#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 -4.56 1.61 7.64 -1.26 -4.73 113.62 114.25 2yuq n SER 2 Ca 0.00 0.37 -0.39 0.00 1.01 0.00 0.00 58.87 59.85 2yuq n SER 2 Cb 0.00 -0.93 -0.03 0.00 -1.01 0.00 0.00 64.21 62.24 2yuq n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2yuq s SER 3 N -6.94 6.15 0.00 6.43 0.15 -1.26 -4.84 113.70 113.39 2yuq s SER 3 Ca -0.29 -0.86 0.00 0.00 0.70 0.00 0.00 55.95 55.51 2yuq s SER 3 Cb 0.07 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.82 2yuq s SER 3 CO 0.61 -1.82 0.00 0.61 1.20 0.00 0.00 173.24 173.84 2yuq n GLY 4 N 6.22 -0.80 3.24 9.45 0.00 -1.26 -5.11 105.19 116.92 2yuq n GLY 4 Ca 0.21 -0.72 -0.38 0.00 0.00 0.00 0.00 46.02 45.13 2yuq n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2yuq s SER 5 N -4.00 5.42 -0.02 1.61 0.15 -1.26 -4.97 113.70 110.63 2yuq s SER 5 Ca 0.00 -1.48 -0.24 0.00 0.70 0.00 0.00 55.95 54.92 2yuq s SER 5 Cb 0.00 -1.90 -0.18 0.00 -1.71 0.00 0.00 66.02 62.23 2yuq s SER 5 CO 0.00 -0.46 1.16 -1.28 1.20 0.00 0.00 173.24 173.86 2yuq h SER 6 N 8.26 -0.15 0.00 5.45 0.87 -1.96 -3.49 113.55 122.52 2yuq h SER 6 Ca -0.21 -0.35 0.00 0.00 -1.23 0.00 0.00 61.79 60.00 2yuq h SER 6 Cb 1.07 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.07 2yuq h SER 6 CO 0.69 0.30 0.00 0.61 -0.53 0.00 0.00 176.83 177.90 2yuq n GLY 7 N 0.13 -0.61 3.66 5.77 0.00 -1.26 -5.01 105.19 107.88 2yuq n GLY 7 Ca -0.09 0.24 -0.24 0.00 0.00 0.00 0.00 46.02 45.93 2yuq n GLY 7 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2yuq n GLU 8 N 0.00 -6.69 -3.05 1.61 4.07 -1.26 -4.99 120.64 110.33 2yuq n GLU 8 Ca 0.00 0.75 -0.20 0.00 -0.06 0.00 0.00 57.16 57.65 2yuq n GLU 8 Cb 0.00 -5.69 0.01 0.00 -0.06 0.00 0.00 31.44 25.70 2yuq n GLU 8 CO 0.00 0.00 0.00 0.16 -0.06 0.00 0.00 177.13 177.23 2yuq s ASP 9 N -3.67 5.69 0.15 4.31 1.47 -1.26 -5.12 116.67 118.24 2yuq s ASP 9 Ca 0.41 -0.12 0.04 0.00 1.18 0.00 0.00 52.55 54.07 2yuq s ASP 9 Cb -0.19 -1.04 -0.04 0.00 -0.34 0.00 0.00 42.92 41.31 2yuq s ASP 9 CO 0.77 -0.75 0.15 0.20 0.68 0.00 0.00 175.17 176.22 2yuq s ASN 10 N -4.29 5.67 -0.27 2.11 0.01 -1.26 -5.04 114.94 111.87 2yuq s ASN 10 Ca 0.51 -0.06 0.09 0.00 -0.71 0.00 0.00 52.86 52.69 2yuq s ASN 10 Cb -0.10 -1.54 0.45 0.00 0.41 0.00 0.00 41.25 40.48 2yuq s ASN 10 CO 0.35 0.08 1.19 -2.11 -1.51 0.00 0.00 177.10 175.10 2yuq n ARG 11 N -0.26 3.13 -2.01 -0.60 1.85 -1.26 -4.70 116.66 112.80 2yuq n ARG 11 Ca -0.08 -3.96 -0.41 0.00 -1.00 0.00 0.00 57.85 52.40 2yuq n ARG 11 Cb 0.54 -2.11 -0.01 0.00 -1.05 0.00 0.00 32.46 29.83 2yuq n ARG 11 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 177.63 178.12 2yuq s ARG 12 N -3.51 4.27 0.55 2.89 3.52 -1.26 -4.88 118.95 120.54 2yuq s ARG 12 Ca 0.47 2.33 -0.19 0.00 -0.13 0.00 0.00 55.73 58.22 2yuq s ARG 12 Cb 0.40 -3.04 -0.05 0.00 -1.56 0.00 0.00 34.95 30.70 2yuq s ARG 12 CO 0.01 -0.31 1.13 -1.25 -0.81 0.00 0.00 175.30 174.08 2yuq s PRO 13 N -1.82 3.31 -0.00 5.12 0.04 -1.26 -4.98 135.00 135.40 2yuq s PRO 13 Ca 0.51 1.59 -0.25 0.00 0.04 0.00 0.00 61.00 62.88 2yuq s PRO 13 Cb -0.42 -2.00 -0.19 0.00 0.04 0.00 0.00 34.50 31.93 2yuq s PRO 13 CO 0.56 -0.88 1.31 -0.07 0.04 0.00 0.00 177.00 177.95 2yuq h LEU 14 N 1.09 -0.08 0.00 -3.56 3.38 -2.00 -3.45 115.31 110.69 2yuq h LEU 14 Ca -0.50 -0.35 -0.26 0.00 0.09 0.00 0.00 57.88 56.86 2yuq h LEU 14 Cb 1.26 0.02 0.09 0.00 0.09 0.00 0.00 40.66 42.12 2yuq h LEU 14 CO 0.57 0.32 0.19 0.79 0.09 0.00 0.00 178.44 180.40 2yuq n TRP 15 N -4.94 -3.72 -4.42 1.13 7.02 -1.26 -5.09 117.44 106.15 2yuq n TRP 15 Ca -0.08 -0.79 -0.32 0.00 -1.02 0.00 0.00 57.50 55.28 2yuq n TRP 15 Cb 0.22 -0.54 -0.10 0.00 -2.42 0.00 0.00 31.31 28.47 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 -4.47 2.62 0.00 -0.99 2.02 -1.26 -4.99 118.70 111.63 2yuq s GLU 16 Ca 0.42 -0.69 0.16 0.00 0.02 0.00 0.00 54.97 54.88 2yuq s GLU 16 Cb -0.01 -2.55 0.93 0.00 0.10 0.00 0.00 34.13 32.60 2yuq s GLU 16 CO 0.29 0.61 1.35 -0.35 0.02 0.00 0.00 175.26 177.18 2yuq n PRO 17 N 1.54 0.48 -0.00 0.39 -0.04 -1.26 -2.60 135.00 133.51 2yuq n PRO 17 Ca -0.15 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.12 2yuq n PRO 17 Cb 0.53 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.35 2yuq n PRO 17 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2yuq n GLU 18 N -1.00 0.74 -3.23 0.54 2.13 -1.26 -4.89 120.64 113.65 2yuq n GLU 18 Ca 0.12 0.26 -0.39 0.00 0.66 0.00 0.00 57.16 57.81 2yuq n GLU 18 Cb 0.05 -1.72 -0.06 0.00 0.27 0.00 0.00 31.44 29.99 2yuq n GLU 18 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 2yuq s GLU 19 N -2.56 4.25 -0.48 5.31 0.41 -1.07 -5.00 118.70 119.56 2yuq s GLU 19 Ca -0.20 0.79 -0.27 0.00 -0.41 0.00 0.00 54.97 54.88 2yuq s GLU 19 Cb 0.07 -3.25 -0.03 0.00 -1.78 0.00 0.00 34.13 29.14 2yuq s GLU 19 CO 0.78 0.61 1.91 0.99 -0.49 0.00 0.00 175.26 179.06 2yuq s THR 20 N -1.04 3.35 -0.26 3.63 2.01 -1.26 -4.80 115.64 117.27 2yuq s THR 20 Ca 0.30 0.28 -0.13 0.00 0.31 0.00 0.00 61.69 62.46 2yuq s THR 20 Cb -0.20 -3.70 -0.05 0.00 0.01 0.00 0.00 72.50 68.57 2yuq s THR 20 CO 0.20 -0.59 0.26 -0.69 -0.69 0.00 0.00 174.62 173.11 2yuq s VAL 21 N 8.60 5.27 0.07 3.82 1.01 -1.26 -0.68 120.40 137.23 2yuq s VAL 21 Ca 0.76 0.35 0.08 0.00 0.00 0.00 0.00 61.98 63.17 2yuq s VAL 21 Cb -0.17 -3.59 -0.03 0.00 0.00 0.00 0.00 36.38 32.58 2yuq s VAL 21 CO 0.27 0.24 -0.19 0.68 0.00 0.00 0.00 175.10 176.10 2yuq s VAL 22 N 1.65 2.72 0.13 2.92 -7.23 0.42 -2.91 120.40 118.09 2yuq s VAL 22 Ca 0.11 -1.34 0.06 0.00 -1.81 0.00 0.00 61.98 59.00 2yuq s VAL 22 Cb -0.15 -2.18 -0.04 0.00 0.56 0.00 0.00 36.38 34.57 2yuq s VAL 22 CO 0.09 0.25 -0.00 -0.63 -0.31 0.00 0.00 175.10 174.49 2yuq s ILE 23 N -0.99 3.87 -0.29 -0.62 1.09 0.07 0.18 121.20 124.51 2yuq s ILE 23 Ca 0.15 -1.18 -0.13 0.00 -1.10 0.00 0.00 60.65 58.40 2yuq s ILE 23 Cb -0.10 -2.88 -0.04 0.00 -1.06 0.00 0.00 42.46 38.37 2yuq s ILE 23 CO 0.07 0.03 0.25 0.00 -0.10 0.00 0.00 174.94 175.19 2yuq s ALA 24 N -1.47 3.53 0.31 9.38 0.00 -1.00 0.13 121.76 132.64 2yuq s ALA 24 Ca 0.26 -1.09 0.03 0.00 0.00 0.00 0.00 51.96 51.16 2yuq s ALA 24 Cb -0.11 -2.59 0.52 0.00 0.00 0.00 0.00 23.12 20.94 2yuq s ALA 24 CO 0.18 -0.69 1.84 -0.07 0.00 0.00 0.00 175.76 177.02 2yuq h LEU 25 N 8.48 0.57 -8.83 0.00 3.38 -1.33 -2.42 115.31 115.15 2yuq h LEU 25 Ca -0.33 -0.12 -0.36 0.00 0.09 0.00 0.00 57.88 57.16 2yuq h LEU 25 Cb 1.17 -0.15 -0.14 0.00 0.09 0.00 0.00 40.66 41.63 2yuq h LEU 25 CO 0.60 0.64 -0.66 -0.31 0.09 0.00 0.00 178.44 178.79 2yuq s TYR 26 N -4.97 1.48 -0.71 1.13 2.02 -1.26 -4.64 117.35 110.40 2yuq s TYR 26 Ca -0.08 -0.92 -0.22 0.00 -0.37 0.00 0.00 57.07 55.47 2yuq s TYR 26 Cb 0.15 -0.85 0.07 0.00 -0.40 0.00 0.00 41.96 40.94 2yuq s TYR 26 CO 0.78 -0.06 1.03 0.34 -1.57 0.00 0.00 175.55 176.07 2yuq s ASP 27 N -3.27 6.24 0.28 2.29 2.15 -1.26 -4.21 116.67 118.89 2yuq s ASP 27 Ca 0.27 -1.09 -0.29 0.00 0.43 0.00 0.00 52.55 51.86 2yuq s ASP 27 Cb 0.05 -2.43 -0.10 0.00 -0.30 0.00 0.00 42.92 40.14 2yuq s ASP 27 CO 0.07 -1.43 1.26 -0.47 -0.17 0.00 0.00 175.17 174.43 2yuq s TYR 28 N 4.07 3.23 -0.06 -5.34 5.04 -0.54 -4.92 117.35 118.83 2yuq s TYR 28 Ca 0.25 1.43 0.05 0.00 -2.44 0.00 0.00 57.07 56.36 2yuq s TYR 28 Cb -0.14 -3.57 -0.00 0.00 0.35 0.00 0.00 41.96 38.60 2yuq s TYR 28 CO 0.07 -1.56 -0.20 -0.65 -1.34 0.00 0.00 175.55 171.87 2yuq s GLN 29 N -1.24 2.28 -0.18 4.97 -0.21 -1.26 -2.95 119.66 121.06 2yuq s GLN 29 Ca 0.50 -0.73 -0.12 0.00 0.02 0.00 0.00 55.36 55.03 2yuq s GLN 29 Cb -0.37 -1.88 0.06 0.00 1.00 0.00 0.00 33.01 31.82 2yuq s GLN 29 CO 0.46 0.25 0.45 -0.08 -2.12 0.00 0.00 175.29 174.24 2yuq s THR 30 N 0.12 -0.01 -0.71 -0.19 -1.32 -1.26 -5.03 115.64 107.23 2yuq s THR 30 Ca -0.08 0.05 -0.02 0.00 -1.21 0.00 0.00 61.69 60.43 2yuq s THR 30 Cb -0.14 -0.65 0.41 0.00 -1.51 0.00 0.00 72.50 70.61 2yuq s THR 30 CO 0.04 0.02 2.04 0.59 -2.21 0.00 0.00 174.62 175.11 2yuq n ASN 31 N 3.81 7.63 -4.22 8.08 4.13 -1.26 -4.79 115.26 128.63 2yuq n ASN 31 Ca -0.20 -3.78 -0.20 0.00 1.68 0.00 0.00 54.58 52.08 2yuq n ASN 31 Cb 0.56 -1.01 -0.12 0.00 -1.54 0.00 0.00 39.78 37.67 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 -1.54 1.99 0.02 6.41 1.11 -1.26 -5.06 116.67 118.33 2yuq s ASP 32 Ca 0.60 -0.68 -0.22 0.00 0.18 0.00 0.00 52.55 52.44 2yuq s ASP 32 Cb 0.48 -0.08 -0.16 0.00 1.07 0.00 0.00 42.92 44.23 2yuq s ASP 32 CO -0.13 -0.05 1.32 1.55 1.18 0.00 0.00 175.17 179.04 2yuq h PRO 33 N 4.06 0.26 -0.38 8.23 0.13 -2.02 -3.28 132.00 139.01 2yuq h PRO 33 Ca -0.42 -0.14 -0.03 0.00 -0.87 0.00 0.00 66.00 64.53 2yuq h PRO 33 Cb 1.19 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.31 2yuq h PRO 33 CO 0.42 0.68 0.10 -0.56 -0.23 0.00 0.00 178.00 178.41 2yuq h GLN 34 N -0.14 0.60 -6.83 0.86 3.07 -1.97 -3.43 115.11 107.26 2yuq h GLN 34 Ca 0.02 -0.14 -0.50 0.00 0.09 0.00 0.00 58.65 58.11 2yuq h GLN 34 Cb 0.63 -0.08 0.02 0.00 0.08 0.00 0.00 27.48 28.13 2yuq h GLN 34 CO 0.03 0.62 0.48 -1.21 0.09 0.00 0.00 178.83 178.84 2yuq s GLU 35 N -5.33 4.54 0.03 0.06 8.01 -1.24 -2.81 118.70 121.97 2yuq s GLU 35 Ca -0.13 1.81 0.01 0.00 0.01 0.00 0.00 54.97 56.67 2yuq s GLU 35 Cb 0.10 -3.09 -0.04 0.00 -4.31 0.00 0.00 34.13 26.79 2yuq s GLU 35 CO 0.76 0.12 0.06 -1.17 0.01 0.00 0.00 175.26 175.05 2yuq s LEU 36 N -1.64 3.78 -0.55 1.80 2.96 -1.20 -4.61 118.68 119.21 2yuq s LEU 36 Ca 0.47 0.05 -0.19 0.00 -0.22 0.00 0.00 54.13 54.24 2yuq s LEU 36 Cb -0.32 -2.30 0.08 0.00 0.50 0.00 0.00 46.19 44.15 2yuq s LEU 36 CO 0.41 0.24 0.67 0.00 -1.32 0.00 0.00 176.35 176.34 2yuq s ALA 37 N -1.25 3.39 0.41 5.97 0.00 -1.26 -4.76 121.76 124.27 2yuq s ALA 37 Ca 0.25 -1.98 -0.25 0.00 0.00 0.00 0.00 51.96 49.99 2yuq s ALA 37 Cb -0.12 -3.45 -0.08 0.00 0.00 0.00 0.00 23.12 19.47 2yuq s ALA 37 CO 0.16 -2.19 1.14 -0.51 0.00 0.00 0.00 175.76 174.36 2yuq s LEU 38 N 2.69 4.15 -0.02 0.00 1.43 -1.15 -4.89 118.68 120.89 2yuq s LEU 38 Ca 0.14 2.27 -0.02 0.00 -1.03 0.00 0.00 54.13 55.48 2yuq s LEU 38 Cb -0.21 -4.10 -0.04 0.00 0.03 0.00 0.00 46.19 41.87 2yuq s LEU 38 CO 0.09 -0.68 0.13 -0.60 0.23 0.00 0.00 176.35 175.52 2yuq s ARG 39 N -2.41 3.25 0.27 1.70 6.06 -1.26 -1.47 118.95 125.08 2yuq s ARG 39 Ca 0.58 -0.39 -0.29 0.00 -2.50 0.00 0.00 55.73 53.13 2yuq s ARG 39 Cb -0.28 -2.98 -0.10 0.00 0.06 0.00 0.00 34.95 31.65 2yuq s ARG 39 CO 0.35 0.67 1.30 0.50 -2.50 0.00 0.00 175.30 175.62 2yuq s ARG 40 N -1.75 4.39 -1.23 5.12 3.52 -1.26 -3.31 118.95 124.43 2yuq s ARG 40 Ca 0.24 2.12 -0.02 0.00 -0.13 0.00 0.00 55.73 57.94 2yuq s ARG 40 Cb -0.12 -3.13 -0.01 0.00 -1.56 0.00 0.00 34.95 30.13 2yuq s ARG 40 CO 0.15 -0.19 0.83 0.09 -0.81 0.00 0.00 175.30 175.37 2yuq n ASN 41 N 1.68 -2.37 -3.78 -2.12 3.02 -0.91 -4.98 115.26 105.79 2yuq n ASN 41 Ca 0.03 -0.75 -0.13 0.00 -0.03 0.00 0.00 54.58 53.69 2yuq n ASN 41 Cb 0.42 -4.51 -0.14 0.00 -0.61 0.00 0.00 39.78 34.94 2yuq n ASN 41 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2yuq s GLU 42 N -5.58 0.07 0.66 3.52 0.41 -1.21 -4.98 118.70 111.58 2yuq s GLU 42 Ca 0.09 0.25 -0.11 0.00 -0.41 0.00 0.00 54.97 54.78 2yuq s GLU 42 Cb -0.02 -0.12 -0.01 0.00 -1.78 0.00 0.00 34.13 32.20 2yuq s GLU 42 CO 0.78 -0.11 1.05 -1.21 -0.49 0.00 0.00 175.26 175.27 2yuq s GLU 43 N 0.77 3.21 -0.24 1.61 2.02 -1.26 -2.39 118.70 122.41 2yuq s GLU 43 Ca -0.06 0.89 -0.11 0.00 0.02 0.00 0.00 54.97 55.71 2yuq s GLU 43 Cb -0.08 -2.03 0.09 0.00 0.10 0.00 0.00 34.13 32.21 2yuq s GLU 43 CO -0.03 -0.88 0.56 0.71 0.02 0.00 0.00 175.26 175.64 2yuq s TYR 44 N -3.06 -0.98 0.23 1.61 1.51 0.48 -4.69 117.35 112.46 2yuq s TYR 44 Ca 0.57 1.87 -0.30 0.00 -1.01 0.00 0.00 57.07 58.21 2yuq s TYR 44 Cb -0.13 0.53 -0.09 0.00 -0.11 0.00 0.00 41.96 42.16 2yuq s TYR 44 CO 0.53 -0.51 1.25 0.00 -1.11 0.00 0.00 175.55 175.71 2yuq s LEU 46 N -0.69 4.05 -0.11 0.00 2.96 0.15 -1.07 118.68 123.97 2yuq s LEU 46 Ca 0.52 1.04 -0.04 0.00 -0.22 0.00 0.00 54.13 55.43 2yuq s LEU 46 Cb -0.35 -3.34 -0.01 0.00 0.50 0.00 0.00 46.19 42.98 2yuq s LEU 46 CO 0.41 -0.67 -0.08 -0.07 -1.32 0.00 0.00 176.35 174.62 2yuq h LEU 47 N 9.55 0.00 -7.22 -0.68 3.38 -0.95 -3.44 115.31 115.95 2yuq h LEU 47 Ca -0.22 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.65 2yuq h LEU 47 Cb 1.08 0.00 -0.25 0.00 0.09 0.00 0.00 40.66 41.57 2yuq h LEU 47 CO 0.94 0.57 -0.25 -0.62 0.09 0.00 0.00 178.44 179.18 2yuq s ASP 48 N -5.43 -0.53 -0.43 -0.43 -1.08 -1.02 -5.04 116.67 102.71 2yuq s ASP 48 Ca -0.07 0.94 0.05 0.00 -0.52 0.00 0.00 52.55 52.95 2yuq s ASP 48 Cb 0.01 0.85 0.64 0.00 -1.46 0.00 0.00 42.92 42.96 2yuq s ASP 48 CO 0.10 -0.19 1.85 -1.54 0.52 0.00 0.00 175.17 175.92 2yuq n SER 49 N 3.88 3.67 -0.25 -0.34 3.41 -1.26 -1.29 113.62 121.43 2yuq n SER 49 Ca -0.20 -3.64 0.13 0.00 -0.26 0.00 0.00 58.87 54.89 2yuq n SER 49 Cb 0.56 -0.81 0.25 0.00 -0.26 0.00 0.00 64.21 63.94 2yuq n SER 49 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2yuq n SER 50 N -1.14 -0.04 -4.98 4.04 3.41 -1.26 -4.32 113.62 109.33 2yuq n SER 50 Ca 0.56 1.26 -0.19 0.00 -0.26 0.00 0.00 58.87 60.24 2yuq n SER 50 Cb 1.55 -0.48 -0.01 0.00 -0.26 0.00 0.00 64.21 65.02 2yuq n SER 50 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2yuq s GLU 51 N -5.59 3.07 -0.18 4.33 0.41 -1.24 -5.06 118.70 114.43 2yuq s GLU 51 Ca -0.09 -1.05 -0.17 0.00 -0.41 0.00 0.00 54.97 53.25 2yuq s GLU 51 Cb 0.22 -2.78 -0.13 0.00 -1.78 0.00 0.00 34.13 29.66 2yuq s GLU 51 CO 0.58 0.06 0.08 0.82 -0.49 0.00 0.00 175.26 176.31 2yuq h ILE 52 N 0.93 0.58 -0.06 -1.63 2.04 -2.01 -3.41 117.51 113.95 2yuq h ILE 52 Ca -0.46 -1.74 -0.06 0.00 1.00 0.00 0.00 64.86 63.61 2yuq h ILE 52 Cb 1.26 1.40 0.00 0.00 -0.74 0.00 0.00 36.82 38.74 2yuq h ILE 52 CO 0.53 0.20 -0.18 0.45 0.00 0.00 0.00 178.15 179.15 2yuq h HIS 53 N -1.00 0.31 -3.65 1.37 3.86 -1.95 -3.43 115.15 110.66 2yuq h HIS 53 Ca -0.22 -0.12 -0.62 0.00 -1.16 0.00 0.00 60.37 58.25 2yuq h HIS 53 Cb 1.00 -0.05 -0.14 0.00 1.06 0.00 0.00 27.41 29.28 2yuq h HIS 53 CO -0.01 0.80 -0.32 -1.58 0.86 0.00 0.00 177.93 177.67 2yuq s TRP 54 N -3.81 3.29 -0.03 2.45 0.52 -1.26 -0.71 118.94 119.40 2yuq s TRP 54 Ca -0.15 0.38 0.06 0.00 0.02 0.00 0.00 56.10 56.41 2yuq s TRP 54 Cb 0.03 -2.47 -0.02 0.00 -1.15 0.00 0.00 33.47 29.86 2yuq s TRP 54 CO 0.74 -0.09 -0.20 -1.58 0.02 0.00 0.00 176.95 175.84 2yuq s TRP 55 N 1.60 2.53 -0.29 -1.98 0.52 0.32 -3.72 118.94 117.92 2yuq s TRP 55 Ca 0.13 -0.28 -0.19 0.00 0.02 0.00 0.00 56.10 55.78 2yuq s TRP 55 Cb -0.15 -1.56 -0.02 0.00 -1.15 0.00 0.00 33.47 30.59 2yuq s TRP 55 CO 0.08 0.10 0.58 0.50 0.02 0.00 0.00 176.95 178.23 2yuq s ARG 56 N -0.75 3.95 0.35 4.98 3.52 -0.41 -2.37 118.95 128.22 2yuq s ARG 56 Ca 0.11 0.28 0.04 0.00 -0.13 0.00 0.00 55.73 56.03 2yuq s ARG 56 Cb -0.10 -3.70 -0.05 0.00 -1.56 0.00 0.00 34.95 29.53 2yuq s ARG 56 CO 0.00 -0.49 0.07 0.14 -0.81 0.00 0.00 175.30 174.22 2yuq s VAL 57 N 2.47 1.07 -0.03 7.11 -7.23 -1.21 -0.27 120.40 122.31 2yuq s VAL 57 Ca 0.23 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.44 2yuq s VAL 57 Cb -0.15 -2.68 -0.01 0.00 0.56 0.00 0.00 36.38 34.10 2yuq s VAL 57 CO 0.11 0.00 -0.15 -1.58 -0.31 0.00 0.00 175.10 173.17 2yuq s GLN 58 N -3.85 1.38 0.75 4.82 0.74 -0.23 -3.11 119.66 120.16 2yuq s GLN 58 Ca 0.33 -0.52 -0.11 0.00 0.05 0.00 0.00 55.36 55.11 2yuq s GLN 58 Cb 0.07 -1.27 0.05 0.00 1.10 0.00 0.00 33.01 32.97 2yuq s GLN 58 CO 0.15 0.25 1.12 0.34 -0.55 0.00 0.00 175.29 176.60 2yuq s ASP 59 N -0.10 4.90 0.30 6.67 2.15 0.12 -2.90 116.67 127.82 2yuq s ASP 59 Ca 0.00 0.87 0.04 0.00 0.43 0.00 0.00 52.55 53.89 2yuq s ASP 59 Cb -0.09 -1.50 0.67 0.00 -0.30 0.00 0.00 42.92 41.70 2yuq s ASP 59 CO 0.01 -1.65 1.82 -0.09 -0.17 0.00 0.00 175.17 175.09 2yuq h ARG 60 N -0.84 0.84 0.16 4.34 9.65 -1.88 -1.36 114.38 125.29 2yuq h ARG 60 Ca -0.45 -0.05 -0.29 0.00 -1.10 0.00 0.00 59.98 58.08 2yuq h ARG 60 Cb 1.30 -0.19 0.01 0.00 -1.39 0.00 0.00 29.97 29.70 2yuq h ARG 60 CO 0.64 0.55 -1.32 -0.91 2.80 0.00 0.00 179.97 181.74 2yuq h ASN 61 N 0.86 0.54 0.00 -3.80 2.35 -2.00 -3.47 115.58 110.06 2yuq h ASN 61 Ca 0.52 -0.59 0.00 0.00 -0.55 0.00 0.00 56.30 55.69 2yuq h ASN 61 Cb 0.69 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.88 2yuq h ASN 61 CO -0.30 1.46 0.00 0.61 -1.65 0.00 0.00 177.43 177.55 2yuq n GLY 62 N 1.59 0.16 3.61 2.83 0.00 -0.51 -5.10 105.19 107.76 2yuq n GLY 62 Ca -0.11 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.47 2yuq n GLY 62 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2yuq n HIS 63 N 0.00 2.08 -4.54 1.61 8.25 -1.26 -4.36 115.22 117.00 2yuq n HIS 63 Ca 0.00 -0.15 -0.26 0.00 -0.26 0.00 0.00 57.72 57.06 2yuq n HIS 63 Cb 0.00 -2.73 -0.11 0.00 1.12 0.00 0.00 29.99 28.28 2yuq n HIS 63 CO 0.00 0.00 0.00 -1.83 0.64 0.00 0.00 176.34 175.15 2yuq s GLU 64 N 5.77 1.81 0.00 -0.41 4.04 -1.26 0.13 118.70 128.78 2yuq s GLU 64 Ca 0.98 -1.96 0.00 0.00 0.04 0.00 0.00 54.97 54.04 2yuq s GLU 64 Cb -0.42 -1.58 0.00 0.00 0.02 0.00 0.00 34.13 32.15 2yuq s GLU 64 CO 0.39 0.07 0.00 0.41 -1.84 0.00 0.00 175.26 174.29 2yuq n GLY 65 N -0.80 -0.65 3.66 -3.83 0.00 -1.18 -4.57 105.19 97.81 2yuq n GLY 65 Ca -0.05 -0.95 -0.35 0.00 0.00 0.00 0.00 46.02 44.67 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 3.30 0.03 1.61 2.02 -1.12 -3.34 117.35 116.85 2yuq s TYR 66 Ca 0.00 0.15 -0.02 0.00 -0.37 0.00 0.00 57.07 56.83 2yuq s TYR 66 Cb 0.00 -2.14 -0.02 0.00 -0.40 0.00 0.00 41.96 39.40 2yuq s TYR 66 CO 0.00 0.15 0.02 0.14 -1.57 0.00 0.00 175.55 174.29 2yuq s VAL 67 N 0.55 0.14 -0.28 0.71 -7.23 -1.00 -3.28 120.40 110.01 2yuq s VAL 67 Ca 0.05 -1.14 -0.29 0.00 -1.81 0.00 0.00 61.98 58.80 2yuq s VAL 67 Cb -0.12 -0.72 -0.02 0.00 0.56 0.00 0.00 36.38 36.08 2yuq s VAL 67 CO 0.00 -0.63 1.65 -2.16 -0.31 0.00 0.00 175.10 173.66 2yuq s PRO 68 N -2.30 3.61 0.38 4.82 0.04 -1.26 -0.52 135.00 139.77 2yuq s PRO 68 Ca -0.08 1.49 0.20 0.00 0.04 0.00 0.00 61.00 62.65 2yuq s PRO 68 Cb -0.04 -4.09 1.22 0.00 0.04 0.00 0.00 34.50 31.64 2yuq s PRO 68 CO -0.04 -1.52 1.65 0.66 0.04 0.00 0.00 177.00 177.79 2yuq h SER 69 N 11.44 0.41 -0.98 6.66 4.64 -1.17 0.12 113.55 134.66 2yuq h SER 69 Ca -0.33 0.18 0.26 0.00 -0.47 0.00 0.00 61.79 61.43 2yuq h SER 69 Cb 1.15 0.14 -0.18 0.00 -0.31 0.00 0.00 62.40 63.20 2yuq h SER 69 CO 1.02 -0.17 0.01 0.28 -0.87 0.00 0.00 176.83 177.10 2yuq h SER 70 N 0.22 -0.49 -0.48 4.97 0.02 -1.90 0.75 113.55 116.64 2yuq h SER 70 Ca 0.76 0.28 -0.09 0.00 -0.84 0.00 0.00 61.79 61.91 2yuq h SER 70 Cb 2.00 0.49 -0.02 0.00 0.14 0.00 0.00 62.40 65.01 2yuq h SER 70 CO -0.55 -0.35 -0.03 1.88 -1.14 0.00 0.00 176.83 176.64 2yuq h TYR 71 N 0.01 0.96 -4.01 3.45 -1.99 -1.12 -3.44 116.97 110.84 2yuq h TYR 71 Ca 0.59 -0.18 -0.51 0.00 2.00 0.00 0.00 58.73 60.63 2yuq h TYR 71 Cb 1.19 -0.25 0.07 0.00 2.00 0.00 0.00 36.73 39.74 2yuq h TYR 71 CO -0.51 0.92 0.48 -0.51 -0.00 0.00 0.00 178.16 178.55 2yuq s LEU 72 N -9.34 3.98 -0.11 3.88 1.43 0.26 -0.87 118.68 117.92 2yuq s LEU 72 Ca -0.12 2.31 -0.06 0.00 -1.03 0.00 0.00 54.13 55.22 2yuq s LEU 72 Cb 0.12 -4.28 0.04 0.00 0.03 0.00 0.00 46.19 42.10 2yuq s LEU 72 CO 0.83 -0.98 0.26 0.68 0.23 0.00 0.00 176.35 177.37 2yuq s VAL 73 N -1.56 -0.03 -0.13 -1.59 -7.23 0.12 -4.88 120.40 105.10 2yuq s VAL 73 Ca 0.65 0.10 -0.29 0.00 -1.81 0.00 0.00 61.98 60.63 2yuq s VAL 73 Cb -0.29 -0.39 -0.05 0.00 0.56 0.00 0.00 36.38 36.21 2yuq s VAL 73 CO 0.34 0.04 1.81 -0.70 -0.31 0.00 0.00 175.10 176.29 2yuq s GLU 74 N 0.97 3.83 -0.54 4.82 2.12 -1.26 -0.75 118.70 127.89 2yuq s GLU 74 Ca -0.07 2.04 -0.38 0.00 0.36 0.00 0.00 54.97 56.92 2yuq s GLU 74 Cb -0.08 -4.11 -0.18 0.00 0.26 0.00 0.00 34.13 30.02 2yuq s GLU 74 CO -0.07 -1.28 2.05 1.17 -0.54 0.00 0.00 175.26 176.59 2yuq n LYS 75 N 7.73 0.00 -3.83 4.30 3.00 -1.14 -4.89 118.16 123.33 2yuq n LYS 75 Ca 0.21 0.00 -0.32 0.00 -0.00 0.00 0.00 58.31 58.20 2yuq n LYS 75 Cb 0.44 -1.37 -0.04 0.00 0.00 0.00 0.00 35.03 34.05 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 5.97 6.42 0.00 3.14 1.04 -1.26 -4.98 113.70 124.02 2yuq s SER 76 Ca 1.12 0.41 0.16 0.00 0.48 0.00 0.00 55.95 58.11 2yuq s SER 76 Cb -1.33 -2.02 0.92 0.00 0.10 0.00 0.00 66.02 63.69 2yuq s SER 76 CO 0.58 0.16 1.35 -0.81 0.98 0.00 0.00 173.24 175.49 2yuq n PRO 77 N 0.44 0.47 -1.38 4.02 -0.04 -1.26 -4.87 135.00 132.38 2yuq n PRO 77 Ca -0.06 0.01 -0.45 0.00 -0.04 0.00 0.00 63.50 62.96 2yuq n PRO 77 Cb 0.52 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.46 2yuq n PRO 77 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2yuq n ASN 78 N -1.02 -1.65 -4.40 3.54 6.94 -1.26 -4.59 115.26 112.82 2yuq n ASN 78 Ca 0.11 1.01 -0.51 0.00 -0.02 0.00 0.00 54.58 55.18 2yuq n ASN 78 Cb 0.06 -0.95 -0.09 0.00 -2.36 0.00 0.00 39.78 36.43 2yuq n ASN 78 CO 0.00 0.00 0.00 -0.46 -1.03 0.00 0.00 177.26 175.77 2yuq n ASN 79 N 2.03 1.56 -3.86 0.53 0.23 -1.26 -4.90 115.26 109.59 2yuq n ASN 79 Ca 0.15 0.40 -0.11 0.00 -0.53 0.00 0.00 54.58 54.48 2yuq n ASN 79 Cb 0.31 -1.15 -0.10 0.00 -2.08 0.00 0.00 39.78 36.76 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 7.46 1.49 -0.98 -4.53 2.96 -1.26 -5.10 118.68 118.73 2yuq s LEU 80 Ca 1.15 -0.11 -0.17 0.00 -0.22 0.00 0.00 54.13 54.77 2yuq s LEU 80 Cb -1.04 0.69 0.15 0.00 0.50 0.00 0.00 46.19 46.49 2yuq s LEU 80 CO 0.52 -0.33 1.15 -1.61 -1.32 0.00 0.00 176.35 174.76 2yuq s GLU 81 N -1.16 3.71 0.00 1.98 2.02 -1.26 -4.77 118.70 119.22 2yuq s GLU 81 Ca -0.12 -2.03 0.23 0.00 0.02 0.00 0.00 54.97 53.07 2yuq s GLU 81 Cb -0.07 -4.88 0.45 0.00 0.10 0.00 0.00 34.13 29.73 2yuq s GLU 81 CO 0.01 -1.71 1.42 0.25 0.02 0.00 0.00 175.26 175.25 2yuq n THR 82 N 5.10 0.48 -0.65 3.63 -2.24 -1.26 -4.99 114.28 114.34 2yuq n THR 82 Ca 0.25 -0.71 -0.32 0.00 -2.27 0.00 0.00 64.05 61.00 2yuq n THR 82 Cb 0.47 0.94 0.18 0.00 -2.10 0.00 0.00 70.33 69.82 2yuq n THR 82 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 2yuq n TYR 83 N 1.41 -1.35 -3.75 4.78 4.02 -1.26 -5.01 117.16 116.00 2yuq n TYR 83 Ca 0.19 0.10 -0.30 0.00 -0.01 0.00 0.00 57.90 57.89 2yuq n TYR 83 Cb 0.59 -1.63 -0.15 0.00 -0.02 0.00 0.00 39.34 38.13 2yuq n TYR 83 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 176.86 173.85 2yuq s GLU 84 N -3.66 0.77 0.00 -0.72 2.12 -1.26 -5.10 118.70 110.84 2yuq s GLU 84 Ca 0.59 -1.07 0.00 0.00 0.36 0.00 0.00 54.97 54.85 2yuq s GLU 84 Cb -0.16 -2.06 0.00 0.00 0.26 0.00 0.00 34.13 32.17 2yuq s GLU 84 CO 0.66 -0.96 0.28 0.91 -0.54 0.00 0.00 175.26 175.62