#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fpr n ASP 8 N 0.00 0.00 -4.69 1.61 -0.08 -1.26 -5.11 116.55 107.03 3fpr n ASP 8 Ca 0.00 0.00 -0.39 0.00 -1.51 0.00 0.00 54.79 52.89 3fpr n ASP 8 Cb 0.00 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.40 3fpr n ASP 8 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 3fpr s LEU 9 N 0.00 4.20 0.00 -2.67 1.43 -1.26 -4.92 118.68 115.46 3fpr s LEU 9 Ca 0.00 0.79 0.00 0.00 -1.03 0.00 0.00 54.13 53.89 3fpr s LEU 9 Cb 0.00 -2.77 0.00 0.00 0.03 0.00 0.00 46.19 43.45 3fpr s LEU 9 CO 0.00 -0.13 0.00 0.61 0.23 0.00 0.00 176.35 177.06 3fpr n GLY 10 N 3.60 -0.15 0.00 -3.19 0.00 -1.26 -4.99 105.19 99.21 3fpr n GLY 10 Ca -0.05 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 44.97 3fpr n GLY 10 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fpr n GLY 11 N 0.00 1.67 3.67 -0.02 0.00 -1.26 -5.06 105.19 104.19 3fpr n GLY 11 Ca 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.52 3fpr n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fpr s PRO 13 N 2.72 2.07 -0.06 0.00 0.04 -1.26 -5.05 135.00 133.46 3fpr s PRO 13 Ca 0.89 0.09 -0.17 0.00 0.04 0.00 0.00 61.00 61.85 3fpr s PRO 13 Cb -0.78 -1.99 -0.05 0.00 0.04 0.00 0.00 34.50 31.72 3fpr s PRO 13 CO 0.50 -1.50 0.46 -0.06 0.04 0.00 0.00 177.00 176.44 3fpr s PHE 14 N -3.51 3.61 0.40 0.56 0.40 -1.26 -5.07 117.98 113.10 3fpr s PHE 14 Ca 0.61 0.95 -0.26 0.00 -0.60 0.00 0.00 56.93 57.63 3fpr s PHE 14 Cb -0.11 -2.46 -0.09 0.00 0.51 0.00 0.00 43.02 40.87 3fpr s PHE 14 CO 0.49 0.36 1.33 -0.51 0.70 0.00 0.00 175.22 177.58 3fpr s LEU 15 N -0.08 4.23 -0.01 -0.37 1.43 -1.26 -4.99 118.68 117.64 3fpr s LEU 15 Ca 0.25 2.71 0.05 0.00 -1.03 0.00 0.00 54.13 56.11 3fpr s LEU 15 Cb -0.16 -3.86 -0.01 0.00 0.03 0.00 0.00 46.19 42.19 3fpr s LEU 15 CO 0.12 -0.85 -0.16 0.68 0.23 0.00 0.00 176.35 176.37 3fpr s VAL 16 N -1.23 1.26 0.60 -1.59 -7.23 -1.26 -3.06 120.40 107.90 3fpr s VAL 16 Ca 0.56 -0.73 -0.03 0.00 -1.81 0.00 0.00 61.98 59.97 3fpr s VAL 16 Cb -0.39 -1.06 0.03 0.00 0.56 0.00 0.00 36.38 35.52 3fpr s VAL 16 CO 0.51 0.32 0.88 0.00 -0.31 0.00 0.00 175.10 176.50 3fpr s ALA 17 N -0.43 3.48 0.06 1.32 0.00 -0.14 -4.83 121.76 121.22 3fpr s ALA 17 Ca 0.06 -1.01 0.01 0.00 0.00 0.00 0.00 51.96 51.02 3fpr s ALA 17 Cb -0.06 -2.39 -0.03 0.00 0.00 0.00 0.00 23.12 20.64 3fpr s ALA 17 CO -0.00 -0.92 -0.06 -1.21 0.00 0.00 0.00 175.76 173.57 3fpr s GLU 18 N -4.97 0.62 0.83 0.00 2.02 -0.62 -0.95 118.70 115.63 3fpr s GLU 18 Ca 0.57 -1.02 -0.14 0.00 0.02 0.00 0.00 54.97 54.39 3fpr s GLU 18 Cb -0.10 -0.11 0.19 0.00 0.10 0.00 0.00 34.13 34.21 3fpr s GLU 18 CO 0.42 -0.02 1.08 0.27 0.02 0.00 0.00 175.26 177.04 3fpr n ASN 19 N 0.70 -0.12 -0.02 -0.19 0.23 -0.41 -0.24 115.26 115.21 3fpr n ASN 19 Ca -0.18 -1.36 0.08 0.00 -0.53 0.00 0.00 54.58 52.59 3fpr n ASN 19 Cb 0.58 -0.84 0.48 0.00 -2.08 0.00 0.00 39.78 37.91 3fpr n ASN 19 CO 0.00 0.00 0.00 0.50 -0.93 0.00 0.00 177.26 176.83 3fpr h LYS 20 N 0.00 0.43 -0.13 -3.83 3.64 -1.92 -2.18 116.57 112.57 3fpr h LYS 20 Ca -0.36 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.00 3fpr h LYS 20 Cb 0.99 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.71 3fpr h LYS 20 CO 0.25 0.29 0.00 0.25 -2.27 0.00 0.00 179.45 177.96 3fpr n THR 21 N -4.48 0.15 0.00 1.00 -2.24 -1.26 -4.96 114.28 102.50 3fpr n THR 21 Ca 0.06 -0.47 0.00 0.00 -2.27 0.00 0.00 64.05 61.37 3fpr n THR 21 Cb 0.21 0.94 0.00 0.00 -2.10 0.00 0.00 70.33 69.39 3fpr n THR 21 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fpr n GLY 22 N 1.31 0.86 3.66 3.38 0.00 -0.82 -5.07 105.19 108.51 3fpr n GLY 22 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 3fpr n GLY 22 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3fpr s TYR 23 N -2.00 2.17 0.22 1.61 6.14 -1.26 -4.74 117.35 119.49 3fpr s TYR 23 Ca 0.00 0.36 -0.18 0.00 0.64 0.00 0.00 57.07 57.89 3fpr s TYR 23 Cb 0.00 -3.83 -0.08 0.00 0.42 0.00 0.00 41.96 38.46 3fpr s TYR 23 CO 0.00 -3.42 0.70 -1.25 0.64 0.00 0.00 175.55 172.22 3fpr s PRO 24 N 3.84 4.19 -0.02 4.97 0.04 -1.26 -1.29 135.00 145.48 3fpr s PRO 24 Ca 0.70 0.80 0.00 0.00 0.04 0.00 0.00 61.00 62.54 3fpr s PRO 24 Cb -0.31 -2.84 0.02 0.00 0.04 0.00 0.00 34.50 31.40 3fpr s PRO 24 CO 0.27 0.38 0.01 0.99 0.04 0.00 0.00 177.00 178.69 3fpr s THR 25 N -1.56 0.07 0.66 1.26 2.01 -0.13 -4.99 115.64 112.96 3fpr s THR 25 Ca 0.43 0.09 -0.15 0.00 0.31 0.00 0.00 61.69 62.37 3fpr s THR 25 Cb -0.16 -0.15 -0.00 0.00 0.01 0.00 0.00 72.50 72.20 3fpr s THR 25 CO 0.20 0.09 1.12 0.27 -0.69 0.00 0.00 174.62 175.61 3fpr s ILE 26 N 0.72 3.16 -1.79 1.82 -4.36 -1.26 -0.97 121.20 118.52 3fpr s ILE 26 Ca -0.06 0.55 0.14 0.00 -0.26 0.00 0.00 60.65 61.02 3fpr s ILE 26 Cb -0.09 -3.08 0.12 0.00 1.25 0.00 0.00 42.46 40.65 3fpr s ILE 26 CO -0.02 -0.32 0.96 1.33 0.24 0.00 0.00 174.94 177.14 3fpr n VAL 27 N -2.36 0.02 -3.64 8.37 0.24 -1.17 -1.03 118.33 118.77 3fpr n VAL 27 Ca 0.11 -0.51 -0.15 0.00 -2.04 0.00 0.00 64.34 61.75 3fpr n VAL 27 Cb 0.52 1.28 -0.07 0.00 -1.47 0.00 0.00 33.84 34.10 3fpr n VAL 27 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3fpr s ALA 28 N -1.20 -1.25 -2.63 2.33 0.00 -1.26 -0.56 121.76 117.20 3fpr s ALA 28 Ca 0.17 0.73 0.21 0.00 0.00 0.00 0.00 51.96 53.07 3fpr s ALA 28 Cb 0.12 0.11 0.18 0.00 0.00 0.00 0.00 23.12 23.53 3fpr s ALA 28 CO 0.18 -0.35 1.18 0.00 0.00 0.00 0.00 175.76 176.77 3fpr s LYS 30 N -1.75 1.05 0.16 0.00 -2.85 -1.22 -0.77 119.74 114.36 3fpr s LYS 30 Ca 0.25 -0.64 -0.17 0.00 -1.00 0.00 0.00 55.97 54.41 3fpr s LYS 30 Cb 0.18 0.46 0.03 0.00 -2.06 0.00 0.00 37.83 36.44 3fpr s LYS 30 CO 0.27 -0.40 0.48 1.14 0.10 0.00 0.00 175.35 176.93 3fpr s GLN 31 N -3.56 1.24 -0.23 1.78 -2.07 -0.64 -4.98 119.66 111.21 3fpr s GLN 31 Ca 0.01 -0.77 -0.09 0.00 -1.82 0.00 0.00 55.36 52.69 3fpr s GLN 31 Cb 0.01 0.50 -0.04 0.00 -1.09 0.00 0.00 33.01 32.39 3fpr s GLN 31 CO -0.10 -0.51 0.12 0.34 -1.32 0.00 0.00 175.29 173.81 3fpr s ASP 32 N -2.84 5.80 -0.37 12.60 2.15 -1.26 -0.92 116.67 131.83 3fpr s ASP 32 Ca 0.06 0.04 0.01 0.00 0.43 0.00 0.00 52.55 53.09 3fpr s ASP 32 Cb 0.00 -2.03 0.10 0.00 -0.30 0.00 0.00 42.92 40.69 3fpr s ASP 32 CO -0.07 0.07 0.11 0.00 -0.17 0.00 0.00 175.17 175.11 3fpr n ASN 34 N 4.38 -4.11 0.00 0.00 5.15 -1.26 -1.01 115.26 118.40 3fpr n ASN 34 Ca 0.02 -0.88 0.00 0.00 -0.60 0.00 0.00 54.58 53.12 3fpr n ASN 34 Cb 0.42 -3.43 0.00 0.00 -0.53 0.00 0.00 39.78 36.24 3fpr n ASN 34 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3fpr n GLY 35 N -1.58 2.93 3.67 8.20 0.00 -1.26 -4.96 105.19 112.19 3fpr n GLY 35 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 3fpr n GLY 35 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3fpr s THR 36 N -2.34 4.97 0.14 2.61 2.01 -0.18 -5.05 115.64 117.80 3fpr s THR 36 Ca 0.00 1.36 -0.29 0.00 0.31 0.00 0.00 61.69 63.06 3fpr s THR 36 Cb 0.00 -4.02 -0.07 0.00 0.01 0.00 0.00 72.50 68.43 3fpr s THR 36 CO 0.00 0.09 0.93 -0.89 -0.69 0.00 0.00 174.62 174.06 3fpr s THR 37 N 1.93 4.40 -0.10 -0.82 2.01 -1.26 -0.44 115.64 121.37 3fpr s THR 37 Ca 0.33 2.02 0.03 0.00 0.31 0.00 0.00 61.69 64.38 3fpr s THR 37 Cb -0.16 -4.30 -0.00 0.00 0.01 0.00 0.00 72.50 68.05 3fpr s THR 37 CO 0.11 0.38 -0.22 -1.61 -0.69 0.00 0.00 174.62 172.59 3fpr s GLU 38 N -0.36 3.06 -0.08 4.92 2.02 -0.10 -4.97 118.70 123.20 3fpr s GLU 38 Ca 0.44 -0.84 0.03 0.00 0.02 0.00 0.00 54.97 54.62 3fpr s GLU 38 Cb -0.24 -2.35 0.01 0.00 0.10 0.00 0.00 34.13 31.65 3fpr s GLU 38 CO 0.30 0.21 -0.18 0.99 0.02 0.00 0.00 175.26 176.60 3fpr s THR 39 N 0.28 1.56 0.57 3.63 2.01 -1.26 -1.62 115.64 120.81 3fpr s THR 39 Ca -0.16 -0.73 -0.17 0.00 0.31 0.00 0.00 61.69 60.94 3fpr s THR 39 Cb -0.17 -1.38 -0.04 0.00 0.01 0.00 0.00 72.50 70.92 3fpr s THR 39 CO 0.08 0.45 1.09 0.00 -0.69 0.00 0.00 174.62 175.54 3fpr s ALA 40 N 0.49 2.69 0.37 7.40 0.00 0.05 -4.97 121.76 127.78 3fpr s ALA 40 Ca -0.16 0.59 -0.28 0.00 0.00 0.00 0.00 51.96 52.11 3fpr s ALA 40 Cb -0.17 -3.29 -0.11 0.00 0.00 0.00 0.00 23.12 19.55 3fpr s ALA 40 CO 0.06 -0.81 1.45 -2.30 0.00 0.00 0.00 175.76 174.16 3fpr n PRO 41 N -1.71 2.57 -1.67 0.00 -0.02 -1.26 -4.64 135.00 128.27 3fpr n PRO 41 Ca 0.10 0.90 -0.43 0.00 -2.02 0.00 0.00 63.50 62.05 3fpr n PRO 41 Cb 0.52 -2.60 -0.01 0.00 -0.02 0.00 0.00 33.50 31.39 3fpr n PRO 41 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3fpr n ASN 42 N 0.56 2.43 0.00 2.55 3.02 -1.26 -2.12 115.26 120.44 3fpr n ASN 42 Ca 0.02 1.20 0.00 0.00 -0.03 0.00 0.00 54.58 55.77 3fpr n ASN 42 Cb 0.38 -1.44 0.00 0.00 -0.61 0.00 0.00 39.78 38.11 3fpr n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3fpr n GLY 43 N 0.92 1.37 3.74 7.41 0.00 0.29 -4.95 105.19 113.97 3fpr n GLY 43 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 3fpr n GLY 43 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3fpr s THR 44 N -2.47 2.29 0.33 2.61 2.01 -0.90 -4.60 115.64 114.91 3fpr s THR 44 Ca 0.00 0.23 -0.29 0.00 0.31 0.00 0.00 61.69 61.95 3fpr s THR 44 Cb 0.00 -3.15 -0.11 0.00 0.01 0.00 0.00 72.50 69.25 3fpr s THR 44 CO 0.00 0.03 1.41 -0.60 -0.69 0.00 0.00 174.62 174.78 3fpr s ARG 45 N -0.01 4.23 0.20 4.92 3.52 -1.26 -0.86 118.95 129.70 3fpr s ARG 45 Ca 0.65 2.39 -0.08 0.00 -0.13 0.00 0.00 55.73 58.56 3fpr s ARG 45 Cb -0.46 -3.03 -0.02 0.00 -1.56 0.00 0.00 34.95 29.88 3fpr s ARG 45 CO 0.42 -0.38 0.30 0.00 -0.81 0.00 0.00 175.30 174.83 3fpr s PHE 47 N -4.04 2.98 -1.35 0.00 2.99 -0.20 -0.30 117.98 118.06 3fpr s PHE 47 Ca 0.25 -0.28 -0.08 0.00 0.00 0.00 0.00 56.93 56.83 3fpr s PHE 47 Cb 0.03 -1.89 -0.00 0.00 0.00 0.00 0.00 43.02 41.16 3fpr s PHE 47 CO 0.07 0.02 2.75 -1.13 -0.00 0.00 0.00 175.22 176.93 3fpr n SER 48 N 3.23 8.16 -0.01 1.36 3.41 -0.56 -4.12 113.62 125.09 3fpr n SER 48 Ca -0.18 -2.84 0.01 0.00 -0.26 0.00 0.00 58.87 55.60 3fpr n SER 48 Cb 0.53 -1.45 -0.04 0.00 -0.26 0.00 0.00 64.21 62.99 3fpr n SER 48 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 3fpr n ILE 49 N 2.60 0.11 0.00 -1.33 -5.35 -1.25 -4.87 119.36 109.26 3fpr n ILE 49 Ca 0.69 -0.14 0.00 0.00 -0.27 0.00 0.00 62.75 63.03 3fpr n ILE 49 Cb 0.29 -0.06 0.00 0.00 -1.74 0.00 0.00 39.64 38.13 3fpr n ILE 49 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3fpr n GLY 50 N 2.40 -2.17 0.31 3.28 0.00 0.28 -2.58 105.19 106.72 3fpr n GLY 50 Ca -0.03 -1.49 0.01 0.00 0.00 0.00 0.00 46.02 44.51 3fpr n GLY 50 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3fpr h ASP 51 N 0.00 0.78 -0.37 1.61 3.32 -1.97 -1.81 116.42 117.98 3fpr h ASP 51 Ca 0.00 0.02 0.04 0.00 0.02 0.00 0.00 57.03 57.11 3fpr h ASP 51 Cb 0.00 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 39.38 3fpr h ASP 51 CO 0.00 0.49 0.15 -0.33 -1.72 0.00 0.00 179.24 177.83 3fpr h GLU 52 N 0.91 0.30 -0.55 3.56 3.07 -1.96 -1.86 114.58 118.05 3fpr h GLU 52 Ca 0.37 -0.02 0.02 0.00 -0.50 0.00 0.00 59.36 59.23 3fpr h GLU 52 Cb 0.22 -0.07 -0.03 0.00 -0.84 0.00 0.00 28.75 28.02 3fpr h GLU 52 CO -0.19 0.20 0.34 0.78 -1.40 0.00 0.00 179.01 178.74 3fpr h GLY 53 N 0.31 0.78 0.98 -3.84 0.00 -1.08 -2.02 103.07 98.19 3fpr h GLY 53 Ca 0.17 -0.26 -0.01 0.00 0.00 0.00 0.00 47.33 47.22 3fpr h GLY 53 CO -0.16 0.24 0.27 -2.00 0.00 0.00 0.00 176.54 174.88 3fpr h LEU 54 N 0.69 0.65 -1.68 3.11 7.12 -1.08 -2.90 115.31 121.22 3fpr h LEU 54 Ca 0.21 -0.11 -0.04 0.00 0.13 0.00 0.00 57.88 58.08 3fpr h LEU 54 Cb -0.02 -0.17 -0.01 0.00 -0.53 0.00 0.00 40.66 39.94 3fpr h LEU 54 CO -0.08 0.57 -0.18 0.03 -0.13 0.00 0.00 178.44 178.65 3fpr h ARG 55 N 0.68 0.00 0.00 1.25 3.08 -0.89 -1.38 114.38 117.13 3fpr h ARG 55 Ca 0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.23 3fpr h ARG 55 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.13 3fpr h ARG 55 CO -0.03 0.18 0.00 0.00 -1.07 0.00 0.00 179.97 179.06 3fpr h ARG 56 N 0.00 0.00 -6.56 0.04 3.08 -1.18 -3.45 114.38 106.30 3fpr h ARG 56 Ca -0.00 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.52 3fpr h ARG 56 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.40 3fpr h ARG 56 CO 0.02 0.00 0.52 -1.64 -1.07 0.00 0.00 179.97 177.80 3fpr s MET 57 N -3.24 4.50 0.20 0.04 -1.94 -0.52 -4.99 119.30 113.36 3fpr s MET 57 Ca 0.07 1.75 -0.31 0.00 -1.71 0.00 0.00 55.69 55.49 3fpr s MET 57 Cb 0.09 -3.31 -0.10 0.00 2.01 0.00 0.00 34.83 33.52 3fpr s MET 57 CO 0.57 -0.11 1.58 0.99 -0.01 0.00 0.00 175.02 178.04 3fpr s THR 58 N 0.45 2.48 0.34 2.05 2.01 -1.26 -4.90 115.64 116.82 3fpr s THR 58 Ca 0.54 0.36 -0.28 0.00 0.31 0.00 0.00 61.69 62.62 3fpr s THR 58 Cb -0.29 -3.23 -0.12 0.00 0.01 0.00 0.00 72.50 68.87 3fpr s THR 58 CO 0.32 0.03 1.35 0.00 -0.69 0.00 0.00 174.62 175.63 3fpr n ALA 59 N 3.57 1.56 -0.90 7.40 0.00 -1.26 -2.95 120.51 127.92 3fpr n ALA 59 Ca 0.13 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.93 3fpr n ALA 59 Cb 0.38 -2.30 0.00 0.00 0.00 0.00 0.00 19.45 17.53 3fpr n ALA 59 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3fpr n ASN 60 N 0.83 -2.75 -4.89 0.00 3.02 -0.54 -4.99 115.26 105.95 3fpr n ASN 60 Ca 0.04 0.00 -0.36 0.00 -0.03 0.00 0.00 54.58 54.24 3fpr n ASN 60 Cb 0.36 -1.75 -0.06 0.00 -0.61 0.00 0.00 39.78 37.73 3fpr n ASN 60 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3fpr s LEU 61 N 0.00 4.39 0.17 3.41 1.43 -1.15 -5.02 118.68 121.90 3fpr s LEU 61 Ca 0.00 0.46 -0.30 0.00 -1.03 0.00 0.00 54.13 53.26 3fpr s LEU 61 Cb 0.00 -2.29 -0.07 0.00 0.03 0.00 0.00 46.19 43.86 3fpr s LEU 61 CO 0.00 0.35 1.09 -2.16 0.23 0.00 0.00 176.35 175.87 3fpr s PRO 62 N -1.34 4.60 0.08 1.29 0.04 -1.26 -4.57 135.00 133.83 3fpr s PRO 62 Ca 0.20 1.70 0.07 0.00 0.04 0.00 0.00 61.00 63.00 3fpr s PRO 62 Cb -0.12 -3.29 -0.03 0.00 0.04 0.00 0.00 34.50 31.10 3fpr s PRO 62 CO 0.09 0.08 -0.18 0.71 0.04 0.00 0.00 177.00 177.74 3fpr s TYR 63 N -0.20 1.53 -0.52 0.56 1.51 -0.47 -4.97 117.35 114.79 3fpr s TYR 63 Ca 0.49 -0.43 -0.25 0.00 -1.01 0.00 0.00 57.07 55.88 3fpr s TYR 63 Cb -0.29 -0.85 0.04 0.00 -0.11 0.00 0.00 41.96 40.75 3fpr s TYR 63 CO 0.34 0.13 0.94 -0.51 -1.11 0.00 0.00 175.55 175.35 3fpr s ASP 64 N -1.77 6.40 -0.14 2.29 1.01 -1.26 -0.58 116.67 122.61 3fpr s ASP 64 Ca 0.03 -0.17 -0.14 0.00 0.71 0.00 0.00 52.55 52.98 3fpr s ASP 64 Cb -0.10 -2.44 -0.05 0.00 1.01 0.00 0.00 42.92 41.34 3fpr s ASP 64 CO 0.03 -1.17 0.31 0.00 0.21 0.00 0.00 175.17 174.56 3fpr s PRO 66 N 0.34 4.31 0.40 0.00 0.04 -1.26 -1.34 135.00 137.48 3fpr s PRO 66 Ca 0.18 1.91 -0.18 0.00 0.04 0.00 0.00 61.00 62.95 3fpr s PRO 66 Cb -0.13 -3.54 -0.10 0.00 0.04 0.00 0.00 34.50 30.78 3fpr s PRO 66 CO 0.05 -0.52 0.86 -0.51 0.04 0.00 0.00 177.00 176.92 3fpr s LEU 67 N 2.20 3.94 0.00 -3.56 1.43 0.15 -1.50 118.68 121.34 3fpr s LEU 67 Ca 0.62 1.49 -0.01 0.00 -1.03 0.00 0.00 54.13 55.19 3fpr s LEU 67 Cb -0.30 -4.33 0.01 0.00 0.03 0.00 0.00 46.19 41.59 3fpr s LEU 67 CO 0.26 -0.33 0.18 0.61 0.23 0.00 0.00 176.35 177.30 3fpr n GLY 68 N -0.69 2.60 2.97 -3.19 0.00 0.59 -0.52 105.19 106.94 3fpr n GLY 68 Ca 0.05 -1.39 -0.13 0.00 0.00 0.00 0.00 46.02 44.56 3fpr n GLY 68 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3fpr s GLN 69 N -2.22 0.12 0.21 1.61 0.74 -0.48 -1.89 119.66 117.75 3fpr s GLN 69 Ca 0.09 0.21 -0.30 0.00 0.05 0.00 0.00 55.36 55.40 3fpr s GLN 69 Cb -0.01 -0.00 -0.09 0.00 1.10 0.00 0.00 33.01 34.02 3fpr s GLN 69 CO 0.06 -0.05 1.25 0.00 -0.55 0.00 0.00 175.29 176.00 3fpr s SER 71 N 0.06 1.02 -1.49 0.00 0.15 -0.32 -0.55 113.70 112.58 3fpr s SER 71 Ca 0.53 0.10 -0.05 0.00 0.70 0.00 0.00 55.95 57.23 3fpr s SER 71 Cb -0.35 0.38 0.04 0.00 -1.71 0.00 0.00 66.02 64.39 3fpr s SER 71 CO 0.39 -0.28 0.53 0.59 1.20 0.00 0.00 173.24 175.67 3fpr n ASN 72 N 5.33 -1.26 0.00 5.45 3.02 -1.26 -1.92 115.26 124.62 3fpr n ASN 72 Ca -0.05 -1.00 0.00 0.00 -0.03 0.00 0.00 54.58 53.49 3fpr n ASN 72 Cb 0.50 -2.98 0.00 0.00 -0.61 0.00 0.00 39.78 36.68 3fpr n ASN 72 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3fpr n GLY 73 N -1.84 0.80 3.34 7.41 0.00 -1.26 -5.03 105.19 108.60 3fpr n GLY 73 Ca -0.20 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.50 3fpr n GLY 73 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3fpr s ASP 74 N -2.66 3.45 -0.67 1.61 1.01 -0.81 -3.42 116.67 115.19 3fpr s ASP 74 Ca 0.00 -0.40 -0.25 0.00 0.71 0.00 0.00 52.55 52.61 3fpr s ASP 74 Cb 0.00 -0.94 0.05 0.00 1.01 0.00 0.00 42.92 43.04 3fpr s ASP 74 CO 0.00 0.26 1.11 0.00 0.21 0.00 0.00 175.17 176.75 3fpr s ILE 76 N 4.81 4.49 0.45 0.00 -1.09 -0.37 -4.79 121.20 124.70 3fpr s ILE 76 Ca 0.30 1.38 -0.24 0.00 -2.23 0.00 0.00 60.65 59.86 3fpr s ILE 76 Cb -0.12 -4.41 -0.08 0.00 -1.58 0.00 0.00 42.46 36.27 3fpr s ILE 76 CO 0.15 -0.61 1.33 -2.84 -1.23 0.00 0.00 174.94 171.74 3fpr s PRO 77 N 3.72 3.70 0.00 2.79 0.02 -1.26 -1.38 135.00 142.58 3fpr s PRO 77 Ca 0.42 2.18 0.25 0.00 0.02 0.00 0.00 61.00 63.88 3fpr s PRO 77 Cb -0.11 -2.58 0.44 0.00 0.02 0.00 0.00 34.50 32.27 3fpr s PRO 77 CO 0.20 -0.73 1.36 1.63 -0.33 0.00 0.00 177.00 179.14 3fpr n LYS 78 N -0.28 0.48 -1.81 5.54 4.76 0.32 -4.90 118.16 122.27 3fpr n LYS 78 Ca 0.06 -0.32 -0.14 0.00 -2.87 0.00 0.00 58.31 55.04 3fpr n LYS 78 Cb 0.44 -1.49 -0.03 0.00 -1.84 0.00 0.00 35.03 32.10 3fpr n LYS 78 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 3fpr n GLU 79 N -0.98 -1.05 -4.54 1.97 -0.58 -1.26 -5.02 120.64 109.19 3fpr n GLU 79 Ca 0.08 0.85 -0.25 0.00 -0.42 0.00 0.00 57.16 57.42 3fpr n GLU 79 Cb 0.36 -5.03 -0.11 0.00 -0.57 0.00 0.00 31.44 26.09 3fpr n GLU 79 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 3fpr s THR 80 N -2.61 1.94 0.02 2.62 -4.23 -1.26 -5.04 115.64 107.08 3fpr s THR 80 Ca 0.00 -2.10 0.00 0.00 -1.18 0.00 0.00 61.69 58.41 3fpr s THR 80 Cb 0.00 -2.75 -0.02 0.00 1.34 0.00 0.00 72.50 71.07 3fpr s THR 80 CO 0.00 -0.13 -0.03 -0.31 -0.54 0.00 0.00 174.62 173.61 3fpr s TYR 81 N -2.79 0.28 0.01 3.99 1.51 -1.26 -0.68 117.35 118.41 3fpr s TYR 81 Ca 0.33 -0.51 -0.01 0.00 -1.01 0.00 0.00 57.07 55.87 3fpr s TYR 81 Cb 0.06 -0.20 -0.01 0.00 -0.11 0.00 0.00 41.96 41.70 3fpr s TYR 81 CO 0.16 -0.18 0.01 -2.00 -1.11 0.00 0.00 175.55 172.43 3fpr s GLU 82 N -1.42 0.31 0.11 -0.62 2.12 -0.45 -4.92 118.70 113.84 3fpr s GLU 82 Ca -0.15 -0.50 -0.31 0.00 0.36 0.00 0.00 54.97 54.38 3fpr s GLU 82 Cb -0.10 0.12 -0.07 0.00 0.26 0.00 0.00 34.13 34.34 3fpr s GLU 82 CO -0.01 -0.06 1.26 0.08 -0.54 0.00 0.00 175.26 176.00 3fpr s VAL 83 N -1.27 3.66 0.12 3.70 1.01 -1.26 -0.12 120.40 126.24 3fpr s VAL 83 Ca -0.14 1.24 -0.00 0.00 0.00 0.00 0.00 61.98 63.08 3fpr s VAL 83 Cb -0.08 -3.79 -0.04 0.00 0.00 0.00 0.00 36.38 32.46 3fpr s VAL 83 CO -0.00 0.12 0.02 0.00 0.00 0.00 0.00 175.10 175.24 3fpr s TYR 85 N -3.92 0.82 -0.23 0.00 1.51 0.66 -1.37 117.35 114.82 3fpr s TYR 85 Ca 0.20 -0.66 -0.11 0.00 -1.01 0.00 0.00 57.07 55.49 3fpr s TYR 85 Cb 0.07 -0.47 -0.05 0.00 -0.11 0.00 0.00 41.96 41.40 3fpr s TYR 85 CO -0.01 -0.09 0.17 0.50 -1.11 0.00 0.00 175.55 175.02 3fpr s ARG 86 N -2.49 4.09 -0.26 -0.62 3.52 -1.26 -1.59 118.95 120.33 3fpr s ARG 86 Ca -0.00 -0.23 0.03 0.00 -0.13 0.00 0.00 55.73 55.39 3fpr s ARG 86 Cb -0.04 -3.53 0.07 0.00 -1.56 0.00 0.00 34.95 29.89 3fpr s ARG 86 CO -0.01 0.07 -0.07 1.03 -0.81 0.00 0.00 175.30 175.51 3fpr s ARG 87 N 1.02 1.97 0.72 5.12 1.81 -1.26 -1.46 118.95 126.87 3fpr s ARG 87 Ca 0.08 -1.32 -0.11 0.00 -1.72 0.00 0.00 55.73 52.65 3fpr s ARG 87 Cb -0.13 -2.84 0.02 0.00 -0.45 0.00 0.00 34.95 31.55 3fpr s ARG 87 CO 0.04 -0.63 1.10 -0.80 -0.68 0.00 0.00 175.30 174.33 3fpr s ASN 88 N 1.16 5.26 -0.00 0.23 0.01 -1.26 -4.98 114.94 115.35 3fpr s ASN 88 Ca -0.05 1.18 -0.18 0.00 -0.71 0.00 0.00 52.86 53.10 3fpr s ASN 88 Cb -0.20 -1.97 -0.10 0.00 0.41 0.00 0.00 41.25 39.39 3fpr s ASN 88 CO -0.06 -1.46 0.86 -0.25 -1.51 0.00 0.00 177.10 174.68 3fpr h TRP 89 N -0.74 -0.59 0.00 2.20 7.01 -2.06 -3.45 115.95 118.32 3fpr h TRP 89 Ca -0.45 -0.01 0.00 0.00 2.11 0.00 0.00 58.89 60.53 3fpr h TRP 89 Cb 1.25 0.19 0.00 0.00 -2.10 0.00 0.00 29.16 28.51 3fpr h TRP 89 CO 0.50 -0.37 -0.17 -2.13 -2.79 0.00 0.00 178.44 173.49 3fpr n ARG 90 N -4.57 0.09 0.00 2.65 0.63 -1.26 -5.27 116.66 108.94 3fpr n ARG 90 Ca -0.08 0.04 0.00 0.00 -0.92 0.00 0.00 57.85 56.89 3fpr n ARG 90 Cb 0.25 -0.57 0.00 0.00 0.45 0.00 0.00 32.46 32.59 3fpr n ARG 90 CO 0.00 0.00 0.00 -0.40 -2.51 0.00 0.00 177.63 174.72