1pcp n ARG 10 Ca 0.42 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.34 1pcp n ARG 10 Cb 0.36 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.66 1pcp n ARG 10 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 1pcp n GLN 11 N 0.00 0.00 -3.73 5.56 3.00 -1.22 -4.55 117.38 116.44 1pcp n GLN 11 Ca 0.00 0.00 -0.14 0.00 -0.01 0.00 0.00 57.00 56.85 1pcp n GLN 11 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 30.24 30.15 1pcp n GLN 11 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 1pcp s ASP 12 N 0.00 -0.32 -1.13 1.08 -1.08 -1.26 -5.06 116.67 108.90 1pcp s ASP 12 Ca 0.00 0.45 -0.16 0.00 -0.52 0.00 0.00 52.55 52.32 1pcp s ASP 12 Cb 0.00 0.55 -0.06 0.00 -1.46 0.00 0.00 42.92 41.94 1pcp s ASP 12 CO 0.00 -0.32 2.16 -0.81 0.52 0.00 0.00 175.17 176.72 1pcp n PRO 13 N 1.94 2.28 -0.73 4.34 -0.04 -1.26 -4.37 135.00 137.16 1pcp n PRO 13 Ca -0.18 -2.11 0.00 0.00 -0.04 0.00 0.00 63.50 61.17 1pcp n PRO 13 Cb 0.57 -2.99 0.00 0.00 -0.04 0.00 0.00 33.50 31.04 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 6.01 0.00 -0.02 0.54 4.81 -1.26 -5.05 118.16 123.18 1pcp n LYS 14 Ca 0.53 0.25 -0.02 0.00 -0.87 0.00 0.00 58.31 58.20 1pcp n LYS 14 Cb 0.35 -0.48 -0.02 0.00 0.02 0.00 0.00 35.03 34.90 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 4.08 0.00 3.14 3.02 -1.26 -5.01 115.26 119.23 1pcp n ASN 15 Ca 0.00 -0.01 0.00 0.00 -0.03 0.00 0.00 54.58 54.54 1pcp n ASN 15 Cb 0.00 0.37 0.00 0.00 -0.61 0.00 0.00 39.78 39.54 1pcp n ASN 15 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 1pcp n ARG 16 N -2.27 0.00 -3.61 3.52 3.00 -1.26 -5.03 116.66 111.01 1pcp n ARG 16 Ca -0.06 0.00 -0.36 0.00 -0.00 0.00 0.00 57.85 57.43 1pcp n ARG 16 Cb 0.59 -1.96 -0.06 0.00 0.00 0.00 0.00 32.46 31.03 1pcp n ARG 16 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 1pcp s VAL 17 N -3.00 5.14 0.16 5.15 1.01 -1.26 -4.90 120.40 122.70 1pcp s VAL 17 Ca 0.00 0.51 0.05 0.00 0.00 0.00 0.00 61.98 62.54 1pcp s VAL 17 Cb 0.00 -3.63 -0.05 0.00 0.00 0.00 0.00 36.38 32.70 1pcp s VAL 17 CO 0.00 0.43 -0.10 0.54 0.00 0.00 0.00 175.10 175.97 1pcp s ASN 18 N -1.46 1.89 -0.35 3.32 2.20 -1.26 -4.63 114.94 114.65 1pcp s ASN 18 Ca 0.27 -1.03 0.15 0.00 -0.94 0.00 0.00 52.86 51.31 1pcp s ASN 18 Cb -0.15 -0.02 0.40 0.00 -2.00 0.00 0.00 41.25 39.48 1pcp s ASN 18 CO 0.15 -0.32 0.83 0.00 -2.94 0.00 0.00 177.10 174.81 1pcp n GLY 20 N 0.13 0.64 3.49 0.00 0.00 -1.26 -4.56 105.19 103.63 1pcp n GLY 20 Ca 0.18 0.44 -0.11 0.00 0.00 0.00 0.00 46.02 46.53 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 2.47 -0.46 -0.46 1.61 -0.71 -1.26 -5.10 117.98 114.07 1pcp s PHE 21 Ca 0.00 0.23 -0.28 0.00 -1.04 0.00 0.00 56.93 55.83 1pcp s PHE 21 Cb 0.00 0.58 0.01 0.00 -1.21 0.00 0.00 43.02 42.39 1pcp s PHE 21 CO 0.00 -0.84 1.44 -1.25 -1.34 0.00 0.00 175.22 173.22 1pcp s PRO 22 N -3.65 3.46 0.00 1.99 0.04 -1.26 -2.41 135.00 133.16 1pcp s PRO 22 Ca 0.03 0.80 0.00 0.00 0.04 0.00 0.00 61.00 61.87 1pcp s PRO 22 Cb -0.02 -4.07 0.00 0.00 0.04 0.00 0.00 34.50 30.45 1pcp s PRO 22 CO -0.10 -1.72 0.00 0.41 0.04 0.00 0.00 177.00 175.63 1pcp n GLY 23 N 5.17 0.90 3.28 0.56 0.00 -1.26 -5.11 105.19 108.72 1pcp n GLY 23 Ca 0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.04 -0.61 3.06 -1.01 -4.98 119.36 115.77 1pcp n ILE 24 Ca 0.00 -0.25 -0.08 0.00 -2.50 0.00 0.00 62.75 59.92 1pcp n ILE 24 Cb 0.00 -0.51 -0.03 0.00 0.54 0.00 0.00 39.64 39.64 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 -3.94 1.30 0.00 9.51 -2.24 -1.26 -5.09 114.28 112.56 1pcp n THR 25 Ca 0.02 0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.95 1pcp n THR 25 Cb 0.60 -1.98 0.00 0.00 -2.10 0.00 0.00 70.33 66.85 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 -4.01 0.00 -0.27 3.42 3.41 -1.26 -4.98 113.62 109.94 1pcp n SER 26 Ca -0.13 0.00 -0.05 0.00 -0.26 0.00 0.00 58.87 58.43 1pcp n SER 26 Cb 0.40 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.34 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 -1.39 -0.38 4.04 1.82 -1.99 2.84 116.42 121.37 1pcp h ASP 27 Ca 0.00 0.26 0.11 0.00 -0.39 0.00 0.00 57.03 57.01 1pcp h ASP 27 Cb 0.00 0.68 -0.02 0.00 0.68 0.00 0.00 39.33 40.67 1pcp h ASP 27 CO 0.00 -0.31 0.30 1.56 -1.61 0.00 0.00 179.24 179.19 1pcp h GLN 28 N -0.13 0.00 0.17 0.28 1.08 -2.00 0.14 115.11 114.65 1pcp h GLN 28 Ca 0.25 0.00 -0.33 0.00 -1.45 0.00 0.00 58.65 57.12 1pcp h GLN 28 Cb 0.56 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 28.00 1pcp h GLN 28 CO -0.78 0.00 -1.62 0.00 -0.95 0.00 0.00 178.83 175.47 1pcp n PHE 30 N -3.55 1.50 0.85 0.00 3.72 0.80 -2.58 117.46 118.20 1pcp n PHE 30 Ca -0.20 -1.80 -0.00 0.00 -0.05 0.00 0.00 57.45 55.39 1pcp n PHE 30 Cb 1.07 -0.88 0.03 0.00 -0.94 0.00 0.00 39.48 38.75 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 0.26 0.52 -0.99 4.37 -1.04 -0.60 -3.48 114.28 113.32 1pcp n THR 31 Ca 0.29 -0.12 0.00 0.00 -2.04 0.00 0.00 64.05 62.18 1pcp n THR 31 Cb 0.66 -0.63 0.00 0.00 -1.82 0.00 0.00 70.33 68.54 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 0.15 -0.79 -0.07 8.00 3.41 -1.26 -4.17 113.62 118.89 1pcp n SER 32 Ca 0.03 0.00 -0.07 0.00 -0.26 0.00 0.00 58.87 58.57 1pcp n SER 32 Cb 0.41 -0.23 -0.02 0.00 -0.26 0.00 0.00 64.21 64.10 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 -2.22 -0.50 3.72 5.00 0.00 -1.26 -4.56 105.19 105.38 1pcp n GLY 33 Ca 0.00 -0.27 -0.25 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.53 -0.77 -0.14 0.00 5.36 -1.26 -2.08 117.98 116.55 1pcp s PHE 36 Ca 0.45 1.17 -0.15 0.00 -0.96 0.00 0.00 56.93 57.43 1pcp s PHE 36 Cb 0.00 0.15 -0.05 0.00 -0.34 0.00 0.00 43.02 42.78 1pcp s PHE 36 CO 0.25 -0.57 -0.30 -3.47 -1.46 0.00 0.00 175.22 169.67 1pcp n ASP 37 N 5.38 1.79 -2.96 6.13 -0.08 -0.67 -4.91 116.55 121.23 1pcp n ASP 37 Ca -0.06 0.30 -0.06 0.00 -1.51 0.00 0.00 54.79 53.46 1pcp n ASP 37 Cb 0.50 -0.69 0.01 0.00 2.34 0.00 0.00 41.12 43.28 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 -4.30 -7.80 0.00 1.67 3.41 -1.24 -4.97 113.62 100.40 1pcp n SER 38 Ca -0.12 0.26 0.00 0.00 -0.26 0.00 0.00 58.87 58.75 1pcp n SER 38 Cb 0.45 -5.22 0.00 0.00 -0.26 0.00 0.00 64.21 59.18 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 -0.90 1.71 -3.70 4.33 6.02 -1.26 -5.02 117.38 118.55 1pcp n GLN 39 Ca 0.06 -0.02 -0.23 0.00 -0.01 0.00 0.00 57.00 56.80 1pcp n GLN 39 Cb 0.48 -0.22 -0.17 0.00 1.02 0.00 0.00 30.24 31.35 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 -0.25 0.15 -2.00 5.09 1.01 -1.26 -4.99 120.40 118.15 1pcp s VAL 40 Ca 0.00 0.08 0.14 0.00 0.00 0.00 0.00 61.98 62.20 1pcp s VAL 40 Cb 0.00 -0.48 0.40 0.00 0.00 0.00 0.00 36.38 36.29 1pcp s VAL 40 CO 0.00 0.07 1.35 -0.81 0.00 0.00 0.00 175.10 175.71 1pcp n PRO 41 N 5.21 0.75 -0.07 2.72 -0.04 -1.26 -2.02 135.00 140.28 1pcp n PRO 41 Ca -0.06 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.45 1pcp n PRO 41 Cb 0.49 -1.29 0.08 0.00 -0.04 0.00 0.00 33.50 32.74 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 0.39 1.03 3.21 0.55 0.00 -1.26 -5.02 105.19 104.09 1pcp n GLY 42 Ca 0.10 -0.28 -0.12 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.87 0.08 -0.13 1.61 -7.23 -0.86 -5.06 120.40 107.94 1pcp s VAL 43 Ca 0.14 -1.99 -0.29 0.00 -1.81 0.00 0.00 61.98 58.03 1pcp s VAL 43 Cb 0.09 -2.47 -0.02 0.00 0.56 0.00 0.00 36.38 34.53 1pcp s VAL 43 CO 0.12 -0.05 1.26 -2.16 -0.31 0.00 0.00 175.10 173.96 1pcp s PRO 44 N -4.13 4.26 -0.02 4.82 0.04 -1.26 -4.79 135.00 133.92 1pcp s PRO 44 Ca 0.37 1.68 -0.22 0.00 0.04 0.00 0.00 61.00 62.87 1pcp s PRO 44 Cb 0.07 -3.72 -0.21 0.00 0.04 0.00 0.00 34.50 30.68 1pcp s PRO 44 CO 0.11 -0.65 1.13 -1.49 0.04 0.00 0.00 177.00 176.14 1pcp h TRP 45 N 8.05 0.37 -3.39 0.56 6.55 -1.91 -3.43 115.95 122.75 1pcp h TRP 45 Ca -0.29 -0.17 -0.59 0.00 0.95 0.00 0.00 58.89 58.79 1pcp h TRP 45 Cb 1.12 -0.05 -0.09 0.00 -0.86 0.00 0.00 29.16 29.28 1pcp h TRP 45 CO 0.78 0.92 0.13 0.00 -1.05 0.00 0.00 178.44 179.23 1pcp n PHE 47 N 4.86 -0.21 -4.13 0.00 1.16 -0.89 -1.39 117.46 116.86 1pcp n PHE 47 Ca -0.01 0.00 -0.35 0.00 -1.87 0.00 0.00 57.45 55.22 1pcp n PHE 47 Cb 0.50 0.00 -0.10 0.00 -1.61 0.00 0.00 39.48 38.27 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 -1.99 3.70 0.00 3.97 0.00 -1.26 -1.32 119.74 122.84 1pcp s LYS 48 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 55.97 55.60 1pcp s LYS 48 Cb 0.00 -3.08 0.00 0.00 0.00 0.00 0.00 37.83 34.75 1pcp s LYS 48 CO 0.00 0.39 0.00 -0.35 0.00 0.00 0.00 175.35 175.39 1pcp n PRO 49 N 3.15 0.16 -3.00 1.78 -0.04 -1.26 -4.90 135.00 130.88 1pcp n PRO 49 Ca -0.17 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.12 1pcp n PRO 49 Cb 0.53 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.97 1pcp n PRO 49 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1pcp n LEU 50 N 0.00 1.39 -4.75 1.53 4.77 -1.26 -5.08 117.00 113.61 1pcp n LEU 50 Ca 0.00 -4.71 -0.41 0.00 -0.03 0.00 0.00 56.01 50.86 1pcp n LEU 50 Cb 0.00 0.51 -0.04 0.00 -2.33 0.00 0.00 43.42 41.56 1pcp n LEU 50 CO 0.00 2.09 0.79 -2.16 -1.33 0.00 0.00 177.39 176.79 1pcp s PRO 51 N -2.73 4.62 -0.44 3.23 0.04 -1.26 -4.04 135.00 134.42 1pcp s PRO 51 Ca 0.37 1.76 0.03 0.00 0.04 0.00 0.00 61.00 63.20 1pcp s PRO 51 Cb 0.38 -3.23 0.23 0.00 0.04 0.00 0.00 34.50 31.91 1pcp s PRO 51 CO -0.06 0.15 0.95 0.00 0.04 0.00 0.00 177.00 178.09 1pcp n ALA 52 N 1.79 -2.35 0.00 8.56 0.00 -1.26 -5.01 120.51 122.24 1pcp n ALA 52 Ca 0.01 -0.86 0.00 0.00 0.00 0.00 0.00 53.44 52.59 1pcp n ALA 52 Cb 0.45 -2.07 0.00 0.00 0.00 0.00 0.00 19.45 17.84 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 2.09 0.00 -0.01 0.00 1.13 -1.26 -4.13 117.38 115.20 1pcp n GLN 53 Ca 0.10 0.00 0.07 0.00 -1.94 0.00 0.00 57.00 55.23 1pcp n GLN 53 Cb 0.63 0.00 0.42 0.00 0.11 0.00 0.00 30.24 31.40 1pcp n GLN 53 CO 0.00 0.00 0.00 -1.91 -1.44 0.00 0.00 177.06 173.71 1pcp n GLU 54 N -1.43 1.04 -3.70 -1.09 2.13 -1.26 -4.78 120.64 111.56 1pcp n GLU 54 Ca 0.00 -0.07 -0.13 0.00 0.66 0.00 0.00 57.16 57.63 1pcp n GLU 54 Cb 0.00 -1.23 -0.07 0.00 0.27 0.00 0.00 31.44 30.41 1pcp n GLU 54 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 1pcp s SER 55 N -1.44 -0.24 -0.24 4.31 0.01 -1.26 -5.04 113.70 109.80 1pcp s SER 55 Ca 0.22 -0.00 -0.02 0.00 1.31 0.00 0.00 55.95 57.45 1pcp s SER 55 Cb 0.10 0.39 0.05 0.00 0.21 0.00 0.00 66.02 66.78 1pcp s SER 55 CO 0.17 -0.61 2.49 -1.84 0.41 0.00 0.00 173.24 173.85 1pcp n GLU 56 N 0.68 1.84 -0.05 12.44 0.28 -1.26 -3.77 120.64 130.80 1pcp n GLU 56 Ca -0.19 -1.38 -0.05 0.00 -0.16 0.00 0.00 57.16 55.38 1pcp n GLU 56 Cb 0.59 -1.70 -0.08 0.00 1.43 0.00 0.00 31.44 31.67 1pcp n GLU 56 CO 0.00 0.00 0.00 -0.85 -0.16 0.00 0.00 177.13 176.12 1pcp n GLU 57 N 1.07 2.23 0.00 3.44 0.28 -1.26 -4.80 120.64 121.60 1pcp n GLU 57 Ca 0.32 -0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.31 1pcp n GLU 57 Cb 0.61 -1.27 0.00 0.00 1.43 0.00 0.00 31.44 32.21 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 -1.54 0.00 -0.16 0.00 0.31 -1.26 -4.69 118.33 110.99 1pcp n VAL 59 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1pcp n VAL 59 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 1pcp n VAL 59 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 1pcp n MET 60 N 4.16 -0.44 -2.26 5.55 2.81 -1.26 -4.87 117.12 120.80 1pcp n MET 60 Ca 0.00 0.33 -0.25 0.00 -1.81 0.00 0.00 57.70 55.97 1pcp n MET 60 Cb 0.00 -0.38 0.06 0.00 -0.71 0.00 0.00 33.22 32.19 1pcp n MET 60 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 1pcp s GLN 61 N -5.40 2.27 0.49 0.03 -0.21 -1.26 -4.84 119.66 110.74 1pcp s GLN 61 Ca 0.00 -0.31 0.26 0.00 0.02 0.00 0.00 55.36 55.33 1pcp s GLN 61 Cb 0.00 -2.21 1.32 0.00 1.00 0.00 0.00 33.01 33.12 1pcp s GLN 61 CO 0.00 -1.15 1.87 -0.39 -2.12 0.00 0.00 175.29 173.50 1pcp h VAL 62 N -0.50 0.59 -1.47 1.09 -1.51 -1.97 0.25 116.25 112.73 1pcp h VAL 62 Ca -0.44 -0.06 -0.67 0.00 -1.23 0.00 0.00 66.70 64.30 1pcp h VAL 62 Cb 1.31 0.41 -0.25 0.00 -2.13 0.00 0.00 31.29 30.63 1pcp h VAL 62 CO 0.59 0.03 0.86 -1.54 -1.23 0.00 0.00 177.57 176.28 1pcp n SER 63 N -4.38 7.33 0.00 4.19 3.41 -1.26 -4.11 113.62 118.81 1pcp n SER 63 Ca 0.19 -3.67 0.00 0.00 -0.26 0.00 0.00 58.87 55.14 1pcp n SER 63 Cb 0.87 -1.07 0.00 0.00 -0.26 0.00 0.00 64.21 63.75 1pcp n SER 63 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1pcp n ALA 64 N -0.34 1.99 -1.64 7.33 0.00 0.87 -5.09 120.51 123.65 1pcp n ALA 64 Ca 0.54 0.00 -0.50 0.00 0.00 0.00 0.00 53.44 53.48 1pcp n ALA 64 Cb 0.42 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.82 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 -2.05 1.63 -4.46 0.00 1.74 -1.10 -4.95 116.66 107.46 1pcp n ARG 65 Ca 0.00 0.59 -0.34 0.00 -0.77 0.00 0.00 57.85 57.33 1pcp n ARG 65 Cb 0.00 -2.30 -0.13 0.00 -1.02 0.00 0.00 32.46 29.01 1pcp n ARG 65 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1pcp s LYS 66 N 1.08 3.52 -0.44 5.56 2.36 -1.26 -4.71 119.74 125.85 1pcp s LYS 66 Ca 0.84 -0.60 -0.39 0.00 -2.55 0.00 0.00 55.97 53.27 1pcp s LYS 66 Cb -0.83 -2.83 -0.17 0.00 -1.05 0.00 0.00 37.83 32.96 1pcp s LYS 66 CO 0.45 0.16 1.86 0.27 1.55 0.00 0.00 175.35 179.64 1pcp n ASN 67 N 3.74 0.67 -3.75 1.43 0.23 -1.26 -3.37 115.26 112.93 1pcp n ASN 67 Ca -0.18 0.61 -0.29 0.00 -0.53 0.00 0.00 54.58 54.19 1pcp n ASN 67 Cb 0.52 -0.79 -0.15 0.00 -2.08 0.00 0.00 39.78 37.28 1pcp n ASN 67 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1pcp n GLY 69 N 4.89 0.13 3.41 0.00 0.00 -1.26 -3.79 105.19 108.57 1pcp n GLY 69 Ca -0.05 -1.95 -0.27 0.00 0.00 0.00 0.00 46.02 43.75 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 2.25 -2.00 1.61 1.13 -1.26 -5.00 117.35 114.08 1pcp s TYR 70 Ca 0.00 -0.37 0.04 0.00 -1.41 0.00 0.00 57.07 55.33 1pcp s TYR 70 Cb 0.00 -1.14 0.25 0.00 -1.10 0.00 0.00 41.96 39.97 1pcp s TYR 70 CO 0.00 0.45 0.93 -0.35 -2.51 0.00 0.00 175.55 174.07 1pcp n PRO 71 N 0.40 0.75 -0.00 -3.49 -0.04 -1.26 -2.13 135.00 129.23 1pcp n PRO 71 Ca -0.14 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.38 1pcp n PRO 71 Cb 0.55 -1.09 -0.08 0.00 -0.04 0.00 0.00 33.50 32.85 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 0.29 -0.33 3.55 0.55 0.00 -1.26 -5.02 105.19 102.97 1pcp n GLY 72 Ca 0.03 -0.27 -0.29 0.00 0.00 0.00 0.00 46.02 45.48 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 -1.67 0.00 -4.39 -0.61 3.06 -0.90 -5.05 119.36 109.79 1pcp n ILE 73 Ca -0.01 -0.28 -0.19 0.00 -2.50 0.00 0.00 62.75 59.78 1pcp n ILE 73 Cb 0.24 -1.00 -0.05 0.00 0.54 0.00 0.00 39.64 39.38 1pcp n ILE 73 CO 0.00 0.00 0.00 -1.20 -2.50 0.00 0.00 176.55 172.85 1pcp n SER 74 N -4.71 1.74 -4.79 9.51 7.64 -1.26 -5.02 113.62 116.73 1pcp n SER 74 Ca 0.06 -2.47 -0.29 0.00 1.01 0.00 0.00 58.87 57.18 1pcp n SER 74 Cb 0.53 0.54 0.13 0.00 -1.01 0.00 0.00 64.21 64.40 1pcp n SER 74 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1pcp s PRO 75 N -3.11 1.31 0.00 1.43 0.04 -1.26 -1.47 135.00 131.94 1pcp s PRO 75 Ca 0.09 0.35 0.00 0.00 0.04 0.00 0.00 61.00 61.48 1pcp s PRO 75 Cb 0.00 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.69 1pcp s PRO 75 CO 0.07 -2.09 0.00 -1.91 0.04 0.00 0.00 177.00 173.10 1pcp n GLU 76 N -3.70 0.00 -0.03 4.56 0.00 -1.26 -4.15 120.64 116.06 1pcp n GLU 76 Ca 0.07 0.00 -0.13 0.00 0.00 0.00 0.00 57.16 57.10 1pcp n GLU 76 Cb 0.59 0.00 -0.11 0.00 0.00 0.00 0.00 31.44 31.92 1pcp n GLU 76 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.13 176.69 1pcp h ASP 77 N 0.00 -0.02 -1.03 4.31 3.32 -1.89 1.58 116.42 122.69 1pcp h ASP 77 Ca 0.00 -0.65 0.30 0.00 0.02 0.00 0.00 57.03 56.70 1pcp h ASP 77 Cb 0.00 0.01 -0.13 0.00 0.22 0.00 0.00 39.33 39.42 1pcp h ASP 77 CO 0.00 0.65 0.61 0.00 -1.72 0.00 0.00 179.24 178.78 1pcp h ALA 79 N 1.77 0.42 -0.22 0.00 0.00 -1.57 -2.08 119.26 117.57 1pcp h ALA 79 Ca 0.70 -1.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.31 1pcp h ALA 79 Cb 1.58 0.50 -0.00 0.00 0.00 0.00 0.00 17.79 19.86 1pcp h ALA 79 CO -0.52 1.28 0.01 0.00 0.00 0.00 0.00 179.25 180.02 1pcp n ALA 80 N -2.79 3.05 0.00 0.00 0.00 0.54 -3.88 120.51 117.43 1pcp n ALA 80 Ca -0.23 -0.74 0.00 0.00 0.00 0.00 0.00 53.44 52.47 1pcp n ALA 80 Cb 1.05 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.22 0.00 0.00 0.00 5.12 1.20 -4.84 116.66 118.36 1pcp n ARG 81 Ca 0.11 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.03 1pcp n ARG 81 Cb 0.62 -0.31 0.00 0.00 -1.16 0.00 0.00 32.46 31.61 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 -2.58 0.00 0.00 0.55 3.02 -0.79 -5.05 115.26 110.41 1pcp n ASN 82 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1pcp n ASN 82 Cb 0.22 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.39 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 -3.02 0.01 -0.35 0.00 2.19 -1.22 -1.99 117.98 113.60 1pcp s PHE 85 Ca 0.64 -0.70 0.01 0.00 0.33 0.00 0.00 56.93 57.22 1pcp s PHE 85 Cb -0.18 -0.69 0.11 0.00 -1.31 0.00 0.00 43.02 40.95 1pcp s PHE 85 CO 0.57 -0.88 0.12 0.45 1.83 0.00 0.00 175.22 177.31 1pcp s SER 86 N 2.01 4.14 0.00 6.13 0.15 0.19 -4.92 113.70 121.39 1pcp s SER 86 Ca 0.11 -2.03 0.27 0.00 0.70 0.00 0.00 55.95 55.00 1pcp s SER 86 Cb -0.16 -1.11 0.93 0.00 -1.71 0.00 0.00 66.02 63.97 1pcp s SER 86 CO -0.28 -0.37 1.67 -0.90 1.20 0.00 0.00 173.24 174.57 1pcp n ASP 87 N 4.36 1.29 -0.44 5.45 5.75 -1.26 -4.13 116.55 127.58 1pcp n ASP 87 Ca 0.02 -1.24 0.35 0.00 -0.01 0.00 0.00 54.79 53.91 1pcp n ASP 87 Cb 0.40 0.05 0.56 0.00 -1.03 0.00 0.00 41.12 41.10 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 -0.18 -0.11 -5.09 2.12 5.66 -1.26 -3.73 114.28 111.70 1pcp n THR 88 Ca 0.16 1.25 -0.31 0.00 -3.05 0.00 0.00 64.05 62.11 1pcp n THR 88 Cb 0.35 -2.07 -0.17 0.00 -1.55 0.00 0.00 70.33 66.89 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 1.88 0.47 1.09 1.09 -1.26 -5.12 121.20 114.71 1pcp s ILE 89 Ca -0.05 -0.91 -0.21 0.00 -1.10 0.00 0.00 60.65 58.38 1pcp s ILE 89 Cb 0.22 -1.64 -0.09 0.00 -1.06 0.00 0.00 42.46 39.90 1pcp s ILE 89 CO 0.64 0.52 1.04 -2.16 -0.10 0.00 0.00 174.94 174.88 1pcp s PRO 90 N 0.41 3.86 0.00 2.79 0.04 -1.24 -4.05 135.00 136.80 1pcp s PRO 90 Ca -0.18 1.38 0.00 0.00 0.04 0.00 0.00 61.00 62.24 1pcp s PRO 90 Cb -0.18 -2.16 0.00 0.00 0.04 0.00 0.00 34.50 32.20 1pcp s PRO 90 CO 0.08 -0.38 0.00 0.39 0.04 0.00 0.00 177.00 177.12 1pcp n GLU 91 N -0.82 0.00 -0.97 4.56 1.02 -1.26 -4.98 120.64 118.18 1pcp n GLU 91 Ca 0.09 0.00 -0.36 0.00 -0.02 0.00 0.00 57.16 56.87 1pcp n GLU 91 Cb 0.52 0.00 0.04 0.00 -0.02 0.00 0.00 31.44 31.98 1pcp n GLU 91 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 1pcp n VAL 92 N 0.00 0.00 -2.31 2.62 0.24 -1.26 -4.68 118.33 112.95 1pcp n VAL 92 Ca 0.00 -0.40 -0.36 0.00 -2.04 0.00 0.00 64.34 61.54 1pcp n VAL 92 Cb 0.00 0.00 -0.04 0.00 -1.47 0.00 0.00 33.84 32.33 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 -1.95 3.04 0.25 7.34 0.04 -1.26 -4.81 135.00 137.65 1pcp s PRO 93 Ca 0.38 -0.48 -0.03 0.00 0.04 0.00 0.00 61.00 60.92 1pcp s PRO 93 Cb -0.13 -4.96 0.49 0.00 0.04 0.00 0.00 34.50 29.94 1pcp s PRO 93 CO 0.78 -2.69 1.74 -1.49 0.04 0.00 0.00 177.00 175.39 1pcp h TRP 94 N 11.04 0.63 -3.47 0.56 6.55 -1.84 -3.32 115.95 126.11 1pcp h TRP 94 Ca 0.04 0.04 -0.69 0.00 0.95 0.00 0.00 58.89 59.22 1pcp h TRP 94 Cb 1.03 -0.16 -0.18 0.00 -0.86 0.00 0.00 29.16 28.99 1pcp h TRP 94 CO 1.21 0.11 -0.10 0.00 -1.05 0.00 0.00 178.44 178.61 1pcp n PHE 96 N 5.82 0.04 -3.79 0.00 -1.74 -0.84 0.58 117.46 117.52 1pcp n PHE 96 Ca -0.06 -0.66 -0.33 0.00 -0.56 0.00 0.00 57.45 55.83 1pcp n PHE 96 Cb 0.47 -0.00 -0.05 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 -1.92 3.54 0.87 2.97 0.40 -1.22 0.82 117.98 123.43 1pcp s PHE 97 Ca 0.05 0.47 -0.12 0.00 -0.60 0.00 0.00 56.93 56.73 1pcp s PHE 97 Cb 0.00 -1.92 0.11 0.00 0.51 0.00 0.00 43.02 41.72 1pcp s PHE 97 CO 0.04 0.57 1.12 -1.25 0.70 0.00 0.00 175.22 176.40 1pcp s PRO 98 N -2.16 1.51 0.14 0.24 0.04 -1.26 -4.78 135.00 128.73 1pcp s PRO 98 Ca 0.32 0.43 0.08 0.00 0.04 0.00 0.00 61.00 61.87 1pcp s PRO 98 Cb -0.13 -1.87 -0.04 0.00 0.04 0.00 0.00 34.50 32.50 1pcp s PRO 98 CO 0.21 -1.97 -0.10 -1.64 0.04 0.00 0.00 177.00 173.55 1pcp s MET 99 N -5.23 2.10 -0.12 4.56 -1.94 -1.21 -5.10 119.30 112.35 1pcp s MET 99 Ca 0.63 -1.13 0.03 0.00 -1.71 0.00 0.00 55.69 53.50 1pcp s MET 99 Cb -0.15 -2.24 0.00 0.00 2.01 0.00 0.00 34.83 34.46 1pcp s MET 99 CO 0.54 0.47 -0.22 0.45 -0.01 0.00 0.00 175.02 176.25 1pcp s SER 100 N -2.49 3.18 0.00 3.03 0.15 -1.26 -4.98 113.70 111.33 1pcp s SER 100 Ca 0.23 -0.56 0.00 0.00 0.70 0.00 0.00 55.95 56.31 1pcp s SER 100 Cb -0.10 -1.45 0.00 0.00 -1.71 0.00 0.00 66.02 62.76 1pcp s SER 100 CO 0.14 0.12 0.00 1.33 1.20 0.00 0.00 173.24 176.03 1pcp n VAL 101 N 3.82 0.00 -1.22 4.45 0.24 -1.26 -5.05 118.33 119.31 1pcp n VAL 101 Ca -0.19 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.11 1pcp n VAL 101 Cb 0.52 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.89 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 -1.16 7.34 2.13 -1.26 -4.94 120.64 122.75 1pcp n GLU 102 Ca 0.00 0.00 -0.05 0.00 0.66 0.00 0.00 57.16 57.77 1pcp n GLU 102 Cb 0.00 -1.94 -0.03 0.00 0.27 0.00 0.00 31.44 29.74 1pcp n GLU 102 CO 0.00 0.00 0.00 -0.40 -0.41 0.00 0.00 177.13 176.32 1pcp n ASP 103 N 1.12 -0.87 0.31 4.31 5.75 -1.26 -4.99 116.55 120.92 1pcp n ASP 103 Ca 0.00 -1.67 -0.15 0.00 -0.01 0.00 0.00 54.79 52.96 1pcp n ASP 103 Cb 0.29 0.29 -0.08 0.00 -1.03 0.00 0.00 41.12 40.60 1pcp n ASP 103 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1pcp n HIS 105 N -5.34 -2.76 1.05 0.00 1.44 -1.26 -4.64 115.22 103.71 1pcp n HIS 105 Ca -0.11 1.49 0.12 0.00 -2.01 0.00 0.00 57.72 57.21 1pcp n HIS 105 Cb 0.35 -2.51 0.14 0.00 0.12 0.00 0.00 29.99 28.08 1pcp n HIS 105 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19