#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yuq s SER 2 N 0.00 2.21 -0.07 1.61 0.01 -1.26 -5.07 113.70 111.13 2yuq s SER 2 Ca 0.00 -1.25 -0.25 0.00 1.31 0.00 0.00 55.95 55.76 2yuq s SER 2 Cb 0.00 -0.06 -0.25 0.00 0.21 0.00 0.00 66.02 65.92 2yuq s SER 2 CO 0.00 -0.49 0.96 -1.28 0.41 0.00 0.00 173.24 172.84 2yuq h SER 3 N 2.33 0.21 0.00 2.44 0.87 -2.13 -3.50 113.55 113.76 2yuq h SER 3 Ca -0.39 -0.84 0.00 0.00 -1.23 0.00 0.00 61.79 59.33 2yuq h SER 3 Cb 1.23 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 63.13 2yuq h SER 3 CO 0.66 1.03 0.00 0.61 -0.53 0.00 0.00 176.83 178.60 2yuq n GLY 4 N 1.23 0.56 3.53 5.77 0.00 -1.26 -5.11 105.19 109.92 2yuq n GLY 4 Ca -0.10 -1.03 -0.33 0.00 0.00 0.00 0.00 46.02 44.55 2yuq n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2yuq n SER 5 N 0.00 -0.78 -0.12 1.61 2.88 -1.26 -4.97 113.62 110.99 2yuq n SER 5 Ca 0.00 0.46 -0.25 0.00 -1.33 0.00 0.00 58.87 57.75 2yuq n SER 5 Cb 0.00 -1.32 -0.11 0.00 -0.75 0.00 0.00 64.21 62.03 2yuq n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2yuq n SER 6 N -2.00 1.95 -0.79 -3.46 7.64 -1.26 -5.05 113.62 110.66 2yuq n SER 6 Ca 0.10 0.27 0.00 0.00 1.01 0.00 0.00 58.87 60.24 2yuq n SER 6 Cb 0.52 -0.79 0.00 0.00 -1.01 0.00 0.00 64.21 62.93 2yuq n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yuq n GLY 7 N 1.54 0.52 3.80 0.23 0.00 -1.26 -5.06 105.19 104.96 2yuq n GLY 7 Ca -0.46 -0.43 -0.30 0.00 0.00 0.00 0.00 46.02 44.84 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 -3.33 2.09 -0.18 1.61 2.02 -1.26 -5.09 118.70 114.56 2yuq s GLU 8 Ca 0.00 0.64 -0.28 0.00 0.02 0.00 0.00 54.97 55.35 2yuq s GLU 8 Cb 0.00 -1.92 0.08 0.00 0.10 0.00 0.00 34.13 32.39 2yuq s GLU 8 CO 0.00 -1.62 0.77 -0.51 0.02 0.00 0.00 175.26 173.92 2yuq s ASP 9 N -3.91 -0.64 0.11 -0.19 1.01 -1.26 -5.15 116.67 106.63 2yuq s ASP 9 Ca 0.61 1.01 -0.30 0.00 0.71 0.00 0.00 52.55 54.58 2yuq s ASP 9 Cb -0.14 0.94 -0.06 0.00 1.01 0.00 0.00 42.92 44.67 2yuq s ASP 9 CO 0.54 -0.38 0.94 0.54 0.21 0.00 0.00 175.17 177.02 2yuq s ASN 10 N -0.37 7.47 0.27 0.27 2.20 -1.26 -5.00 114.94 118.53 2yuq s ASN 10 Ca -0.04 1.76 -0.30 0.00 -0.94 0.00 0.00 52.86 53.34 2yuq s ASN 10 Cb -0.03 -2.58 -0.11 0.00 -2.00 0.00 0.00 41.25 36.54 2yuq s ASN 10 CO 0.04 -0.05 1.57 -0.60 -2.94 0.00 0.00 177.10 175.11 2yuq s ARG 11 N -0.03 4.16 0.08 3.55 3.52 -1.26 -5.00 118.95 123.97 2yuq s ARG 11 Ca 0.46 2.51 -0.02 0.00 -0.13 0.00 0.00 55.73 58.54 2yuq s ARG 11 Cb -0.23 -3.05 -0.05 0.00 -1.56 0.00 0.00 34.95 30.06 2yuq s ARG 11 CO 0.29 -0.59 0.28 1.03 -0.81 0.00 0.00 175.30 175.50 2yuq s ARG 12 N -0.29 3.52 1.14 5.12 0.52 -1.26 -5.10 118.95 122.60 2yuq s ARG 12 Ca 0.63 -0.27 -0.17 0.00 -0.52 0.00 0.00 55.73 55.40 2yuq s ARG 12 Cb -0.46 -2.97 0.26 0.00 0.52 0.00 0.00 34.95 32.29 2yuq s ARG 12 CO 0.45 0.56 1.11 -1.25 0.02 0.00 0.00 175.30 176.19 2yuq s PRO 13 N -2.47 -0.75 -0.15 3.54 0.04 -1.26 -5.04 135.00 128.90 2yuq s PRO 13 Ca 0.36 0.10 -0.12 0.00 0.04 0.00 0.00 61.00 61.39 2yuq s PRO 13 Cb -0.13 -1.64 -0.06 0.00 0.04 0.00 0.00 34.50 32.71 2yuq s PRO 13 CO 0.25 -3.43 -0.26 1.28 0.04 0.00 0.00 177.00 174.88 2yuq n LEU 14 N -4.59 1.57 0.00 -3.56 7.99 -1.26 -5.05 117.00 112.10 2yuq n LEU 14 Ca 0.11 0.26 -0.24 0.00 -0.01 0.00 0.00 56.01 56.13 2yuq n LEU 14 Cb 0.59 -0.61 0.15 0.00 -0.11 0.00 0.00 43.42 43.43 2yuq n LEU 14 CO 0.49 -0.00 0.66 0.79 -1.51 0.00 0.00 177.39 177.81 2yuq n TRP 15 N -4.05 -3.47 -4.37 -1.77 7.02 -1.26 -5.11 117.44 104.43 2yuq n TRP 15 Ca -0.25 -1.36 -0.27 0.00 -1.02 0.00 0.00 57.50 54.61 2yuq n TRP 15 Cb 0.57 -0.80 -0.11 0.00 -2.42 0.00 0.00 31.31 28.55 2yuq n TRP 15 CO 0.00 0.00 0.00 -1.21 -2.02 0.00 0.00 177.69 174.46 2yuq s GLU 16 N -5.27 1.73 0.13 -0.99 2.02 -1.26 -5.05 118.70 110.01 2yuq s GLU 16 Ca 0.65 -1.41 -0.12 0.00 0.02 0.00 0.00 54.97 54.10 2yuq s GLU 16 Cb -0.03 -1.98 -0.06 0.00 0.10 0.00 0.00 34.13 32.17 2yuq s GLU 16 CO 0.44 0.42 1.45 -1.00 0.02 0.00 0.00 175.26 176.59 2yuq h PRO 17 N 3.11 0.85 -0.35 0.39 0.13 -2.04 -3.23 132.00 130.87 2yuq h PRO 17 Ca -0.47 -0.45 -0.10 0.00 -0.87 0.00 0.00 66.00 64.11 2yuq h PRO 17 Cb 1.20 0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 2yuq h PRO 17 CO 0.50 1.09 -0.17 1.49 -0.23 0.00 0.00 178.00 180.69 2yuq h GLU 18 N 0.64 0.73 -7.08 0.86 4.81 -2.07 -3.45 114.58 109.03 2yuq h GLU 18 Ca 0.05 -0.32 -0.48 0.00 -0.13 0.00 0.00 59.36 58.49 2yuq h GLU 18 Cb 0.94 -0.02 0.21 0.00 0.63 0.00 0.00 28.75 30.51 2yuq h GLU 18 CO 0.09 0.93 -0.12 0.39 -0.73 0.00 0.00 179.01 179.56 2yuq n GLU 19 N -4.32 -1.46 -3.51 1.92 -0.58 -1.22 -4.97 120.64 106.50 2yuq n GLU 19 Ca -0.02 -0.38 -0.42 0.00 -0.42 0.00 0.00 57.16 55.91 2yuq n GLU 19 Cb 0.40 -2.15 -0.10 0.00 -0.57 0.00 0.00 31.44 29.02 2yuq n GLU 19 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 2yuq s THR 20 N -2.46 4.79 -0.15 2.62 2.01 -1.26 -4.89 115.64 116.29 2yuq s THR 20 Ca 0.65 -1.04 -0.08 0.00 0.31 0.00 0.00 61.69 61.54 2yuq s THR 20 Cb -0.23 -3.80 -0.04 0.00 0.01 0.00 0.00 72.50 68.44 2yuq s THR 20 CO 0.63 -0.42 0.13 -0.69 -0.69 0.00 0.00 174.62 173.58 2yuq s VAL 21 N 1.57 5.45 0.12 3.82 1.01 -1.26 -2.13 120.40 128.98 2yuq s VAL 21 Ca 0.03 0.19 0.06 0.00 0.00 0.00 0.00 61.98 62.27 2yuq s VAL 21 Cb -0.22 -3.41 -0.04 0.00 0.00 0.00 0.00 36.38 32.71 2yuq s VAL 21 CO 0.06 0.55 -0.15 0.68 0.00 0.00 0.00 175.10 176.24 2yuq s VAL 22 N -0.52 1.43 0.19 2.92 -7.23 -0.75 -2.34 120.40 114.11 2yuq s VAL 22 Ca 0.12 -1.70 0.11 0.00 -1.81 0.00 0.00 61.98 58.70 2yuq s VAL 22 Cb -0.12 -1.55 -0.04 0.00 0.56 0.00 0.00 36.38 35.23 2yuq s VAL 22 CO 0.02 -0.35 -0.24 -0.63 -0.31 0.00 0.00 175.10 173.59 2yuq s ILE 23 N -1.96 2.32 -0.06 -0.62 1.09 -0.52 0.29 121.20 121.73 2yuq s ILE 23 Ca 0.09 -2.01 -0.15 0.00 -1.10 0.00 0.00 60.65 57.48 2yuq s ILE 23 Cb -0.06 -2.10 -0.05 0.00 -1.06 0.00 0.00 42.46 39.19 2yuq s ILE 23 CO 0.04 -0.11 0.38 0.00 -0.10 0.00 0.00 174.94 175.15 2yuq s ALA 24 N -1.65 3.64 -0.06 9.38 0.00 -1.10 -0.37 121.76 131.60 2yuq s ALA 24 Ca 0.20 -0.28 0.13 0.00 0.00 0.00 0.00 51.96 52.01 2yuq s ALA 24 Cb -0.08 -2.42 -0.10 0.00 0.00 0.00 0.00 23.12 20.52 2yuq s ALA 24 CO 0.09 0.31 1.13 -0.07 0.00 0.00 0.00 175.76 177.22 2yuq h LEU 25 N 5.55 0.00 -8.13 0.00 3.38 -1.33 -3.20 115.31 111.58 2yuq h LEU 25 Ca -0.47 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.37 2yuq h LEU 25 Cb 1.20 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.81 2yuq h LEU 25 CO 0.67 0.71 -0.49 -0.31 0.09 0.00 0.00 178.44 179.11 2yuq s TYR 26 N -2.84 0.48 -0.85 1.13 1.51 -1.26 -4.86 117.35 110.65 2yuq s TYR 26 Ca 0.00 -0.90 -0.23 0.00 -1.01 0.00 0.00 57.07 54.93 2yuq s TYR 26 Cb 0.09 -0.24 0.06 0.00 -0.11 0.00 0.00 41.96 41.76 2yuq s TYR 26 CO 0.79 -0.55 1.24 -0.51 -1.11 0.00 0.00 175.55 175.41 2yuq s ASP 27 N -2.95 6.37 -0.04 2.29 1.11 -1.26 -4.22 116.67 117.97 2yuq s ASP 27 Ca 0.14 -1.20 -0.30 0.00 0.18 0.00 0.00 52.55 51.36 2yuq s ASP 27 Cb 0.06 -2.50 -0.03 0.00 1.07 0.00 0.00 42.92 41.51 2yuq s ASP 27 CO -0.05 -1.50 1.13 -0.47 1.18 0.00 0.00 175.17 175.47 2yuq s TYR 28 N 4.55 3.36 -0.09 4.23 5.04 -1.03 -4.89 117.35 128.52 2yuq s TYR 28 Ca 0.36 1.37 0.03 0.00 -2.44 0.00 0.00 57.07 56.38 2yuq s TYR 28 Cb -0.06 -3.33 -0.02 0.00 0.35 0.00 0.00 41.96 38.89 2yuq s TYR 28 CO 0.01 -0.91 -0.17 -0.65 -1.34 0.00 0.00 175.55 172.49 2yuq s GLN 29 N 1.80 2.91 0.03 4.97 -0.21 -1.26 -1.52 119.66 126.38 2yuq s GLN 29 Ca 0.54 -0.75 0.01 0.00 0.02 0.00 0.00 55.36 55.19 2yuq s GLN 29 Cb -0.24 -2.43 -0.02 0.00 1.00 0.00 0.00 33.01 31.32 2yuq s GLN 29 CO 0.23 0.38 -0.05 -0.08 -2.12 0.00 0.00 175.29 173.65 2yuq s THR 30 N -0.11 0.29 -0.12 -0.19 -1.32 -1.26 -5.02 115.64 107.91 2yuq s THR 30 Ca -0.03 -1.01 0.16 0.00 -1.21 0.00 0.00 61.69 59.61 2yuq s THR 30 Cb -0.14 -0.44 -0.23 0.00 -1.51 0.00 0.00 72.50 70.18 2yuq s THR 30 CO 0.04 -0.47 0.42 0.59 -2.21 0.00 0.00 174.62 172.99 2yuq n ASN 31 N 1.50 0.45 -4.77 8.08 4.13 -1.26 -4.88 115.26 118.50 2yuq n ASN 31 Ca -0.23 0.21 -0.40 0.00 1.68 0.00 0.00 54.58 55.83 2yuq n ASN 31 Cb 0.55 0.53 -0.00 0.00 -1.54 0.00 0.00 39.78 39.32 2yuq n ASN 31 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 2yuq s ASP 32 N -5.71 6.33 0.33 6.41 -1.08 -1.26 -4.92 116.67 116.77 2yuq s ASP 32 Ca -0.07 2.87 0.12 0.00 -0.52 0.00 0.00 52.55 54.95 2yuq s ASP 32 Cb 0.08 -2.66 0.57 0.00 -1.46 0.00 0.00 42.92 39.45 2yuq s ASP 32 CO 0.83 -0.86 1.73 1.55 0.52 0.00 0.00 175.17 178.94 2yuq h PRO 33 N 2.87 0.00 -0.11 4.34 0.13 -2.03 -3.17 132.00 134.03 2yuq h PRO 33 Ca -0.50 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.51 2yuq h PRO 33 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2yuq h PRO 33 CO 0.63 0.48 -0.39 1.96 -0.23 0.00 0.00 178.00 180.45 2yuq h GLN 34 N 0.00 0.45 -7.02 0.86 1.08 -1.95 -3.45 115.11 105.08 2yuq h GLN 34 Ca -0.00 -0.34 -0.50 0.00 -1.45 0.00 0.00 58.65 56.35 2yuq h GLN 34 Cb 0.85 0.06 0.06 0.00 -0.05 0.00 0.00 27.48 28.41 2yuq h GLN 34 CO 0.06 0.97 0.47 -1.21 -0.95 0.00 0.00 178.83 178.17 2yuq s GLU 35 N -3.76 3.69 0.02 1.46 2.02 -1.20 -3.04 118.70 117.90 2yuq s GLU 35 Ca -0.13 1.72 0.03 0.00 0.02 0.00 0.00 54.97 56.60 2yuq s GLU 35 Cb 0.05 -2.32 -0.04 0.00 0.10 0.00 0.00 34.13 31.92 2yuq s GLU 35 CO 0.80 -0.59 -0.03 -1.17 0.02 0.00 0.00 175.26 174.29 2yuq s LEU 36 N -3.18 3.37 -0.44 1.80 2.96 -1.22 -4.78 118.68 117.19 2yuq s LEU 36 Ca 0.65 -0.10 -0.19 0.00 -0.22 0.00 0.00 54.13 54.27 2yuq s LEU 36 Cb -0.27 -1.98 0.03 0.00 0.50 0.00 0.00 46.19 44.47 2yuq s LEU 36 CO 0.32 0.26 0.56 0.00 -1.32 0.00 0.00 176.35 176.16 2yuq s ALA 37 N -1.11 3.38 0.74 5.97 0.00 -1.26 -4.74 121.76 124.75 2yuq s ALA 37 Ca 0.20 -1.41 -0.11 0.00 0.00 0.00 0.00 51.96 50.64 2yuq s ALA 37 Cb -0.11 -3.21 0.04 0.00 0.00 0.00 0.00 23.12 19.84 2yuq s ALA 37 CO 0.11 -1.74 1.09 -0.51 0.00 0.00 0.00 175.76 174.72 2yuq s LEU 38 N 2.51 3.12 -0.05 0.00 1.43 -0.57 -4.86 118.68 120.26 2yuq s LEU 38 Ca 0.17 1.84 0.05 0.00 -1.03 0.00 0.00 54.13 55.17 2yuq s LEU 38 Cb -0.16 -4.53 -0.01 0.00 0.03 0.00 0.00 46.19 41.53 2yuq s LEU 38 CO 0.16 -1.90 -0.21 -0.60 0.23 0.00 0.00 176.35 174.03 2yuq s ARG 39 N -4.74 2.17 0.11 1.70 6.06 -1.26 -2.47 118.95 120.52 2yuq s ARG 39 Ca 0.62 -0.74 -0.31 0.00 -2.50 0.00 0.00 55.73 52.80 2yuq s ARG 39 Cb -0.18 -1.85 -0.10 0.00 0.06 0.00 0.00 34.95 32.89 2yuq s ARG 39 CO 0.53 0.29 1.75 0.50 -2.50 0.00 0.00 175.30 175.87 2yuq s ARG 40 N -0.02 4.16 -0.36 5.12 3.52 -1.26 -2.95 118.95 127.16 2yuq s ARG 40 Ca -0.05 2.49 -0.01 0.00 -0.13 0.00 0.00 55.73 58.04 2yuq s ARG 40 Cb -0.13 -3.56 -0.01 0.00 -1.56 0.00 0.00 34.95 29.69 2yuq s ARG 40 CO 0.03 -0.79 0.31 0.09 -0.81 0.00 0.00 175.30 174.13 2yuq n ASN 41 N 5.52 -2.62 -3.76 -2.12 4.13 -1.21 -5.00 115.26 110.20 2yuq n ASN 41 Ca 0.17 -0.21 -0.12 0.00 1.68 0.00 0.00 54.58 56.09 2yuq n ASN 41 Cb 0.39 -1.99 -0.12 0.00 -1.54 0.00 0.00 39.78 36.52 2yuq n ASN 41 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 2yuq s GLU 42 N -4.03 0.28 0.38 3.52 0.41 -1.15 -5.02 118.70 113.09 2yuq s GLU 42 Ca 0.06 0.46 -0.10 0.00 -0.41 0.00 0.00 54.97 54.98 2yuq s GLU 42 Cb -0.01 0.04 -0.07 0.00 -1.78 0.00 0.00 34.13 32.32 2yuq s GLU 42 CO 0.23 -0.09 0.73 -1.21 -0.49 0.00 0.00 175.26 174.44 2yuq s GLU 43 N 0.63 3.78 -0.13 1.61 2.02 -1.26 -2.73 118.70 122.62 2yuq s GLU 43 Ca -0.04 0.43 -0.07 0.00 0.02 0.00 0.00 54.97 55.31 2yuq s GLU 43 Cb -0.05 -2.43 0.05 0.00 0.10 0.00 0.00 34.13 31.80 2yuq s GLU 43 CO -0.04 0.02 0.31 0.71 0.02 0.00 0.00 175.26 176.29 2yuq s TYR 44 N -2.28 -0.45 -0.07 1.61 1.51 0.14 -4.68 117.35 113.13 2yuq s TYR 44 Ca 0.50 1.00 -0.30 0.00 -1.01 0.00 0.00 57.07 57.27 2yuq s TYR 44 Cb -0.10 0.13 -0.03 0.00 -0.11 0.00 0.00 41.96 41.85 2yuq s TYR 44 CO 0.29 -0.28 1.28 0.00 -1.11 0.00 0.00 175.55 175.73 2yuq s LEU 46 N 2.70 3.29 0.00 0.00 2.96 -0.90 -2.91 118.68 123.82 2yuq s LEU 46 Ca 0.58 0.15 -0.07 0.00 -0.22 0.00 0.00 54.13 54.57 2yuq s LEU 46 Cb -0.26 -2.71 -0.04 0.00 0.50 0.00 0.00 46.19 43.68 2yuq s LEU 46 CO 0.21 -2.03 0.76 -0.07 -1.32 0.00 0.00 176.35 173.90 2yuq h LEU 47 N 14.53 -0.21 -7.68 -0.68 3.38 -1.31 -3.46 115.31 119.87 2yuq h LEU 47 Ca -0.27 0.01 -0.16 0.00 0.09 0.00 0.00 57.88 57.55 2yuq h LEU 47 Cb 1.11 0.06 -0.23 0.00 0.09 0.00 0.00 40.66 41.69 2yuq h LEU 47 CO 1.22 -0.10 -0.50 -0.62 0.09 0.00 0.00 178.44 178.52 2yuq s ASP 48 N -2.96 -0.04 -0.43 -0.43 2.15 -1.09 -5.04 116.67 108.83 2yuq s ASP 48 Ca -0.04 -0.02 0.04 0.00 0.43 0.00 0.00 52.55 52.97 2yuq s ASP 48 Cb 0.00 0.25 0.48 0.00 -0.30 0.00 0.00 42.92 43.36 2yuq s ASP 48 CO 0.11 -0.26 1.59 -1.54 -0.17 0.00 0.00 175.17 174.90 2yuq n SER 49 N 1.99 5.10 -0.30 -0.34 3.41 -1.26 -1.94 113.62 120.28 2yuq n SER 49 Ca -0.19 -3.77 0.24 0.00 -0.26 0.00 0.00 58.87 54.89 2yuq n SER 49 Cb 0.57 -0.66 0.45 0.00 -0.26 0.00 0.00 64.21 64.31 2yuq n SER 49 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2yuq n SER 50 N -0.92 0.19 -4.35 4.04 2.88 -1.26 -4.46 113.62 109.74 2yuq n SER 50 Ca 0.48 1.53 -0.22 0.00 -1.33 0.00 0.00 58.87 59.33 2yuq n SER 50 Cb 0.94 -0.69 0.00 0.00 -0.75 0.00 0.00 64.21 63.71 2yuq n SER 50 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2yuq n GLU 51 N -5.15 0.82 -0.09 -1.46 -0.58 -1.25 -5.09 120.64 107.84 2yuq n GLU 51 Ca 0.31 -2.85 -0.18 0.00 -0.42 0.00 0.00 57.16 54.02 2yuq n GLU 51 Cb 1.03 0.31 -0.07 0.00 -0.57 0.00 0.00 31.44 32.14 2yuq n GLU 51 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 2yuq n ILE 52 N -1.57 0.99 0.01 -3.67 5.41 -1.26 -4.71 119.36 114.56 2yuq n ILE 52 Ca -0.02 -0.28 -0.18 0.00 1.00 0.00 0.00 62.75 63.27 2yuq n ILE 52 Cb 0.52 -1.60 -0.11 0.00 -0.71 0.00 0.00 39.64 37.74 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 -0.50 0.68 -3.47 1.39 3.86 -1.97 -3.41 115.15 111.73 2yuq h HIS 53 Ca -0.44 -0.37 -0.64 0.00 -1.16 0.00 0.00 60.37 57.75 2yuq h HIS 53 Cb 1.44 -0.08 -0.23 0.00 1.06 0.00 0.00 27.41 29.61 2yuq h HIS 53 CO -0.04 1.19 -0.65 -1.58 0.86 0.00 0.00 177.93 177.71 2yuq s TRP 54 N -3.20 3.05 0.20 2.45 0.52 -1.26 -0.44 118.94 120.26 2yuq s TRP 54 Ca -0.13 -0.45 0.10 0.00 0.02 0.00 0.00 56.10 55.64 2yuq s TRP 54 Cb 0.04 -2.12 -0.04 0.00 -1.15 0.00 0.00 33.47 30.20 2yuq s TRP 54 CO 0.84 -0.26 -0.14 -1.58 0.02 0.00 0.00 176.95 175.83 2yuq s TRP 55 N 1.12 2.52 -0.32 -1.98 0.51 -0.23 -3.86 118.94 116.70 2yuq s TRP 55 Ca 0.03 -0.27 -0.11 0.00 -2.12 0.00 0.00 56.10 53.63 2yuq s TRP 55 Cb -0.14 -1.22 -0.02 0.00 -0.81 0.00 0.00 33.47 31.28 2yuq s TRP 55 CO 0.02 0.53 0.20 0.50 -0.51 0.00 0.00 176.95 177.69 2yuq s ARG 56 N -2.90 3.54 0.24 4.98 3.52 -0.82 -2.08 118.95 125.43 2yuq s ARG 56 Ca 0.25 -0.60 0.02 0.00 -0.13 0.00 0.00 55.73 55.27 2yuq s ARG 56 Cb -0.08 -3.69 -0.05 0.00 -1.56 0.00 0.00 34.95 29.57 2yuq s ARG 56 CO 0.14 -0.37 0.05 0.14 -0.81 0.00 0.00 175.30 174.45 2yuq s VAL 57 N 1.69 0.73 -0.00 7.11 -7.23 -1.22 -0.78 120.40 120.70 2yuq s VAL 57 Ca 0.06 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.27 2yuq s VAL 57 Cb -0.17 -2.47 -0.01 0.00 0.56 0.00 0.00 36.38 34.29 2yuq s VAL 57 CO 0.09 -0.17 -0.13 -1.58 -0.31 0.00 0.00 175.10 173.00 2yuq s GLN 58 N -3.96 1.03 0.72 4.82 0.74 -1.14 -2.74 119.66 119.12 2yuq s GLN 58 Ca 0.33 -0.50 -0.10 0.00 0.05 0.00 0.00 55.36 55.14 2yuq s GLN 58 Cb 0.07 -1.00 0.04 0.00 1.10 0.00 0.00 33.01 33.22 2yuq s GLN 58 CO 0.11 0.27 1.08 0.34 -0.55 0.00 0.00 175.29 176.53 2yuq s ASP 59 N -0.40 5.11 0.33 6.67 2.15 0.15 -3.42 116.67 127.26 2yuq s ASP 59 Ca 0.05 0.87 0.02 0.00 0.43 0.00 0.00 52.55 53.91 2yuq s ASP 59 Cb -0.05 -1.59 0.60 0.00 -0.30 0.00 0.00 42.92 41.57 2yuq s ASP 59 CO -0.00 -1.49 1.96 -0.09 -0.17 0.00 0.00 175.17 175.37 2yuq h ARG 60 N -0.68 0.90 -0.01 4.34 2.43 -1.89 -2.78 114.38 116.69 2yuq h ARG 60 Ca -0.45 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 58.66 2yuq h ARG 60 Cb 1.28 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 30.63 2yuq h ARG 60 CO 0.63 0.60 -0.02 -0.91 -1.51 0.00 0.00 179.97 178.76 2yuq h ASN 61 N 0.93 0.03 0.00 -3.80 4.21 -2.00 -3.47 115.58 111.49 2yuq h ASN 61 Ca 0.31 -0.60 0.00 0.00 1.21 0.00 0.00 56.30 57.22 2yuq h ASN 61 Cb 0.08 -0.01 0.00 0.00 -1.12 0.00 0.00 38.32 37.27 2yuq h ASN 61 CO -0.09 0.63 0.00 0.61 -1.29 0.00 0.00 177.43 177.28 2yuq n GLY 62 N 0.53 0.00 3.33 2.83 0.00 -1.05 -5.14 105.19 105.70 2yuq n GLY 62 Ca -0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.58 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 0.00 2.98 0.34 1.61 3.76 -1.26 -4.83 115.29 117.89 2yuq s HIS 63 Ca 0.00 -0.84 0.05 0.00 -0.15 0.00 0.00 55.06 54.12 2yuq s HIS 63 Cb 0.00 -2.12 -0.07 0.00 1.11 0.00 0.00 32.58 31.50 2yuq s HIS 63 CO 0.00 -0.50 0.02 -1.83 -0.85 0.00 0.00 174.74 171.57 2yuq s GLU 64 N 1.46 1.73 0.00 1.40 4.04 -1.26 0.34 118.70 126.42 2yuq s GLU 64 Ca 0.05 -1.95 0.00 0.00 0.04 0.00 0.00 54.97 53.11 2yuq s GLU 64 Cb -0.14 -1.18 0.00 0.00 0.02 0.00 0.00 34.13 32.83 2yuq s GLU 64 CO -0.02 -0.09 0.00 0.41 -1.84 0.00 0.00 175.26 173.72 2yuq n GLY 65 N -0.76 -1.44 3.55 -3.83 0.00 -1.11 -4.65 105.19 96.97 2yuq n GLY 65 Ca -0.04 -1.11 -0.42 0.00 0.00 0.00 0.00 46.02 44.46 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 -2.91 3.16 0.17 1.61 2.02 -1.17 -3.38 117.35 116.84 2yuq s TYR 66 Ca 0.00 0.19 0.10 0.00 -0.37 0.00 0.00 57.07 56.99 2yuq s TYR 66 Cb 0.00 -3.04 -0.04 0.00 -0.40 0.00 0.00 41.96 38.48 2yuq s TYR 66 CO 0.00 -0.61 -0.21 0.14 -1.57 0.00 0.00 175.55 173.30 2yuq s VAL 67 N 2.54 2.00 -0.39 0.71 -7.23 -0.88 -3.44 120.40 113.70 2yuq s VAL 67 Ca 0.21 -1.91 -0.28 0.00 -1.81 0.00 0.00 61.98 58.19 2yuq s VAL 67 Cb -0.15 -1.91 -0.01 0.00 0.56 0.00 0.00 36.38 34.87 2yuq s VAL 67 CO 0.14 -0.21 1.73 -2.16 -0.31 0.00 0.00 175.10 174.30 2yuq s PRO 68 N -2.63 3.26 0.34 4.82 0.04 -1.26 -1.06 135.00 138.51 2yuq s PRO 68 Ca 0.16 1.19 0.14 0.00 0.04 0.00 0.00 61.00 62.53 2yuq s PRO 68 Cb -0.07 -4.20 1.11 0.00 0.04 0.00 0.00 34.50 31.39 2yuq s PRO 68 CO 0.07 -1.95 1.60 0.66 0.04 0.00 0.00 177.00 177.43 2yuq h SER 69 N 12.80 0.17 -0.94 6.66 4.64 -0.99 0.17 113.55 136.06 2yuq h SER 69 Ca -0.31 0.24 0.17 0.00 -0.47 0.00 0.00 61.79 61.42 2yuq h SER 69 Cb 1.15 0.29 -0.17 0.00 -0.31 0.00 0.00 62.40 63.36 2yuq h SER 69 CO 1.07 -0.33 -0.30 0.28 -0.87 0.00 0.00 176.83 176.68 2yuq h SER 70 N 0.09 -1.10 -0.82 4.97 0.02 -1.89 0.92 113.55 115.74 2yuq h SER 70 Ca 0.75 0.29 0.02 0.00 -0.84 0.00 0.00 61.79 62.01 2yuq h SER 70 Cb 1.82 0.65 -0.04 0.00 0.14 0.00 0.00 62.40 64.96 2yuq h SER 70 CO -0.76 -0.30 0.54 1.88 -1.14 0.00 0.00 176.83 177.05 2yuq h TYR 71 N -0.01 1.00 -3.85 3.45 -1.99 -1.03 -3.42 116.97 111.12 2yuq h TYR 71 Ca 0.40 0.02 -0.49 0.00 2.00 0.00 0.00 58.73 60.67 2yuq h TYR 71 Cb 0.65 -0.34 0.00 0.00 2.00 0.00 0.00 36.73 39.04 2yuq h TYR 71 CO -0.77 0.60 0.40 -0.51 -0.00 0.00 0.00 178.16 177.88 2yuq s LEU 72 N -9.91 4.43 0.00 3.88 1.43 0.32 -0.87 118.68 117.96 2yuq s LEU 72 Ca -0.11 2.05 0.01 0.00 -1.03 0.00 0.00 54.13 55.04 2yuq s LEU 72 Cb 0.18 -3.84 -0.00 0.00 0.03 0.00 0.00 46.19 42.56 2yuq s LEU 72 CO 0.79 -0.14 -0.03 0.68 0.23 0.00 0.00 176.35 177.88 2yuq s VAL 73 N -1.38 0.25 -0.32 -1.59 -7.23 0.50 -4.89 120.40 105.74 2yuq s VAL 73 Ca 0.48 -0.24 -0.28 0.00 -1.81 0.00 0.00 61.98 60.13 2yuq s VAL 73 Cb -0.25 -0.24 -0.03 0.00 0.56 0.00 0.00 36.38 36.42 2yuq s VAL 73 CO 0.32 0.00 1.92 -0.70 -0.31 0.00 0.00 175.10 176.33 2yuq s GLU 74 N -0.26 3.22 -0.39 4.82 2.12 -1.26 -1.43 118.70 125.51 2yuq s GLU 74 Ca -0.01 1.53 -0.43 0.00 0.36 0.00 0.00 54.97 56.43 2yuq s GLU 74 Cb -0.02 -4.26 -0.17 0.00 0.26 0.00 0.00 34.13 29.94 2yuq s GLU 74 CO -0.00 -1.99 1.79 1.17 -0.54 0.00 0.00 175.26 175.69 2yuq n LYS 75 N 8.55 0.60 -1.18 4.30 4.81 -0.99 -4.78 118.16 129.47 2yuq n LYS 75 Ca 0.25 0.21 -0.38 0.00 -0.87 0.00 0.00 58.31 57.52 2yuq n LYS 75 Cb 0.47 -1.85 -0.00 0.00 0.02 0.00 0.00 35.03 33.66 2yuq n LYS 75 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2yuq n SER 76 N 5.63 -2.77 0.00 3.14 2.88 -1.26 -4.76 113.62 116.48 2yuq n SER 76 Ca 0.33 0.72 0.07 0.00 -1.33 0.00 0.00 58.87 58.66 2yuq n SER 76 Cb 0.05 -0.80 0.41 0.00 -0.75 0.00 0.00 64.21 63.12 2yuq n SER 76 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2yuq n PRO 77 N 1.25 0.33 -1.50 -1.46 -0.04 -1.26 -4.85 135.00 127.47 2yuq n PRO 77 Ca 0.10 0.08 -0.42 0.00 -0.04 0.00 0.00 63.50 63.22 2yuq n PRO 77 Cb 0.38 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.34 2yuq n PRO 77 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2yuq n ASN 78 N -1.17 -0.22 -4.81 3.54 2.85 -1.26 -4.93 115.26 109.26 2yuq n ASN 78 Ca 0.09 0.98 -0.37 0.00 -0.11 0.00 0.00 54.58 55.18 2yuq n ASN 78 Cb 0.09 -1.17 -0.06 0.00 1.24 0.00 0.00 39.78 39.88 2yuq n ASN 78 CO 0.00 0.00 0.00 0.20 -2.11 0.00 0.00 177.26 175.35 2yuq s ASN 79 N -0.87 7.10 0.00 1.20 -0.87 -1.26 -4.97 114.94 115.27 2yuq s ASN 79 Ca 0.63 1.45 0.00 0.00 -1.57 0.00 0.00 52.86 53.37 2yuq s ASN 79 Cb -0.63 -2.43 0.00 0.00 -0.02 0.00 0.00 41.25 38.17 2yuq s ASN 79 CO 0.58 0.05 0.83 0.00 -2.57 0.00 0.00 177.10 175.99 2yuq n LEU 80 N 0.82 1.40 -4.56 0.60 -0.00 -1.26 -4.99 117.00 109.01 2yuq n LEU 80 Ca -0.03 -1.40 -0.30 0.00 -0.00 0.00 0.00 56.01 54.29 2yuq n LEU 80 Cb 0.51 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.88 2yuq n LEU 80 CO 0.43 0.35 1.49 -0.70 -0.00 0.00 0.00 177.39 178.96 2yuq s GLU 81 N -0.67 2.42 0.44 1.47 2.56 -1.26 -4.94 118.70 118.72 2yuq s GLU 81 Ca 0.00 0.28 0.08 0.00 0.00 0.00 0.00 54.97 55.33 2yuq s GLU 81 Cb 0.00 -4.75 -0.00 0.00 2.00 0.00 0.00 34.13 31.38 2yuq s GLU 81 CO 0.00 -3.27 0.46 0.95 -0.56 0.00 0.00 175.26 172.84 2yuq s THR 82 N 10.49 2.63 -1.23 -1.70 -4.23 -1.26 -4.66 115.64 115.68 2yuq s THR 82 Ca 0.74 -1.25 -0.04 0.00 -1.18 0.00 0.00 61.69 59.97 2yuq s THR 82 Cb -0.10 -2.88 0.00 0.00 1.34 0.00 0.00 72.50 70.86 2yuq s THR 82 CO 0.10 0.00 1.05 -1.22 -0.54 0.00 0.00 174.62 174.01 2yuq n TYR 83 N -1.69 -2.42 -3.47 3.99 4.01 -1.26 -4.96 117.16 111.36 2yuq n TYR 83 Ca 0.05 0.94 -0.43 0.00 -0.16 0.00 0.00 57.90 58.30 2yuq n TYR 83 Cb 0.61 -4.94 -0.05 0.00 -0.31 0.00 0.00 39.34 34.65 2yuq n TYR 83 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 2yuq s GLU 84 N -5.75 3.26 0.00 -0.72 2.12 -1.26 -5.23 118.70 111.12 2yuq s GLU 84 Ca 0.26 -2.54 0.23 0.00 0.36 0.00 0.00 54.97 53.28 2yuq s GLU 84 Cb -0.11 -4.18 0.18 0.00 0.26 0.00 0.00 34.13 30.27 2yuq s GLU 84 CO 0.70 -1.25 1.23 0.91 -0.54 0.00 0.00 175.26 176.31