#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 -0.05 -0.16 1.61 0.01 -1.26 -5.17 113.70 108.69 2yuq s SER 2 Ca 0.00 -0.17 -0.12 0.00 1.31 0.00 0.00 55.95 56.97 2yuq s SER 2 Cb 0.00 0.27 0.05 0.00 0.21 0.00 0.00 66.02 66.55 2yuq s SER 2 CO 0.00 -0.47 0.41 -0.44 0.41 0.00 0.00 173.24 173.15 2yuq s SER 3 N -1.64 -0.46 -0.32 2.44 0.01 -1.26 -5.14 113.70 107.34 2yuq s SER 3 Ca -0.11 0.85 -0.16 0.00 1.31 0.00 0.00 55.95 57.85 2yuq s SER 3 Cb -0.04 0.81 -0.02 0.00 0.21 0.00 0.00 66.02 66.97 2yuq s SER 3 CO 0.00 -0.16 0.40 -0.83 0.41 0.00 0.00 173.24 173.06 2yuq s GLY 4 N 0.70 1.88 0.06 3.44 0.00 -1.26 -4.97 107.32 107.17 2yuq s GLY 4 Ca -0.04 -1.02 -0.23 0.00 0.00 0.00 0.00 44.72 43.43 2yuq s GLY 4 CO -0.05 1.04 1.56 1.48 0.00 0.00 0.00 173.10 177.13 2yuq h SER 5 N 8.35 0.09 -0.38 1.64 4.64 -2.01 -2.85 113.55 123.04 2yuq h SER 5 Ca -0.30 -0.21 -0.25 0.00 -0.47 0.00 0.00 61.79 60.56 2yuq h SER 5 Cb 1.15 -0.02 -0.10 0.00 -0.31 0.00 0.00 62.40 63.12 2yuq h SER 5 CO 0.69 0.27 0.09 -0.24 -0.87 0.00 0.00 176.83 176.78 2yuq n SER 6 N -4.93 5.87 0.00 4.97 2.88 -1.26 -4.73 113.62 116.43 2yuq n SER 6 Ca -0.06 -2.79 0.00 0.00 -1.33 0.00 0.00 58.87 54.69 2yuq n SER 6 Cb 0.13 -1.22 0.00 0.00 -0.75 0.00 0.00 64.21 62.38 2yuq n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yuq n GLY 7 N 1.33 1.71 0.21 0.46 0.00 -1.13 -4.96 105.19 102.81 2yuq n GLY 7 Ca 0.31 -0.94 -0.01 0.00 0.00 0.00 0.00 46.02 45.38 2yuq n GLY 7 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2yuq h GLU 8 N 0.00 0.19 -3.07 1.61 4.39 -1.80 -3.40 114.58 112.51 2yuq h GLU 8 Ca 0.00 -0.01 -0.08 0.00 0.34 0.00 0.00 59.36 59.61 2yuq h GLU 8 Cb 0.00 -0.04 -0.16 0.00 -0.10 0.00 0.00 28.75 28.44 2yuq h GLU 8 CO 0.00 0.13 -0.11 -0.51 -1.16 0.00 0.00 179.01 177.36 2yuq s ASP 9 N -5.28 -0.27 0.42 1.42 1.11 -1.26 -4.43 116.67 108.38 2yuq s ASP 9 Ca -0.13 -0.03 0.07 0.00 0.18 0.00 0.00 52.55 52.63 2yuq s ASP 9 Cb 0.17 0.42 -0.07 0.00 1.07 0.00 0.00 42.92 44.51 2yuq s ASP 9 CO 0.73 -0.67 0.02 0.20 1.18 0.00 0.00 175.17 176.63 2yuq s ASN 10 N -2.06 3.93 -0.08 0.27 -0.87 -1.26 -5.15 114.94 109.73 2yuq s ASN 10 Ca -0.05 -1.38 -0.01 0.00 -1.57 0.00 0.00 52.86 49.86 2yuq s ASN 10 Cb -0.01 -0.32 0.03 0.00 -0.02 0.00 0.00 41.25 40.93 2yuq s ASN 10 CO -0.03 -0.49 -0.02 -0.13 -2.57 0.00 0.00 177.10 173.85 2yuq s ARG 11 N -3.73 0.86 0.04 -0.60 0.52 -1.26 -5.14 118.95 109.63 2yuq s ARG 11 Ca 0.33 -0.01 0.03 0.00 -0.52 0.00 0.00 55.73 55.56 2yuq s ARG 11 Cb 0.09 -1.08 -0.02 0.00 0.52 0.00 0.00 34.95 34.45 2yuq s ARG 11 CO 0.17 -0.25 -0.10 1.03 0.02 0.00 0.00 175.30 176.17 2yuq s ARG 12 N 1.71 0.66 0.90 3.54 1.81 -1.26 -5.16 118.95 121.14 2yuq s ARG 12 Ca 0.02 -0.72 -0.15 0.00 -1.72 0.00 0.00 55.73 53.15 2yuq s ARG 12 Cb -0.13 -0.55 0.22 0.00 -0.45 0.00 0.00 34.95 34.04 2yuq s ARG 12 CO -0.05 0.12 0.80 -0.35 -0.68 0.00 0.00 175.30 175.14 2yuq n PRO 13 N 1.71 -2.57 -0.05 3.54 -0.04 -1.26 -5.04 135.00 131.29 2yuq n PRO 13 Ca -0.20 -1.27 -0.08 0.00 -0.04 0.00 0.00 63.50 61.90 2yuq n PRO 13 Cb 0.55 -1.19 -0.04 0.00 -0.04 0.00 0.00 33.50 32.78 2yuq n PRO 13 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 2yuq n LEU 14 N 0.00 1.91 0.00 1.53 -0.00 -1.26 -4.98 117.00 114.21 2yuq n LEU 14 Ca 0.11 0.03 0.00 0.00 -0.00 0.00 0.00 56.01 56.15 2yuq n LEU 14 Cb 0.43 -0.31 0.00 0.00 -0.00 0.00 0.00 43.42 43.54 2yuq n LEU 14 CO 0.30 0.44 0.00 0.79 -0.00 0.00 0.00 177.39 178.92 2yuq n TRP 15 N -3.09 0.00 -3.60 1.47 7.02 -1.26 -5.13 117.44 112.86 2yuq n TRP 15 Ca -0.18 0.00 -0.13 0.00 -1.02 0.00 0.00 57.50 56.17 2yuq n TRP 15 Cb 0.66 0.00 -0.06 0.00 -2.42 0.00 0.00 31.31 29.48 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 -0.84 0.76 -0.02 -0.99 2.02 -1.26 -5.07 118.70 113.29 2yuq s GLU 16 Ca 0.00 0.56 -0.26 0.00 0.02 0.00 0.00 54.97 55.29 2yuq s GLU 16 Cb 0.00 0.37 -0.20 0.00 0.10 0.00 0.00 34.13 34.39 2yuq s GLU 16 CO 0.00 -0.16 1.27 -1.00 0.02 0.00 0.00 175.26 175.38 2yuq h PRO 17 N 3.85 0.00 -1.41 0.39 0.13 -2.00 -3.17 132.00 129.80 2yuq h PRO 17 Ca -0.26 -0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.70 2yuq h PRO 17 Cb 1.16 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.21 2yuq h PRO 17 CO 0.20 0.49 0.22 -0.85 -0.23 0.00 0.00 178.00 177.82 2yuq n GLU 18 N -4.85 1.42 -3.90 0.86 0.28 -1.26 -4.81 120.64 108.37 2yuq n GLU 18 Ca -0.08 -0.88 -0.11 0.00 -0.16 0.00 0.00 57.16 55.93 2yuq n GLU 18 Cb 0.25 -1.34 -0.12 0.00 1.43 0.00 0.00 31.44 31.65 2yuq n GLU 18 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 2yuq s GLU 19 N -1.00 0.19 -0.50 3.44 0.41 -1.20 -5.12 118.70 114.92 2yuq s GLU 19 Ca 0.17 -0.24 -0.18 0.00 -0.41 0.00 0.00 54.97 54.31 2yuq s GLU 19 Cb 0.14 0.07 0.06 0.00 -1.78 0.00 0.00 34.13 32.62 2yuq s GLU 19 CO 0.01 -0.03 0.58 0.99 -0.49 0.00 0.00 175.26 176.32 2yuq s THR 20 N -0.67 4.95 -0.08 3.63 2.01 -1.26 -4.78 115.64 119.44 2yuq s THR 20 Ca -0.07 -0.63 -0.16 0.00 0.31 0.00 0.00 61.69 61.14 2yuq s THR 20 Cb -0.05 -4.27 -0.05 0.00 0.01 0.00 0.00 72.50 68.15 2yuq s THR 20 CO -0.00 -0.76 0.40 -0.69 -0.69 0.00 0.00 174.62 172.88 2yuq s VAL 21 N 2.41 5.15 0.14 3.82 1.01 -1.26 -0.82 120.40 130.85 2yuq s VAL 21 Ca 0.13 0.81 0.08 0.00 0.00 0.00 0.00 61.98 63.00 2yuq s VAL 21 Cb -0.20 -3.73 -0.04 0.00 0.00 0.00 0.00 36.38 32.41 2yuq s VAL 21 CO 0.11 0.45 -0.19 0.68 0.00 0.00 0.00 175.10 176.14 2yuq s VAL 22 N -0.12 1.72 -0.02 2.92 -7.23 -0.69 -3.31 120.40 113.68 2yuq s VAL 22 Ca 0.23 -1.75 0.07 0.00 -1.81 0.00 0.00 61.98 58.72 2yuq s VAL 22 Cb -0.15 -1.69 -0.02 0.00 0.56 0.00 0.00 36.38 35.07 2yuq s VAL 22 CO 0.10 -0.23 -0.22 -0.63 -0.31 0.00 0.00 175.10 173.81 2yuq s ILE 23 N -1.71 2.39 -0.12 -0.62 1.09 0.49 0.36 121.20 123.09 2yuq s ILE 23 Ca 0.11 -1.04 -0.21 0.00 -1.10 0.00 0.00 60.65 58.41 2yuq s ILE 23 Cb -0.07 -1.89 -0.03 0.00 -1.06 0.00 0.00 42.46 39.41 2yuq s ILE 23 CO 0.05 0.54 0.63 0.00 -0.10 0.00 0.00 174.94 176.06 2yuq s ALA 24 N -0.69 3.43 0.08 9.38 0.00 -1.18 0.60 121.76 133.39 2yuq s ALA 24 Ca 0.11 -0.06 -0.17 0.00 0.00 0.00 0.00 51.96 51.84 2yuq s ALA 24 Cb -0.10 -2.89 -0.09 0.00 0.00 0.00 0.00 23.12 20.04 2yuq s ALA 24 CO 0.00 -0.21 1.44 -0.07 0.00 0.00 0.00 175.76 176.92 2yuq h LEU 25 N 7.17 0.56 -9.39 0.00 3.38 -1.06 -3.05 115.31 112.93 2yuq h LEU 25 Ca -0.38 -0.42 -0.54 0.00 0.09 0.00 0.00 57.88 56.64 2yuq h LEU 25 Cb 1.18 -0.16 -0.14 0.00 0.09 0.00 0.00 40.66 41.64 2yuq h LEU 25 CO 0.76 0.85 -0.61 -0.31 0.09 0.00 0.00 178.44 179.22 2yuq s TYR 26 N -4.57 2.18 -0.69 1.13 1.51 -1.26 -4.63 117.35 111.02 2yuq s TYR 26 Ca -0.13 -0.82 -0.22 0.00 -1.01 0.00 0.00 57.07 54.88 2yuq s TYR 26 Cb 0.08 -1.46 0.07 0.00 -0.11 0.00 0.00 41.96 40.54 2yuq s TYR 26 CO 0.78 0.21 0.99 0.34 -1.11 0.00 0.00 175.55 176.76 2yuq s ASP 27 N -3.57 6.22 0.22 2.29 2.15 -1.26 -4.08 116.67 118.64 2yuq s ASP 27 Ca 0.35 -1.09 -0.30 0.00 0.43 0.00 0.00 52.55 51.95 2yuq s ASP 27 Cb 0.09 -2.42 -0.08 0.00 -0.30 0.00 0.00 42.92 40.20 2yuq s ASP 27 CO 0.16 -1.42 1.09 -0.47 -0.17 0.00 0.00 175.17 174.36 2yuq s TYR 28 N 3.98 3.62 -0.10 -5.34 5.04 -1.18 -4.92 117.35 118.46 2yuq s TYR 28 Ca 0.24 1.66 0.03 0.00 -2.44 0.00 0.00 57.07 56.56 2yuq s TYR 28 Cb -0.15 -3.25 -0.01 0.00 0.35 0.00 0.00 41.96 38.89 2yuq s TYR 28 CO 0.08 -0.50 -0.21 -0.65 -1.34 0.00 0.00 175.55 172.94 2yuq s GLN 29 N -0.83 3.01 -0.00 4.97 -0.21 -1.26 -2.24 119.66 123.10 2yuq s GLN 29 Ca 0.47 -0.82 -0.06 0.00 0.02 0.00 0.00 55.36 54.97 2yuq s GLN 29 Cb -0.30 -2.37 0.00 0.00 1.00 0.00 0.00 33.01 31.34 2yuq s GLN 29 CO 0.37 0.26 0.11 -0.08 -2.12 0.00 0.00 175.29 173.83 2yuq s THR 30 N 0.17 0.07 -0.22 -0.19 -1.32 -1.26 -4.97 115.64 107.92 2yuq s THR 30 Ca -0.12 -0.59 0.13 0.00 -1.21 0.00 0.00 61.69 59.90 2yuq s THR 30 Cb -0.16 -0.36 0.45 0.00 -1.51 0.00 0.00 72.50 70.91 2yuq s THR 30 CO 0.06 -0.33 1.19 0.59 -2.21 0.00 0.00 174.62 173.93 2yuq n ASN 31 N 1.77 2.78 -4.14 8.08 4.13 -1.26 -4.72 115.26 121.90 2yuq n ASN 31 Ca -0.21 -3.42 -0.21 0.00 1.68 0.00 0.00 54.58 52.42 2yuq n ASN 31 Cb 0.56 -0.43 -0.14 0.00 -1.54 0.00 0.00 39.78 38.24 2yuq n ASN 31 CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 2yuq s ASP 32 N -3.28 1.70 0.48 6.41 1.11 -1.26 -5.03 116.67 116.79 2yuq s ASP 32 Ca 0.41 -0.42 0.26 0.00 0.18 0.00 0.00 52.55 52.98 2yuq s ASP 32 Cb 0.38 -0.12 1.12 0.00 1.07 0.00 0.00 42.92 45.36 2yuq s ASP 32 CO -0.04 0.06 1.91 1.55 1.18 0.00 0.00 175.17 179.83 2yuq h PRO 33 N 5.09 0.00 -0.02 8.23 0.13 -2.02 -2.91 132.00 140.49 2yuq h PRO 33 Ca -0.38 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.57 2yuq h PRO 33 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 2yuq h PRO 33 CO 0.45 0.17 -0.78 1.96 -0.23 0.00 0.00 178.00 179.56 2yuq h GLN 34 N 0.00 0.22 -6.26 0.86 4.20 -1.97 -3.46 115.11 108.70 2yuq h GLN 34 Ca -0.00 -0.21 -0.52 0.00 0.06 0.00 0.00 58.65 57.98 2yuq h GLN 34 Cb 0.62 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.44 2yuq h GLN 34 CO 0.02 0.90 -0.24 -1.21 -0.67 0.00 0.00 178.83 177.63 2yuq s GLU 35 N -3.40 2.37 0.05 1.46 2.02 -1.10 -2.98 118.70 117.12 2yuq s GLU 35 Ca -0.03 -1.74 0.03 0.00 0.02 0.00 0.00 54.97 53.25 2yuq s GLU 35 Cb 0.11 -2.39 -0.03 0.00 0.10 0.00 0.00 34.13 31.92 2yuq s GLU 35 CO 0.82 -0.60 -0.10 -1.17 0.02 0.00 0.00 175.26 174.23 2yuq s LEU 36 N -4.39 2.26 -0.38 1.80 2.96 -1.24 -4.66 118.68 115.03 2yuq s LEU 36 Ca 0.48 -0.57 -0.16 0.00 -0.22 0.00 0.00 54.13 53.66 2yuq s LEU 36 Cb -0.04 -0.30 0.00 0.00 0.50 0.00 0.00 46.19 46.35 2yuq s LEU 36 CO 0.30 -0.15 0.41 0.00 -1.32 0.00 0.00 176.35 175.58 2yuq s ALA 37 N -1.32 3.46 0.91 5.97 0.00 -1.26 -4.67 121.76 124.85 2yuq s ALA 37 Ca -0.07 -1.34 -0.14 0.00 0.00 0.00 0.00 51.96 50.41 2yuq s ALA 37 Cb -0.10 -2.94 0.17 0.00 0.00 0.00 0.00 23.12 20.25 2yuq s ALA 37 CO 0.01 -1.32 1.27 -0.51 0.00 0.00 0.00 175.76 175.21 2yuq s LEU 38 N 2.09 2.68 0.04 0.00 1.43 -0.95 -4.92 118.68 119.05 2yuq s LEU 38 Ca 0.12 0.37 0.02 0.00 -1.03 0.00 0.00 54.13 53.61 2yuq s LEU 38 Cb -0.17 -2.54 -0.02 0.00 0.03 0.00 0.00 46.19 43.49 2yuq s LEU 38 CO 0.13 -2.48 -0.08 -0.60 0.23 0.00 0.00 176.35 173.54 2yuq s ARG 39 N -5.77 0.55 0.13 1.70 3.52 -1.26 -3.13 118.95 114.68 2yuq s ARG 39 Ca 0.71 -0.77 -0.31 0.00 -0.13 0.00 0.00 55.73 55.23 2yuq s ARG 39 Cb -0.06 -0.35 -0.08 0.00 -1.56 0.00 0.00 34.95 32.91 2yuq s ARG 39 CO 0.52 0.06 1.33 0.50 -0.81 0.00 0.00 175.30 176.90 2yuq s ARG 40 N -1.57 4.36 -1.11 5.12 3.52 -1.26 -2.86 118.95 125.15 2yuq s ARG 40 Ca -0.09 2.02 -0.05 0.00 -0.13 0.00 0.00 55.73 57.47 2yuq s ARG 40 Cb -0.10 -3.25 0.01 0.00 -1.56 0.00 0.00 34.95 30.05 2yuq s ARG 40 CO 0.01 -0.35 0.71 0.09 -0.81 0.00 0.00 175.30 174.94 2yuq n ASN 41 N 3.59 -5.24 -3.94 -2.12 4.13 -1.15 -4.98 115.26 105.54 2yuq n ASN 41 Ca 0.10 -0.33 -0.28 0.00 1.68 0.00 0.00 54.58 55.75 2yuq n ASN 41 Cb 0.43 -3.95 -0.17 0.00 -1.54 0.00 0.00 39.78 34.55 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 -5.75 1.78 0.55 3.52 0.41 -1.14 -4.70 118.70 113.38 2yuq s GLU 42 Ca 0.35 -0.35 -0.17 0.00 -0.41 0.00 0.00 54.97 54.39 2yuq s GLU 42 Cb -0.16 -1.76 -0.06 0.00 -1.78 0.00 0.00 34.13 30.38 2yuq s GLU 42 CO 0.44 -0.26 1.03 -1.21 -0.49 0.00 0.00 175.26 174.77 2yuq s GLU 43 N 1.64 3.58 -0.04 1.61 8.01 -1.26 -3.09 118.70 129.15 2yuq s GLU 43 Ca 0.05 1.15 -0.01 0.00 0.01 0.00 0.00 54.97 56.16 2yuq s GLU 43 Cb -0.13 -2.07 0.03 0.00 -4.31 0.00 0.00 34.13 27.65 2yuq s GLU 43 CO -0.09 -0.59 0.08 0.71 0.01 0.00 0.00 175.26 175.38 2yuq s TYR 44 N -2.45 -0.06 -0.40 1.61 1.51 0.16 -4.47 117.35 113.25 2yuq s TYR 44 Ca 0.63 0.29 -0.29 0.00 -1.01 0.00 0.00 57.07 56.69 2yuq s TYR 44 Cb -0.14 -0.16 -0.00 0.00 -0.11 0.00 0.00 41.96 41.54 2yuq s TYR 44 CO 0.33 -0.12 1.55 0.00 -1.11 0.00 0.00 175.55 176.20 2yuq s LEU 46 N 6.07 4.31 -0.13 0.00 0.20 0.00 -1.07 118.68 128.06 2yuq s LEU 46 Ca 0.67 2.20 -0.07 0.00 0.69 0.00 0.00 54.13 57.62 2yuq s LEU 46 Cb -0.16 -3.54 -0.04 0.00 -0.43 0.00 0.00 46.19 42.02 2yuq s LEU 46 CO 0.32 -0.90 -0.05 -0.07 -0.29 0.00 0.00 176.35 175.36 2yuq h LEU 47 N 10.08 0.00 -7.61 -0.68 3.38 -0.49 -3.40 115.31 116.59 2yuq h LEU 47 Ca -0.38 -0.07 -0.17 0.00 0.09 0.00 0.00 57.88 57.35 2yuq h LEU 47 Cb 1.17 0.00 -0.24 0.00 0.09 0.00 0.00 40.66 41.68 2yuq h LEU 47 CO 0.95 0.71 -0.49 -1.81 0.09 0.00 0.00 178.44 177.88 2yuq s ASP 48 N -5.74 -0.12 -0.40 -0.43 1.01 -0.86 -5.04 116.67 105.08 2yuq s ASP 48 Ca -0.10 0.18 0.05 0.00 0.71 0.00 0.00 52.55 53.39 2yuq s ASP 48 Cb 0.01 0.32 0.46 0.00 1.01 0.00 0.00 42.92 44.72 2yuq s ASP 48 CO 0.17 -0.17 1.46 -1.54 0.21 0.00 0.00 175.17 175.30 2yuq n SER 49 N 2.45 5.41 -0.22 0.27 3.41 -1.26 -1.41 113.62 122.27 2yuq n SER 49 Ca -0.16 -3.77 -0.09 0.00 -0.26 0.00 0.00 58.87 54.59 2yuq n SER 49 Cb 0.58 -0.56 -0.05 0.00 -0.26 0.00 0.00 64.21 63.92 2yuq n SER 49 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 2yuq h SER 50 N 1.98 -1.63 -4.65 4.04 0.87 -1.97 -3.42 113.55 108.78 2yuq h SER 50 Ca 0.42 0.25 -0.33 0.00 -1.23 0.00 0.00 61.79 60.90 2yuq h SER 50 Cb 1.34 0.72 0.07 0.00 -0.44 0.00 0.00 62.40 64.10 2yuq h SER 50 CO 0.95 -0.34 0.12 -0.62 -0.53 0.00 0.00 176.83 176.41 2yuq n GLU 51 N -5.39 -0.07 -0.02 2.24 -0.58 -1.25 -5.08 120.64 110.48 2yuq n GLU 51 Ca 0.01 -1.88 -0.04 0.00 -0.42 0.00 0.00 57.16 54.83 2yuq n GLU 51 Cb 0.34 -0.56 -0.01 0.00 -0.57 0.00 0.00 31.44 30.64 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 -2.58 1.06 -0.36 -3.67 5.41 -1.26 -4.70 119.36 113.24 2yuq n ILE 52 Ca 0.12 0.26 -0.02 0.00 1.00 0.00 0.00 62.75 64.11 2yuq n ILE 52 Cb 0.42 -1.86 0.12 0.00 -0.71 0.00 0.00 39.64 37.62 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 -0.45 1.24 -3.33 1.39 3.86 -1.98 -3.40 115.15 112.48 2yuq h HIS 53 Ca 0.00 0.03 -0.66 0.00 -1.16 0.00 0.00 60.37 58.58 2yuq h HIS 53 Cb 0.45 -0.42 -0.27 0.00 1.06 0.00 0.00 27.41 28.23 2yuq h HIS 53 CO -0.19 0.78 -0.74 -1.58 0.86 0.00 0.00 177.93 177.06 2yuq s TRP 54 N -6.09 2.89 0.14 2.45 0.52 -1.26 -0.89 118.94 116.70 2yuq s TRP 54 Ca -0.13 -0.77 0.11 0.00 0.02 0.00 0.00 56.10 55.33 2yuq s TRP 54 Cb 0.18 -1.96 -0.04 0.00 -1.15 0.00 0.00 33.47 30.50 2yuq s TRP 54 CO 0.82 -0.35 -0.24 -1.58 0.02 0.00 0.00 176.95 175.61 2yuq s TRP 55 N 0.84 2.36 -0.43 -1.98 0.52 -0.81 -3.95 118.94 115.49 2yuq s TRP 55 Ca -0.03 -0.35 -0.17 0.00 0.02 0.00 0.00 56.10 55.57 2yuq s TRP 55 Cb -0.15 -1.25 0.02 0.00 -1.15 0.00 0.00 33.47 30.95 2yuq s TRP 55 CO 0.01 0.38 0.45 0.50 0.02 0.00 0.00 176.95 178.31 2yuq s ARG 56 N -2.21 3.10 0.40 4.98 3.52 -0.50 -2.66 118.95 125.58 2yuq s ARG 56 Ca 0.16 -0.77 0.04 0.00 -0.13 0.00 0.00 55.73 55.03 2yuq s ARG 56 Cb -0.10 -3.98 -0.04 0.00 -1.56 0.00 0.00 34.95 29.28 2yuq s ARG 56 CO 0.08 -0.88 0.07 0.14 -0.81 0.00 0.00 175.30 173.90 2yuq s VAL 57 N 2.16 1.02 -0.02 7.11 -7.23 -1.22 0.28 120.40 122.50 2yuq s VAL 57 Ca 0.12 -2.00 -0.00 0.00 -1.81 0.00 0.00 61.98 58.29 2yuq s VAL 57 Cb -0.17 -2.51 0.03 0.00 0.56 0.00 0.00 36.38 34.29 2yuq s VAL 57 CO 0.14 0.00 0.04 -1.58 -0.31 0.00 0.00 175.10 173.38 2yuq s GLN 58 N -3.80 -0.04 0.90 4.82 0.74 -0.24 -2.93 119.66 119.11 2yuq s GLN 58 Ca 0.25 0.21 -0.11 0.00 0.05 0.00 0.00 55.36 55.76 2yuq s GLN 58 Cb 0.05 -0.28 0.13 0.00 1.10 0.00 0.00 33.01 34.01 2yuq s GLN 58 CO 0.13 -0.19 1.09 0.34 -0.55 0.00 0.00 175.29 176.11 2yuq s ASP 59 N 1.20 3.43 0.00 6.67 2.15 0.57 -1.49 116.67 129.20 2yuq s ASP 59 Ca -0.08 1.54 0.11 0.00 0.43 0.00 0.00 52.55 54.56 2yuq s ASP 59 Cb -0.13 -2.21 0.50 0.00 -0.30 0.00 0.00 42.92 40.78 2yuq s ASP 59 CO -0.03 -2.67 1.33 -2.11 -0.17 0.00 0.00 175.17 171.52 2yuq n ARG 60 N -3.91 0.04 -0.09 4.34 1.85 -1.26 -2.74 116.66 114.89 2yuq n ARG 60 Ca 0.07 0.27 -0.23 0.00 -1.00 0.00 0.00 57.85 56.96 2yuq n ARG 60 Cb 0.55 -1.50 -0.12 0.00 -1.05 0.00 0.00 32.46 30.34 2yuq n ARG 60 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 2yuq n ASN 61 N -1.44 1.96 0.00 2.89 4.13 -1.26 -5.01 115.26 116.52 2yuq n ASN 61 Ca 0.03 0.29 0.00 0.00 1.68 0.00 0.00 54.58 56.59 2yuq n ASN 61 Cb 0.12 -0.85 0.00 0.00 -1.54 0.00 0.00 39.78 37.51 2yuq n ASN 61 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2yuq n GLY 62 N 1.61 0.00 3.13 7.41 0.00 -1.11 -5.15 105.19 111.08 2yuq n GLY 62 Ca -0.39 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.30 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 2.70 0.21 1.61 3.76 -1.26 -4.90 115.29 117.41 2yuq s HIS 63 Ca 0.00 -1.52 0.08 0.00 -0.15 0.00 0.00 55.06 53.48 2yuq s HIS 63 Cb 0.00 -1.86 -0.05 0.00 1.11 0.00 0.00 32.58 31.78 2yuq s HIS 63 CO 0.00 -0.73 -0.16 -1.83 -0.85 0.00 0.00 174.74 171.17 2yuq s GLU 64 N 1.13 1.38 0.00 1.40 4.04 -1.26 -0.31 118.70 125.08 2yuq s GLU 64 Ca 0.01 -1.60 0.00 0.00 0.04 0.00 0.00 54.97 53.42 2yuq s GLU 64 Cb -0.14 -1.24 0.00 0.00 0.02 0.00 0.00 34.13 32.77 2yuq s GLU 64 CO -0.09 0.21 0.00 0.41 -1.84 0.00 0.00 175.26 173.95 2yuq n GLY 65 N -0.36 -0.84 3.49 -3.83 0.00 -1.15 -4.77 105.19 97.73 2yuq n GLY 65 Ca -0.08 -0.79 -0.43 0.00 0.00 0.00 0.00 46.02 44.73 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 -3.00 3.19 0.17 1.61 2.02 -1.16 -3.45 117.35 116.73 2yuq s TYR 66 Ca 0.00 -0.37 0.11 0.00 -0.37 0.00 0.00 57.07 56.44 2yuq s TYR 66 Cb 0.00 -2.82 -0.04 0.00 -0.40 0.00 0.00 41.96 38.70 2yuq s TYR 66 CO 0.00 -0.65 -0.21 0.14 -1.57 0.00 0.00 175.55 173.26 2yuq s VAL 67 N 2.05 2.56 -0.41 0.71 -7.23 -1.09 -3.67 120.40 113.32 2yuq s VAL 67 Ca 0.11 -1.86 -0.28 0.00 -1.81 0.00 0.00 61.98 58.14 2yuq s VAL 67 Cb -0.17 -2.22 -0.01 0.00 0.56 0.00 0.00 36.38 34.54 2yuq s VAL 67 CO 0.13 -0.06 1.73 -2.16 -0.31 0.00 0.00 175.10 174.43 2yuq s PRO 68 N -2.55 3.23 0.45 4.82 0.04 -1.26 -1.92 135.00 137.81 2yuq s PRO 68 Ca 0.20 1.15 0.31 0.00 0.04 0.00 0.00 61.00 62.70 2yuq s PRO 68 Cb -0.09 -4.21 1.42 0.00 0.04 0.00 0.00 34.50 31.67 2yuq s PRO 68 CO 0.10 -1.99 1.65 0.66 0.04 0.00 0.00 177.00 177.46 2yuq h SER 69 N 12.90 0.23 -0.95 6.66 4.64 -1.23 0.33 113.55 136.13 2yuq h SER 69 Ca -0.31 0.11 0.28 0.00 -0.47 0.00 0.00 61.79 61.41 2yuq h SER 69 Cb 1.15 0.09 -0.15 0.00 -0.31 0.00 0.00 62.40 63.19 2yuq h SER 69 CO 1.08 -0.12 0.41 0.28 -0.87 0.00 0.00 176.83 177.62 2yuq h SER 70 N 0.11 0.27 -0.08 4.97 0.02 -1.89 0.19 113.55 117.14 2yuq h SER 70 Ca 0.79 0.20 -0.17 0.00 -0.84 0.00 0.00 61.79 61.76 2yuq h SER 70 Cb 2.53 0.20 0.01 0.00 0.14 0.00 0.00 62.40 65.29 2yuq h SER 70 CO -0.34 -0.15 -0.61 1.88 -1.14 0.00 0.00 176.83 176.47 2yuq h TYR 71 N 0.27 0.76 -3.95 3.45 -1.99 -0.72 -3.45 116.97 111.35 2yuq h TYR 71 Ca 0.65 -0.36 -0.52 0.00 2.00 0.00 0.00 58.73 60.51 2yuq h TYR 71 Cb 1.42 -0.11 0.07 0.00 2.00 0.00 0.00 36.73 40.11 2yuq h TYR 71 CO -0.13 1.16 0.55 -0.51 -0.00 0.00 0.00 178.16 179.23 2yuq s LEU 72 N -8.47 4.19 0.00 3.88 1.43 0.65 -0.43 118.68 119.94 2yuq s LEU 72 Ca -0.12 2.49 0.00 0.00 -1.03 0.00 0.00 54.13 55.47 2yuq s LEU 72 Cb 0.06 -3.98 -0.00 0.00 0.03 0.00 0.00 46.19 42.30 2yuq s LEU 72 CO 0.84 -0.78 -0.01 0.68 0.23 0.00 0.00 176.35 177.31 2yuq s VAL 73 N -1.34 0.08 -0.40 -1.59 -7.23 0.20 -4.86 120.40 105.25 2yuq s VAL 73 Ca 0.57 -0.08 -0.29 0.00 -1.81 0.00 0.00 61.98 60.38 2yuq s VAL 73 Cb -0.34 -0.08 0.01 0.00 0.56 0.00 0.00 36.38 36.53 2yuq s VAL 73 CO 0.43 -0.00 1.43 -0.70 -0.31 0.00 0.00 175.10 175.95 2yuq s GLU 74 N -0.09 3.59 -0.21 4.82 2.12 -1.26 -0.38 118.70 127.29 2yuq s GLU 74 Ca -0.00 1.00 -0.28 0.00 0.36 0.00 0.00 54.97 56.05 2yuq s GLU 74 Cb -0.01 -4.03 -0.05 0.00 0.26 0.00 0.00 34.13 30.31 2yuq s GLU 74 CO -0.00 -1.55 2.20 0.21 -0.54 0.00 0.00 175.26 175.58 2yuq s LYS 75 N 4.92 3.17 0.19 4.30 2.20 -1.21 -4.95 119.74 128.36 2yuq s LYS 75 Ca 0.62 2.04 -0.17 0.00 -0.36 0.00 0.00 55.97 58.10 2yuq s LYS 75 Cb -0.15 -4.36 -0.08 0.00 -1.51 0.00 0.00 37.83 31.74 2yuq s LYS 75 CO 0.32 -2.06 0.64 -1.54 -0.36 0.00 0.00 175.35 172.36 2yuq s SER 76 N 8.09 6.94 0.00 1.43 1.04 -1.26 -4.95 113.70 124.99 2yuq s SER 76 Ca 1.00 1.26 0.12 0.00 0.48 0.00 0.00 55.95 58.80 2yuq s SER 76 Cb -0.33 -2.36 0.74 0.00 0.10 0.00 0.00 66.02 64.17 2yuq s SER 76 CO 0.35 0.06 1.17 -0.81 0.98 0.00 0.00 173.24 174.99 2yuq n PRO 77 N 0.73 0.49 -1.23 4.02 -0.04 -1.26 -4.11 135.00 133.60 2yuq n PRO 77 Ca -0.04 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.12 2yuq n PRO 77 Cb 0.51 -1.39 -0.10 0.00 -0.04 0.00 0.00 33.50 32.48 2yuq n PRO 77 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2yuq n ASN 78 N -0.89 1.65 -3.84 3.54 5.03 -1.26 -4.11 115.26 115.39 2yuq n ASN 78 Ca 0.09 -2.55 -0.27 0.00 0.87 0.00 0.00 54.58 52.72 2yuq n ASN 78 Cb 0.04 -1.24 -0.07 0.00 -1.02 0.00 0.00 39.78 37.50 2yuq n ASN 78 CO 0.00 0.00 0.00 -0.46 -1.83 0.00 0.00 177.26 174.97 2yuq n ASN 79 N 13.75 -0.14 -4.57 6.41 0.23 -1.26 -4.71 115.26 124.97 2yuq n ASN 79 Ca 0.45 -0.95 -0.39 0.00 -0.53 0.00 0.00 54.58 53.15 2yuq n ASN 79 Cb 0.44 -1.20 -0.03 0.00 -2.08 0.00 0.00 39.78 36.92 2yuq n ASN 79 CO 0.00 0.00 0.00 -0.22 -0.93 0.00 0.00 177.26 176.11 2yuq s LEU 80 N -6.05 3.40 -0.52 -4.53 1.98 -1.26 -4.91 118.68 106.80 2yuq s LEU 80 Ca 0.26 1.11 0.03 0.00 -2.89 0.00 0.00 54.13 52.63 2yuq s LEU 80 Cb -0.15 -2.90 0.13 0.00 0.66 0.00 0.00 46.19 43.93 2yuq s LEU 80 CO 0.76 -2.36 0.27 -1.61 -1.89 0.00 0.00 176.35 171.51 2yuq s GLU 81 N 7.11 2.03 0.42 1.98 0.41 -1.26 -5.08 118.70 124.31 2yuq s GLU 81 Ca 0.88 -2.50 0.07 0.00 -0.41 0.00 0.00 54.97 53.01 2yuq s GLU 81 Cb -0.20 -3.39 -0.06 0.00 -1.78 0.00 0.00 34.13 28.70 2yuq s GLU 81 CO 0.28 -1.10 0.12 -0.08 -0.49 0.00 0.00 175.26 173.99 2yuq s THR 82 N -0.07 2.12 -0.37 3.63 -1.32 -1.26 -5.07 115.64 113.30 2yuq s THR 82 Ca 0.16 -1.81 -0.28 0.00 -1.21 0.00 0.00 61.69 58.54 2yuq s THR 82 Cb -0.24 -2.93 -0.01 0.00 -1.51 0.00 0.00 72.50 67.81 2yuq s THR 82 CO -0.02 0.00 1.66 -0.31 -2.21 0.00 0.00 174.62 173.75 2yuq s TYR 83 N -2.66 2.01 -1.09 9.09 2.02 -1.26 -4.92 117.35 120.54 2yuq s TYR 83 Ca 0.37 0.64 -0.21 0.00 -0.37 0.00 0.00 57.07 57.50 2yuq s TYR 83 Cb 0.06 -4.20 0.07 0.00 -0.40 0.00 0.00 41.96 37.49 2yuq s TYR 83 CO 0.20 -2.60 1.49 -1.21 -1.57 0.00 0.00 175.55 171.86 2yuq s GLU 84 N 5.44 3.71 0.00 -0.62 2.02 -1.26 -4.99 118.70 123.00 2yuq s GLU 84 Ca 0.73 -1.45 0.29 0.00 0.02 0.00 0.00 54.97 54.56 2yuq s GLU 84 Cb -0.19 -5.35 1.30 0.00 0.10 0.00 0.00 34.13 29.98 2yuq s GLU 84 CO 0.33 -2.17 1.88 0.91 0.02 0.00 0.00 175.26 176.24