#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yuq n SER 2 N 0.00 1.92 -4.86 1.61 7.64 -1.26 -4.97 113.62 113.70 2yuq n SER 2 Ca 0.00 0.38 -0.31 0.00 1.01 0.00 0.00 58.87 59.95 2yuq n SER 2 Cb 0.00 -0.87 -0.04 0.00 -1.01 0.00 0.00 64.21 62.29 2yuq n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2yuq s SER 3 N -7.13 6.62 0.00 6.43 1.04 -1.26 -4.91 113.70 114.49 2yuq s SER 3 Ca -0.34 1.21 0.00 0.00 0.48 0.00 0.00 55.95 57.30 2yuq s SER 3 Cb 0.11 -2.35 0.00 0.00 0.10 0.00 0.00 66.02 63.88 2yuq s SER 3 CO 0.51 -0.34 0.00 0.61 0.98 0.00 0.00 173.24 175.00 2yuq n GLY 4 N -0.97 0.00 3.07 7.32 0.00 -1.26 -5.10 105.19 108.25 2yuq n GLY 4 Ca 0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 2yuq n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yuq s SER 5 N 0.00 5.70 0.20 1.61 0.01 -1.26 -4.95 113.70 115.01 2yuq s SER 5 Ca 0.00 -3.60 -0.22 0.00 1.31 0.00 0.00 55.95 53.44 2yuq s SER 5 Cb 0.00 -1.86 0.13 0.00 0.21 0.00 0.00 66.02 64.50 2yuq s SER 5 CO 0.00 -0.20 1.56 -1.28 0.41 0.00 0.00 173.24 173.73 2yuq h SER 6 N 6.09 -1.46 -0.56 2.44 0.87 -2.04 -3.47 113.55 115.42 2yuq h SER 6 Ca 0.13 0.28 0.00 0.00 -1.23 0.00 0.00 61.79 60.97 2yuq h SER 6 Cb 0.83 0.72 0.00 0.00 -0.44 0.00 0.00 62.40 63.50 2yuq h SER 6 CO 0.81 -0.30 0.00 0.61 -0.53 0.00 0.00 176.83 177.42 2yuq n GLY 7 N -1.43 0.60 3.31 5.77 0.00 -1.26 -5.05 105.19 107.13 2yuq n GLY 7 Ca 0.06 -0.63 -0.46 0.00 0.00 0.00 0.00 46.02 44.99 2yuq n GLY 7 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2yuq s GLU 8 N -2.13 3.50 -0.39 1.61 0.41 -1.26 -4.99 118.70 115.45 2yuq s GLU 8 Ca 0.00 -2.48 0.03 0.00 -0.41 0.00 0.00 54.97 52.11 2yuq s GLU 8 Cb 0.00 -4.36 0.11 0.00 -1.78 0.00 0.00 34.13 28.10 2yuq s GLU 8 CO 0.00 -1.28 0.12 -0.51 -0.49 0.00 0.00 175.26 173.10 2yuq s ASP 9 N 1.99 4.75 -0.54 -0.19 1.11 -1.26 -4.97 116.67 117.56 2yuq s ASP 9 Ca 0.18 -2.33 -0.02 0.00 0.18 0.00 0.00 52.55 50.56 2yuq s ASP 9 Cb -0.11 -1.66 0.34 0.00 1.07 0.00 0.00 42.92 42.56 2yuq s ASP 9 CO -0.08 -0.37 2.07 0.59 1.18 0.00 0.00 175.17 178.56 2yuq n ASN 10 N 4.05 7.20 -4.79 0.27 4.13 -1.26 -4.98 115.26 119.87 2yuq n ASN 10 Ca 0.04 -3.50 -0.30 0.00 1.68 0.00 0.00 54.58 52.49 2yuq n ASN 10 Cb 0.40 -1.03 0.09 0.00 -1.54 0.00 0.00 39.78 37.70 2yuq n ASN 10 CO 0.00 0.00 0.00 -0.60 0.28 0.00 0.00 177.26 176.94 2yuq s ARG 11 N -3.01 2.24 0.17 3.52 3.52 -1.26 -5.08 118.95 119.05 2yuq s ARG 11 Ca 0.52 0.82 0.09 0.00 -0.13 0.00 0.00 55.73 57.02 2yuq s ARG 11 Cb 0.40 -1.92 -0.04 0.00 -1.56 0.00 0.00 34.95 31.83 2yuq s ARG 11 CO -0.04 -1.56 -0.19 1.03 -0.81 0.00 0.00 175.30 173.73 2yuq s ARG 12 N -5.06 1.31 0.72 5.12 1.81 -1.26 -5.14 118.95 116.44 2yuq s ARG 12 Ca 0.60 -1.42 -0.13 0.00 -1.72 0.00 0.00 55.73 53.07 2yuq s ARG 12 Cb -0.15 -1.40 0.03 0.00 -0.45 0.00 0.00 34.95 32.98 2yuq s ARG 12 CO 0.55 0.29 1.10 -1.25 -0.68 0.00 0.00 175.30 175.31 2yuq s PRO 13 N -2.77 2.51 0.03 3.54 0.04 -1.26 -4.98 135.00 132.10 2yuq s PRO 13 Ca 0.16 1.27 -0.25 0.00 0.04 0.00 0.00 61.00 62.23 2yuq s PRO 13 Cb -0.06 -1.92 -0.18 0.00 0.04 0.00 0.00 34.50 32.38 2yuq s PRO 13 CO 0.07 -1.46 1.47 -0.07 0.04 0.00 0.00 177.00 177.04 2yuq h LEU 14 N -0.59 -0.01-10.65 -3.56 3.38 -2.01 -3.45 115.31 98.42 2yuq h LEU 14 Ca -0.45 -0.28 -0.46 0.00 0.09 0.00 0.00 57.88 56.78 2yuq h LEU 14 Cb 1.24 0.00 0.11 0.00 0.09 0.00 0.00 40.66 42.10 2yuq h LEU 14 CO 0.53 0.27 0.34 0.26 0.09 0.00 0.00 178.44 179.93 2yuq s TRP 15 N -5.08 2.58 0.20 1.13 0.52 -1.26 -5.09 118.94 111.94 2yuq s TRP 15 Ca -0.15 0.51 0.04 0.00 0.02 0.00 0.00 56.10 56.52 2yuq s TRP 15 Cb 0.03 -3.52 -0.03 0.00 -1.15 0.00 0.00 33.47 28.80 2yuq s TRP 15 CO 0.67 -1.86 0.31 -1.21 0.02 0.00 0.00 176.95 174.88 2yuq s GLU 16 N -5.53 3.40 0.08 4.98 0.41 -1.26 -4.99 118.70 115.79 2yuq s GLU 16 Ca 0.64 -0.70 0.17 0.00 -0.41 0.00 0.00 54.97 54.67 2yuq s GLU 16 Cb -0.09 -2.90 0.73 0.00 -1.78 0.00 0.00 34.13 30.09 2yuq s GLU 16 CO 0.48 0.47 1.54 -0.35 -0.49 0.00 0.00 175.26 176.91 2yuq n PRO 17 N -0.97 0.06 -0.01 0.39 -0.04 -1.26 -2.99 135.00 130.17 2yuq n PRO 17 Ca -0.08 0.31 -0.20 0.00 -0.04 0.00 0.00 63.50 63.49 2yuq n PRO 17 Cb 0.56 -1.62 -0.13 0.00 -0.04 0.00 0.00 33.50 32.26 2yuq n PRO 17 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 2yuq h GLU 18 N 0.00 0.17 -6.64 0.54 4.11 -2.05 -3.46 114.58 107.25 2yuq h GLU 18 Ca 0.00 -0.29 -0.53 0.00 0.07 0.00 0.00 59.36 58.61 2yuq h GLU 18 Cb 0.28 0.11 0.03 0.00 0.50 0.00 0.00 28.75 29.67 2yuq h GLU 18 CO 0.00 1.14 0.69 -1.83 0.07 0.00 0.00 179.01 179.08 2yuq s GLU 19 N -2.40 4.35 -0.81 1.06 -1.05 -1.16 -4.91 118.70 113.78 2yuq s GLU 19 Ca -0.20 2.09 -0.25 0.00 -0.15 0.00 0.00 54.97 56.47 2yuq s GLU 19 Cb 0.02 -3.20 -0.03 0.00 -0.44 0.00 0.00 34.13 30.48 2yuq s GLU 19 CO 0.74 -0.34 1.87 0.99 0.95 0.00 0.00 175.26 179.47 2yuq s THR 20 N 0.44 3.45 -0.23 1.83 2.01 -1.26 -4.79 115.64 117.09 2yuq s THR 20 Ca 0.60 -0.19 -0.25 0.00 0.31 0.00 0.00 61.69 62.16 2yuq s THR 20 Cb -0.37 -4.07 -0.01 0.00 0.01 0.00 0.00 72.50 68.06 2yuq s THR 20 CO 0.36 -1.02 0.84 -0.69 -0.69 0.00 0.00 174.62 173.42 2yuq s VAL 21 N 9.35 4.84 0.15 3.82 1.01 -1.26 -2.42 120.40 135.89 2yuq s VAL 21 Ca 0.67 1.60 0.08 0.00 0.00 0.00 0.00 61.98 64.33 2yuq s VAL 21 Cb -0.08 -4.13 -0.04 0.00 0.00 0.00 0.00 36.38 32.13 2yuq s VAL 21 CO 0.06 -0.06 -0.09 0.68 0.00 0.00 0.00 175.10 175.69 2yuq s VAL 22 N 2.71 3.28 0.05 2.92 -7.23 -0.33 -2.09 120.40 119.71 2yuq s VAL 22 Ca 0.36 -1.50 0.09 0.00 -1.81 0.00 0.00 61.98 59.11 2yuq s VAL 22 Cb -0.16 -2.59 -0.03 0.00 0.56 0.00 0.00 36.38 34.16 2yuq s VAL 22 CO 0.08 -0.03 -0.24 -0.63 -0.31 0.00 0.00 175.10 173.98 2yuq s ILE 23 N -1.52 2.35 -0.05 -0.62 1.09 -0.07 0.09 121.20 122.47 2yuq s ILE 23 Ca 0.24 -1.34 -0.19 0.00 -1.10 0.00 0.00 60.65 58.26 2yuq s ILE 23 Cb -0.10 -1.94 -0.05 0.00 -1.06 0.00 0.00 42.46 39.31 2yuq s ILE 23 CO 0.15 0.35 0.53 0.00 -0.10 0.00 0.00 174.94 175.87 2yuq s ALA 24 N -0.85 3.50 0.10 9.38 0.00 -0.97 0.62 121.76 133.53 2yuq s ALA 24 Ca 0.13 -0.08 0.05 0.00 0.00 0.00 0.00 51.96 52.05 2yuq s ALA 24 Cb -0.10 -2.67 -0.23 0.00 0.00 0.00 0.00 23.12 20.12 2yuq s ALA 24 CO 0.03 0.12 1.19 -0.07 0.00 0.00 0.00 175.76 177.04 2yuq h LEU 25 N 6.03 0.09 -8.31 0.00 3.38 -1.38 -3.00 115.31 112.12 2yuq h LEU 25 Ca -0.44 -0.10 -0.21 0.00 0.09 0.00 0.00 57.88 57.22 2yuq h LEU 25 Cb 1.19 -0.03 -0.17 0.00 0.09 0.00 0.00 40.66 41.75 2yuq h LEU 25 CO 0.71 1.08 -0.70 -0.31 0.09 0.00 0.00 178.44 179.31 2yuq s TYR 26 N -2.69 0.72 -0.53 1.13 1.51 -1.26 -4.75 117.35 111.48 2yuq s TYR 26 Ca -0.01 -0.83 -0.28 0.00 -1.01 0.00 0.00 57.07 54.94 2yuq s TYR 26 Cb 0.09 -0.44 0.02 0.00 -0.11 0.00 0.00 41.96 41.52 2yuq s TYR 26 CO 0.83 -0.18 1.28 0.34 -1.11 0.00 0.00 175.55 176.71 2yuq s ASP 27 N -2.58 6.37 0.14 2.29 -1.08 -1.26 -4.38 116.67 116.16 2yuq s ASP 27 Ca 0.04 0.34 -0.20 0.00 -0.52 0.00 0.00 52.55 52.21 2yuq s ASP 27 Cb 0.01 -2.55 -0.07 0.00 -1.46 0.00 0.00 42.92 38.85 2yuq s ASP 27 CO -0.04 -1.50 0.64 -0.47 0.52 0.00 0.00 175.17 174.31 2yuq s TYR 28 N 5.27 3.76 -0.05 -5.34 5.04 -0.99 -4.95 117.35 120.09 2yuq s TYR 28 Ca 0.49 1.34 -0.02 0.00 -2.44 0.00 0.00 57.07 56.44 2yuq s TYR 28 Cb -0.09 -2.56 0.04 0.00 0.35 0.00 0.00 41.96 39.70 2yuq s TYR 28 CO 0.28 0.50 0.10 1.14 -1.34 0.00 0.00 175.55 176.22 2yuq s GLN 29 N -1.44 -0.01 0.23 4.97 -2.07 -1.26 -2.24 119.66 117.84 2yuq s GLN 29 Ca 0.35 0.40 0.09 0.00 -1.82 0.00 0.00 55.36 54.38 2yuq s GLN 29 Cb -0.19 -0.33 -0.04 0.00 -1.09 0.00 0.00 33.01 31.36 2yuq s GLN 29 CO 0.21 -0.26 -0.03 -0.08 -1.32 0.00 0.00 175.29 173.81 2yuq s THR 30 N 1.82 3.43 -0.89 3.63 -1.32 -1.26 -5.03 115.64 116.02 2yuq s THR 30 Ca -0.01 -1.77 0.23 0.00 -1.21 0.00 0.00 61.69 58.93 2yuq s THR 30 Cb -0.12 -2.78 -0.12 0.00 -1.51 0.00 0.00 72.50 67.97 2yuq s THR 30 CO -0.04 -0.27 1.11 0.59 -2.21 0.00 0.00 174.62 173.80 2yuq n ASN 31 N -0.54 0.71 -4.82 8.08 3.02 -1.26 -4.92 115.26 115.53 2yuq n ASN 31 Ca -0.08 -0.52 -0.30 0.00 -0.03 0.00 0.00 54.58 53.64 2yuq n ASN 31 Cb 0.57 0.69 -0.06 0.00 -0.61 0.00 0.00 39.78 40.38 2yuq n ASN 31 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 2yuq s ASP 32 N -3.24 5.78 0.08 6.41 1.01 -1.26 -5.04 116.67 120.42 2yuq s ASP 32 Ca 0.08 0.07 -0.17 0.00 0.71 0.00 0.00 52.55 53.24 2yuq s ASP 32 Cb 0.16 -1.63 -0.11 0.00 1.01 0.00 0.00 42.92 42.36 2yuq s ASP 32 CO 0.79 0.16 1.39 1.55 0.21 0.00 0.00 175.17 179.28 2yuq h PRO 33 N 3.17 0.58 -0.87 8.23 0.13 -2.01 -3.21 132.00 138.01 2yuq h PRO 33 Ca -0.46 -0.30 0.23 0.00 -0.87 0.00 0.00 66.00 64.59 2yuq h PRO 33 Cb 1.16 0.01 -0.14 0.00 0.13 0.00 0.00 31.00 32.17 2yuq h PRO 33 CO 0.69 0.90 0.26 1.96 -0.23 0.00 0.00 178.00 181.57 2yuq h GLN 34 N 0.28 0.23 -6.63 0.86 1.08 -1.96 -3.39 115.11 105.58 2yuq h GLN 34 Ca 0.04 -0.01 -0.51 0.00 -1.45 0.00 0.00 58.65 56.72 2yuq h GLN 34 Cb 0.79 -0.05 -0.03 0.00 -0.05 0.00 0.00 27.48 28.14 2yuq h GLN 34 CO 0.06 0.15 0.14 -1.21 -0.95 0.00 0.00 178.83 177.02 2yuq s GLU 35 N -5.93 4.25 0.07 1.46 8.01 -1.21 -3.16 118.70 122.19 2yuq s GLU 35 Ca -0.12 0.89 0.01 0.00 0.01 0.00 0.00 54.97 55.76 2yuq s GLU 35 Cb 0.25 -2.79 -0.04 0.00 -4.31 0.00 0.00 34.13 27.24 2yuq s GLU 35 CO 0.77 0.34 0.17 -1.17 0.01 0.00 0.00 175.26 175.38 2yuq s LEU 36 N -2.15 4.18 -0.51 1.80 2.96 -1.26 -4.78 118.68 118.91 2yuq s LEU 36 Ca 0.46 0.18 -0.17 0.00 -0.22 0.00 0.00 54.13 54.38 2yuq s LEU 36 Cb -0.16 -2.81 0.09 0.00 0.50 0.00 0.00 46.19 43.81 2yuq s LEU 36 CO 0.21 0.17 0.51 0.00 -1.32 0.00 0.00 176.35 175.91 2yuq s ALA 37 N -1.47 3.52 0.91 5.97 0.00 -1.26 -4.67 121.76 124.77 2yuq s ALA 37 Ca 0.33 -2.14 -0.11 0.00 0.00 0.00 0.00 51.96 50.04 2yuq s ALA 37 Cb -0.13 -3.23 0.14 0.00 0.00 0.00 0.00 23.12 19.90 2yuq s ALA 37 CO 0.26 -1.93 1.10 -0.51 0.00 0.00 0.00 175.76 174.69 2yuq s LEU 38 N 1.98 2.49 0.05 0.00 1.43 -0.95 -4.84 118.68 118.83 2yuq s LEU 38 Ca 0.07 1.86 0.09 0.00 -1.03 0.00 0.00 54.13 55.12 2yuq s LEU 38 Cb -0.24 -4.26 -0.03 0.00 0.03 0.00 0.00 46.19 41.69 2yuq s LEU 38 CO 0.07 -2.89 -0.26 -0.60 0.23 0.00 0.00 176.35 172.90 2yuq s ARG 39 N -4.75 1.82 0.20 1.70 6.06 -1.26 -2.34 118.95 120.38 2yuq s ARG 39 Ca 0.65 -1.10 -0.30 0.00 -2.50 0.00 0.00 55.73 52.47 2yuq s ARG 39 Cb -0.21 -2.00 -0.09 0.00 0.06 0.00 0.00 34.95 32.71 2yuq s ARG 39 CO 0.58 0.51 1.38 0.50 -2.50 0.00 0.00 175.30 175.78 2yuq s ARG 40 N -1.27 4.33 -1.16 5.12 3.52 -1.26 -3.20 118.95 125.02 2yuq s ARG 40 Ca 0.12 2.16 -0.01 0.00 -0.13 0.00 0.00 55.73 57.87 2yuq s ARG 40 Cb -0.10 -3.17 -0.01 0.00 -1.56 0.00 0.00 34.95 30.11 2yuq s ARG 40 CO 0.02 -0.36 0.97 0.09 -0.81 0.00 0.00 175.30 175.22 2yuq n ASN 41 N 2.81 -2.61 -3.91 -2.12 5.03 -1.13 -4.99 115.26 108.34 2yuq n ASN 41 Ca 0.08 -0.62 -0.11 0.00 0.87 0.00 0.00 54.58 54.79 2yuq n ASN 41 Cb 0.42 -5.07 -0.13 0.00 -1.02 0.00 0.00 39.78 33.98 2yuq n ASN 41 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 2yuq s GLU 42 N -5.22 0.10 0.33 3.52 0.41 -1.19 -5.00 118.70 111.65 2yuq s GLU 42 Ca 0.06 -0.20 -0.03 0.00 -0.41 0.00 0.00 54.97 54.39 2yuq s GLU 42 Cb -0.01 0.04 -0.04 0.00 -1.78 0.00 0.00 34.13 32.34 2yuq s GLU 42 CO 0.72 -0.02 0.57 -1.21 -0.49 0.00 0.00 175.26 174.83 2yuq s GLU 43 N -0.47 3.56 -0.04 1.61 8.01 -1.26 -2.29 118.70 127.82 2yuq s GLU 43 Ca -0.05 -0.12 -0.12 0.00 0.01 0.00 0.00 54.97 54.69 2yuq s GLU 43 Cb -0.03 -2.63 0.02 0.00 -4.31 0.00 0.00 34.13 27.17 2yuq s GLU 43 CO -0.00 0.15 0.27 0.71 0.01 0.00 0.00 175.26 176.41 2yuq s TYR 44 N -2.23 -0.18 -0.27 1.61 1.51 0.11 -4.67 117.35 113.23 2yuq s TYR 44 Ca 0.43 0.34 -0.20 0.00 -1.01 0.00 0.00 57.07 56.62 2yuq s TYR 44 Cb -0.10 0.07 -0.02 0.00 -0.11 0.00 0.00 41.96 41.81 2yuq s TYR 44 CO 0.34 -0.31 0.62 0.00 -1.11 0.00 0.00 175.55 175.09 2yuq s LEU 46 N 2.53 4.20 -0.05 0.00 2.96 -1.02 -1.57 118.68 125.73 2yuq s LEU 46 Ca 0.26 1.85 -0.04 0.00 -0.22 0.00 0.00 54.13 55.98 2yuq s LEU 46 Cb -0.15 -3.54 -0.01 0.00 0.50 0.00 0.00 46.19 42.99 2yuq s LEU 46 CO 0.10 -0.86 -0.08 0.18 -1.32 0.00 0.00 176.35 174.37 2yuq n LEU 47 N 6.94 0.64 -3.83 -0.68 4.77 -0.46 -4.76 117.00 119.63 2yuq n LEU 47 Ca 0.15 0.31 -0.25 0.00 -0.03 0.00 0.00 56.01 56.19 2yuq n LEU 47 Cb 0.44 -0.62 -0.17 0.00 -2.33 0.00 0.00 43.42 40.74 2yuq n LEU 47 CO 0.59 -0.47 -0.41 -0.62 -1.33 0.00 0.00 177.39 175.15 2yuq s ASP 48 N -4.39 1.91 -0.41 -1.43 -1.08 -0.89 -5.01 116.67 105.37 2yuq s ASP 48 Ca -0.07 -0.21 0.05 0.00 -0.52 0.00 0.00 52.55 51.81 2yuq s ASP 48 Cb 0.01 -0.63 0.66 0.00 -1.46 0.00 0.00 42.92 41.49 2yuq s ASP 48 CO 0.10 -0.16 1.84 -1.54 0.52 0.00 0.00 175.17 175.93 2yuq n SER 49 N 5.05 3.72 -0.39 -0.34 3.41 -1.26 -1.87 113.62 121.94 2yuq n SER 49 Ca -0.10 -3.58 -0.07 0.00 -0.26 0.00 0.00 58.87 54.86 2yuq n SER 49 Cb 0.50 -0.80 -0.05 0.00 -0.26 0.00 0.00 64.21 63.60 2yuq n SER 49 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2yuq h SER 50 N 1.22 -1.86 -3.94 4.04 0.02 -1.95 -3.41 113.55 107.67 2yuq h SER 50 Ca 0.53 0.32 -0.41 0.00 -0.84 0.00 0.00 61.79 61.39 2yuq h SER 50 Cb 2.64 0.87 0.15 0.00 0.14 0.00 0.00 62.40 66.20 2yuq h SER 50 CO 0.96 -0.26 0.36 -0.62 -1.14 0.00 0.00 176.83 176.13 2yuq n GLU 51 N -5.34 -1.08 -0.05 3.45 1.02 -1.26 -5.06 120.64 112.32 2yuq n GLU 51 Ca 0.05 -2.01 -0.11 0.00 -0.02 0.00 0.00 57.16 55.06 2yuq n GLU 51 Cb 0.32 -1.21 -0.04 0.00 -0.02 0.00 0.00 31.44 30.49 2yuq n GLU 51 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 2yuq n ILE 52 N -3.61 0.58 0.08 -3.67 5.41 -1.26 -4.71 119.36 112.17 2yuq n ILE 52 Ca 0.16 -0.15 -0.09 0.00 1.00 0.00 0.00 62.75 63.66 2yuq n ILE 52 Cb 0.55 -1.58 -0.06 0.00 -0.71 0.00 0.00 39.64 37.83 2yuq n ILE 52 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 176.55 177.00 2yuq h HIS 53 N -0.35 0.23 -3.75 1.39 3.86 -1.97 -3.40 115.15 111.16 2yuq h HIS 53 Ca -0.27 -0.14 -0.68 0.00 -1.16 0.00 0.00 60.37 58.12 2yuq h HIS 53 Cb 1.24 -0.02 -0.34 0.00 1.06 0.00 0.00 27.41 29.35 2yuq h HIS 53 CO -0.03 1.03 -0.71 -1.58 0.86 0.00 0.00 177.93 177.50 2yuq s TRP 54 N -2.96 3.34 -0.03 2.45 0.52 -1.26 -1.69 118.94 119.32 2yuq s TRP 54 Ca -0.02 -2.12 -0.01 0.00 0.02 0.00 0.00 56.10 53.97 2yuq s TRP 54 Cb 0.10 -2.26 -0.04 0.00 -1.15 0.00 0.00 33.47 30.12 2yuq s TRP 54 CO 0.83 -0.85 0.06 -1.58 0.02 0.00 0.00 176.95 175.44 2yuq s TRP 55 N 1.18 3.26 -0.36 -1.98 0.52 0.20 -4.08 118.94 117.68 2yuq s TRP 55 Ca -0.03 0.21 -0.13 0.00 0.02 0.00 0.00 56.10 56.17 2yuq s TRP 55 Cb -0.20 -1.75 -0.00 0.00 -1.15 0.00 0.00 33.47 30.36 2yuq s TRP 55 CO -0.03 0.54 0.25 0.50 0.02 0.00 0.00 176.95 178.24 2yuq s ARG 56 N -1.52 3.28 0.24 4.98 3.52 -0.78 -1.63 118.95 127.04 2yuq s ARG 56 Ca 0.20 -0.79 0.03 0.00 -0.13 0.00 0.00 55.73 55.04 2yuq s ARG 56 Cb -0.12 -3.85 -0.05 0.00 -1.56 0.00 0.00 34.95 29.37 2yuq s ARG 56 CO 0.11 -0.56 0.03 0.14 -0.81 0.00 0.00 175.30 174.21 2yuq s VAL 57 N 1.70 0.92 -0.12 7.11 -7.23 -1.26 -1.35 120.40 120.17 2yuq s VAL 57 Ca 0.05 -2.02 0.03 0.00 -1.81 0.00 0.00 61.98 58.24 2yuq s VAL 57 Cb -0.18 -2.44 0.00 0.00 0.56 0.00 0.00 36.38 34.32 2yuq s VAL 57 CO 0.10 -0.23 -0.22 -1.58 -0.31 0.00 0.00 175.10 172.86 2yuq s GLN 58 N -3.91 3.09 1.08 4.82 0.74 -0.61 -3.56 119.66 121.31 2yuq s GLN 58 Ca 0.31 -0.84 -0.18 0.00 0.05 0.00 0.00 55.36 54.69 2yuq s GLN 58 Cb 0.07 -2.40 0.26 0.00 1.10 0.00 0.00 33.01 32.03 2yuq s GLN 58 CO 0.10 0.10 1.06 -0.40 -0.55 0.00 0.00 175.29 175.61 2yuq n ASP 59 N 3.76 -1.50 0.22 6.67 5.68 -0.49 -2.68 116.55 128.20 2yuq n ASP 59 Ca -0.19 -1.20 0.10 0.00 -0.50 0.00 0.00 54.79 53.00 2yuq n ASP 59 Cb 0.52 -0.93 0.42 0.00 -1.14 0.00 0.00 41.12 39.99 2yuq n ASP 59 CO 0.00 0.00 0.00 0.08 -1.33 0.00 0.00 177.20 175.95 2yuq h ARG 60 N 0.00 0.00 -0.25 0.11 0.11 -1.90 -3.11 114.38 109.34 2yuq h ARG 60 Ca -0.38 0.00 -0.17 0.00 0.10 0.00 0.00 59.98 59.52 2yuq h ARG 60 Cb 1.14 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.23 2yuq h ARG 60 CO 0.26 0.23 -0.53 -0.91 0.10 0.00 0.00 179.97 179.12 2yuq h ASN 61 N 0.00 0.89 0.00 0.08 4.21 -1.99 -3.47 115.58 115.30 2yuq h ASN 61 Ca -0.00 -0.55 0.00 0.00 1.21 0.00 0.00 56.30 56.96 2yuq h ASN 61 Cb 0.80 -0.26 0.00 0.00 -1.12 0.00 0.00 38.32 37.75 2yuq h ASN 61 CO 0.03 1.28 0.00 0.61 -1.29 0.00 0.00 177.43 178.06 2yuq n GLY 62 N 0.42 0.63 4.00 2.83 0.00 -1.18 -5.14 105.19 106.75 2yuq n GLY 62 Ca -0.05 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.79 2yuq n GLY 62 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2yuq s HIS 63 N -1.32 2.88 0.25 1.61 3.76 -1.26 -4.88 115.29 116.33 2yuq s HIS 63 Ca 0.00 -0.30 -0.01 0.00 -0.15 0.00 0.00 55.06 54.59 2yuq s HIS 63 Cb 0.00 -2.36 -0.03 0.00 1.11 0.00 0.00 32.58 31.30 2yuq s HIS 63 CO 0.00 -0.41 0.26 -1.21 -0.85 0.00 0.00 174.74 172.53 2yuq s GLU 64 N -4.38 1.46 0.00 1.40 2.02 -1.26 -1.40 118.70 116.54 2yuq s GLU 64 Ca 0.53 -1.67 0.00 0.00 0.02 0.00 0.00 54.97 53.86 2yuq s GLU 64 Cb -0.10 0.34 0.00 0.00 0.10 0.00 0.00 34.13 34.47 2yuq s GLU 64 CO 0.34 -0.54 0.00 0.41 0.02 0.00 0.00 175.26 175.49 2yuq n GLY 65 N -0.40 2.33 3.55 -1.39 0.00 -1.23 -4.35 105.19 103.70 2yuq n GLY 65 Ca 0.02 -0.61 -0.39 0.00 0.00 0.00 0.00 46.02 45.05 2yuq n GLY 65 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2yuq s TYR 66 N -2.00 1.73 0.09 1.61 2.02 -1.19 -4.05 117.35 115.57 2yuq s TYR 66 Ca 0.00 0.72 0.03 0.00 -0.37 0.00 0.00 57.07 57.45 2yuq s TYR 66 Cb 0.00 -4.13 -0.04 0.00 -0.40 0.00 0.00 41.96 37.39 2yuq s TYR 66 CO 0.00 -2.32 0.09 0.14 -1.57 0.00 0.00 175.55 171.88 2yuq s VAL 67 N 8.63 4.53 -0.50 0.71 -7.23 -0.65 -4.18 120.40 121.71 2yuq s VAL 67 Ca 0.66 -0.81 -0.27 0.00 -1.81 0.00 0.00 61.98 59.75 2yuq s VAL 67 Cb -0.13 -3.20 -0.02 0.00 0.56 0.00 0.00 36.38 33.59 2yuq s VAL 67 CO 0.21 0.09 1.79 -2.16 -0.31 0.00 0.00 175.10 174.73 2yuq s PRO 68 N -2.49 2.95 0.31 4.82 0.04 -1.26 -0.63 135.00 138.74 2yuq s PRO 68 Ca 0.30 0.89 0.05 0.00 0.04 0.00 0.00 61.00 62.27 2yuq s PRO 68 Cb -0.12 -4.29 0.83 0.00 0.04 0.00 0.00 34.50 30.96 2yuq s PRO 68 CO 0.22 -2.34 1.54 -1.13 0.04 0.00 0.00 177.00 175.33 2yuq n SER 69 N 11.57 -0.05 -0.29 6.66 3.41 -0.68 -0.05 113.62 134.19 2yuq n SER 69 Ca 0.21 1.66 0.09 0.00 -0.26 0.00 0.00 58.87 60.56 2yuq n SER 69 Cb 0.50 -0.63 0.18 0.00 -0.26 0.00 0.00 64.21 63.99 2yuq n SER 69 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2yuq n SER 70 N -5.43 -0.20 -0.10 4.04 7.64 -1.26 0.14 113.62 118.46 2yuq n SER 70 Ca 0.25 1.40 -0.10 0.00 1.01 0.00 0.00 58.87 61.43 2yuq n SER 70 Cb 0.83 -0.47 -0.03 0.00 -1.01 0.00 0.00 64.21 63.53 2yuq n SER 70 CO 0.00 0.00 0.00 1.88 -3.01 0.00 0.00 175.04 173.91 2yuq h TYR 71 N 0.00 0.50 -3.87 1.43 -1.99 -0.83 -3.43 116.97 108.77 2yuq h TYR 71 Ca 0.45 -0.06 -0.51 0.00 2.00 0.00 0.00 58.73 60.60 2yuq h TYR 71 Cb 0.81 -0.14 0.05 0.00 2.00 0.00 0.00 36.73 39.45 2yuq h TYR 71 CO -0.52 0.54 0.56 -0.51 -0.00 0.00 0.00 178.16 178.23 2yuq s LEU 72 N -9.65 4.42 -0.02 3.88 1.43 0.37 -0.98 118.68 118.13 2yuq s LEU 72 Ca -0.13 2.49 0.03 0.00 -1.03 0.00 0.00 54.13 55.48 2yuq s LEU 72 Cb 0.08 -3.72 -0.00 0.00 0.03 0.00 0.00 46.19 42.58 2yuq s LEU 72 CO 0.74 -0.45 -0.09 0.68 0.23 0.00 0.00 176.35 177.47 2yuq s VAL 73 N -1.20 0.76 -0.29 -1.59 -7.23 0.20 -4.87 120.40 106.19 2yuq s VAL 73 Ca 0.49 -0.37 -0.29 0.00 -1.81 0.00 0.00 61.98 60.01 2yuq s VAL 73 Cb -0.35 -0.67 -0.02 0.00 0.56 0.00 0.00 36.38 35.89 2yuq s VAL 73 CO 0.46 0.23 1.79 -0.70 -0.31 0.00 0.00 175.10 176.58 2yuq s GLU 74 N 0.06 3.45 -0.70 4.82 2.12 -1.26 -0.89 118.70 126.30 2yuq s GLU 74 Ca -0.01 1.56 -0.37 0.00 0.36 0.00 0.00 54.97 56.51 2yuq s GLU 74 Cb -0.07 -4.17 -0.19 0.00 0.26 0.00 0.00 34.13 29.96 2yuq s GLU 74 CO 0.00 -1.72 2.39 1.17 -0.54 0.00 0.00 175.26 176.57 2yuq n LYS 75 N 8.25 0.13 -2.25 4.30 3.00 -0.89 -4.84 118.16 125.87 2yuq n LYS 75 Ca 0.22 0.02 -0.41 0.00 -0.00 0.00 0.00 58.31 58.15 2yuq n LYS 75 Cb 0.46 -1.66 -0.03 0.00 0.00 0.00 0.00 35.03 33.81 2yuq n LYS 75 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 2yuq s SER 76 N 7.63 6.95 0.25 3.14 1.04 -1.26 -4.91 113.70 126.54 2yuq s SER 76 Ca 1.25 2.43 0.23 0.00 0.48 0.00 0.00 55.95 60.35 2yuq s SER 76 Cb -1.29 -2.62 0.97 0.00 0.10 0.00 0.00 66.02 63.17 2yuq s SER 76 CO 0.56 -0.45 1.70 -0.81 0.98 0.00 0.00 173.24 175.22 2yuq n PRO 77 N 1.92 0.19 0.00 4.02 -0.04 -1.26 -3.76 135.00 136.07 2yuq n PRO 77 Ca 0.03 0.42 -0.07 0.00 -0.04 0.00 0.00 63.50 63.84 2yuq n PRO 77 Cb 0.43 -1.86 -0.04 0.00 -0.04 0.00 0.00 33.50 31.99 2yuq n PRO 77 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 2yuq h ASN 78 N 0.00 -0.76 -3.25 3.54 4.21 -2.00 -3.41 115.58 113.91 2yuq h ASN 78 Ca 0.00 0.09 -0.53 0.00 1.21 0.00 0.00 56.30 57.07 2yuq h ASN 78 Cb 0.35 0.30 -0.36 0.00 -1.12 0.00 0.00 38.32 37.49 2yuq h ASN 78 CO 0.00 -0.22 -0.81 0.21 -1.29 0.00 0.00 177.43 175.32 2yuq s ASN 79 N -3.56 2.10 -0.17 5.81 2.47 -1.25 -5.12 114.94 115.22 2yuq s ASN 79 Ca -0.07 -0.32 -0.23 0.00 0.42 0.00 0.00 52.86 52.66 2yuq s ASN 79 Cb 0.03 -0.88 -0.02 0.00 -1.45 0.00 0.00 41.25 38.93 2yuq s ASN 79 CO 0.27 -0.06 0.74 -0.76 -3.72 0.00 0.00 177.10 173.57 2yuq s LEU 80 N 1.32 4.17 -0.41 3.21 2.01 -1.26 -4.82 118.68 122.91 2yuq s LEU 80 Ca -0.02 1.04 0.01 0.00 0.01 0.00 0.00 54.13 55.17 2yuq s LEU 80 Cb -0.14 -3.08 0.11 0.00 0.01 0.00 0.00 46.19 43.09 2yuq s LEU 80 CO -0.04 -0.32 0.16 -1.61 1.01 0.00 0.00 176.35 175.54 2yuq s GLU 81 N 1.94 1.81 0.02 1.70 2.02 -1.26 -5.09 118.70 119.83 2yuq s GLU 81 Ca 0.34 -1.98 -0.12 0.00 0.02 0.00 0.00 54.97 53.23 2yuq s GLU 81 Cb -0.16 -3.41 -0.06 0.00 0.10 0.00 0.00 34.13 30.60 2yuq s GLU 81 CO 0.12 -1.03 0.38 0.99 0.02 0.00 0.00 175.26 175.75 2yuq s THR 82 N 0.81 5.09 -0.06 3.63 2.01 -1.26 -5.09 115.64 120.77 2yuq s THR 82 Ca 0.11 0.66 -0.01 0.00 0.31 0.00 0.00 61.69 62.76 2yuq s THR 82 Cb -0.21 -3.66 0.03 0.00 0.01 0.00 0.00 72.50 68.66 2yuq s THR 82 CO -0.05 0.49 -0.01 -0.31 -0.69 0.00 0.00 174.62 174.04 2yuq s TYR 83 N -1.18 0.64 -0.47 4.92 2.02 -1.26 -5.11 117.35 116.91 2yuq s TYR 83 Ca 0.26 -0.15 -0.07 0.00 -0.37 0.00 0.00 57.07 56.74 2yuq s TYR 83 Cb -0.15 -0.72 0.12 0.00 -0.40 0.00 0.00 41.96 40.81 2yuq s TYR 83 CO 0.14 -0.27 0.32 -1.83 -1.57 0.00 0.00 175.55 172.34 2yuq s GLU 84 N 1.58 2.35 0.00 -0.62 -1.05 -1.26 -4.86 118.70 114.85 2yuq s GLU 84 Ca -0.01 -1.87 0.15 0.00 -0.15 0.00 0.00 54.97 53.09 2yuq s GLU 84 Cb -0.13 -3.81 0.88 0.00 -0.44 0.00 0.00 34.13 30.64 2yuq s GLU 84 CO -0.03 -1.16 1.30 0.91 0.95 0.00 0.00 175.26 177.23