#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yuq h SER 2 N 0.00 -0.01 -3.32 1.61 4.64 -2.11 -3.43 113.55 110.93 2yuq h SER 2 Ca 0.00 0.01 -0.50 0.00 -0.47 0.00 0.00 61.79 60.83 2yuq h SER 2 Cb 0.00 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 2yuq h SER 2 CO 0.00 0.01 -0.05 -0.94 -0.87 0.00 0.00 176.83 174.98 2yuq s SER 3 N -5.21 6.40 0.00 4.97 1.04 -1.26 -4.99 113.70 114.66 2yuq s SER 3 Ca -0.13 0.80 0.00 0.00 0.48 0.00 0.00 55.95 57.10 2yuq s SER 3 Cb 0.07 -2.18 0.00 0.00 0.10 0.00 0.00 66.02 64.01 2yuq s SER 3 CO 0.67 -0.33 0.00 0.61 0.98 0.00 0.00 173.24 175.17 2yuq n GLY 4 N -1.40 2.59 3.85 7.32 0.00 -1.26 -5.11 105.19 111.18 2yuq n GLY 4 Ca -0.01 -1.31 -0.29 0.00 0.00 0.00 0.00 46.02 44.42 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 5.87 0.08 1.61 0.01 -1.26 -5.12 113.70 114.89 2yuq s SER 5 Ca 0.00 0.06 -0.19 0.00 1.31 0.00 0.00 55.95 57.13 2yuq s SER 5 Cb 0.00 -1.66 0.04 0.00 0.21 0.00 0.00 66.02 64.61 2yuq s SER 5 CO 0.00 0.12 0.46 -0.55 0.41 0.00 0.00 173.24 173.68 2yuq s SER 6 N -2.75 -0.34 -0.28 2.44 0.15 -1.26 -5.07 113.70 106.59 2yuq s SER 6 Ca 0.32 -0.04 0.16 0.00 0.70 0.00 0.00 55.95 57.08 2yuq s SER 6 Cb -0.12 0.48 0.48 0.00 -1.71 0.00 0.00 66.02 65.15 2yuq s SER 6 CO 0.25 -0.77 1.14 0.61 1.20 0.00 0.00 173.24 175.67 2yuq n GLY 7 N 0.17 3.82 4.29 9.45 0.00 -1.26 -4.97 105.19 116.70 2yuq n GLY 7 Ca -0.18 -1.79 -0.36 0.00 0.00 0.00 0.00 46.02 43.69 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 -0.62 -2.26 -2.43 1.61 0.00 -1.26 -4.86 120.64 110.82 2yuq n GLU 8 Ca 0.23 0.28 -0.42 0.00 0.00 0.00 0.00 57.16 57.25 2yuq n GLU 8 Cb 0.87 -4.76 -0.03 0.00 0.00 0.00 0.00 31.44 27.52 2yuq n GLU 8 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 2yuq s ASP 9 N -3.53 7.07 -0.17 4.31 2.15 -1.26 -4.95 116.67 120.29 2yuq s ASP 9 Ca 0.60 1.95 -0.16 0.00 0.43 0.00 0.00 52.55 55.37 2yuq s ASP 9 Cb -0.34 -2.57 -0.13 0.00 -0.30 0.00 0.00 42.92 39.59 2yuq s ASP 9 CO 0.96 -0.51 0.11 -0.55 -0.17 0.00 0.00 175.17 175.02 2yuq h ASN 10 N 7.05 0.00 -4.12 -0.34 7.08 -2.06 -3.47 115.58 119.71 2yuq h ASN 10 Ca -0.39 -0.34 -0.47 0.00 -3.08 0.00 0.00 56.30 52.02 2yuq h ASN 10 Cb 1.20 0.00 0.14 0.00 -2.08 0.00 0.00 38.32 37.57 2yuq h ASN 10 CO 0.83 1.11 0.27 0.00 -2.08 0.00 0.00 177.43 177.56 2yuq s ARG 11 N -2.24 1.26 -0.28 4.14 3.03 -1.26 -5.08 118.95 118.52 2yuq s ARG 11 Ca -0.21 0.58 -0.24 0.00 2.03 0.00 0.00 55.73 57.90 2yuq s ARG 11 Cb 0.03 -1.83 0.10 0.00 -1.03 0.00 0.00 34.95 32.23 2yuq s ARG 11 CO 0.42 -2.18 0.89 0.50 -1.13 0.00 0.00 175.30 173.80 2yuq s ARG 12 N -5.08 0.64 0.88 3.89 6.06 -1.26 -5.17 118.95 118.91 2yuq s ARG 12 Ca 0.63 0.79 -0.11 0.00 -2.50 0.00 0.00 55.73 54.54 2yuq s ARG 12 Cb -0.16 0.29 0.12 0.00 0.06 0.00 0.00 34.95 35.26 2yuq s ARG 12 CO 0.56 -0.08 1.09 -1.25 -2.50 0.00 0.00 175.30 173.12 2yuq s PRO 13 N 0.43 1.37 -0.06 5.12 0.04 -1.26 -5.04 135.00 135.60 2yuq s PRO 13 Ca 0.01 0.86 -0.06 0.00 0.04 0.00 0.00 61.00 61.85 2yuq s PRO 13 Cb -0.05 -1.82 -0.02 0.00 0.04 0.00 0.00 34.50 32.65 2yuq s PRO 13 CO -0.05 -2.17 -0.12 1.28 0.04 0.00 0.00 177.00 175.98 2yuq n LEU 14 N -3.84 0.71 -0.04 -3.56 4.32 -1.26 -4.89 117.00 108.44 2yuq n LEU 14 Ca 0.07 0.12 -0.01 0.00 -0.02 0.00 0.00 56.01 56.17 2yuq n LEU 14 Cb 0.55 -0.54 -0.00 0.00 -1.62 0.00 0.00 43.42 41.81 2yuq n LEU 14 CO 0.55 -0.43 -0.07 -0.50 -1.22 0.00 0.00 177.39 175.71 2yuq h TRP 15 N -0.34 0.00 -1.63 -1.77 4.06 -1.97 -3.50 115.95 110.80 2yuq h TRP 15 Ca 0.00 0.00 0.06 0.00 2.06 0.00 0.00 58.89 61.01 2yuq h TRP 15 Cb 0.34 0.00 -0.23 0.00 -1.00 0.00 0.00 29.16 28.27 2yuq h TRP 15 CO -0.15 0.00 0.47 -1.21 -3.56 0.00 0.00 178.44 174.00 2yuq s GLU 16 N -1.50 0.64 -0.02 0.49 2.02 -1.26 -5.04 118.70 114.03 2yuq s GLU 16 Ca -0.03 0.27 -0.26 0.00 0.02 0.00 0.00 54.97 54.97 2yuq s GLU 16 Cb 0.00 0.30 -0.20 0.00 0.10 0.00 0.00 34.13 34.34 2yuq s GLU 16 CO 0.05 -0.18 1.27 -1.00 0.02 0.00 0.00 175.26 175.42 2yuq h PRO 17 N 2.99 0.01 -0.40 0.39 0.13 -1.96 -3.29 132.00 129.87 2yuq h PRO 17 Ca -0.22 -0.01 -0.11 0.00 -0.87 0.00 0.00 66.00 64.80 2yuq h PRO 17 Cb 1.16 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 2yuq h PRO 17 CO 0.28 0.50 -0.18 1.49 -0.23 0.00 0.00 178.00 179.85 2yuq h GLU 18 N -0.48 0.83 -7.03 0.86 4.81 -2.06 -3.44 114.58 108.07 2yuq h GLU 18 Ca 0.00 -0.36 -0.52 0.00 -0.13 0.00 0.00 59.36 58.35 2yuq h GLU 18 Cb 0.49 -0.03 0.09 0.00 0.63 0.00 0.00 28.75 29.94 2yuq h GLU 18 CO 0.00 0.99 0.53 -1.21 -0.73 0.00 0.00 179.01 178.59 2yuq s GLU 19 N -4.64 3.46 -0.42 1.92 0.41 -1.24 -4.98 118.70 113.21 2yuq s GLU 19 Ca -0.12 1.95 -0.17 0.00 -0.41 0.00 0.00 54.97 56.22 2yuq s GLU 19 Cb 0.10 -2.31 0.02 0.00 -1.78 0.00 0.00 34.13 30.16 2yuq s GLU 19 CO 0.84 -0.84 0.43 0.99 -0.49 0.00 0.00 175.26 176.19 2yuq s THR 20 N -1.46 5.09 -0.25 3.63 2.01 -1.26 -4.72 115.64 118.69 2yuq s THR 20 Ca 0.68 -0.34 -0.16 0.00 0.31 0.00 0.00 61.69 62.17 2yuq s THR 20 Cb -0.33 -4.03 -0.03 0.00 0.01 0.00 0.00 72.50 68.12 2yuq s THR 20 CO 0.39 -0.41 0.44 -0.69 -0.69 0.00 0.00 174.62 173.67 2yuq s VAL 21 N 2.12 5.13 0.20 3.82 1.01 -1.26 -1.82 120.40 129.61 2yuq s VAL 21 Ca 0.12 0.74 0.09 0.00 0.00 0.00 0.00 61.98 62.93 2yuq s VAL 21 Cb -0.17 -3.76 -0.04 0.00 0.00 0.00 0.00 36.38 32.40 2yuq s VAL 21 CO 0.13 0.15 -0.07 0.68 0.00 0.00 0.00 175.10 175.99 2yuq s VAL 22 N 1.98 3.26 0.05 2.92 -7.23 0.36 -2.66 120.40 119.08 2yuq s VAL 22 Ca 0.19 -1.70 0.09 0.00 -1.81 0.00 0.00 61.98 58.74 2yuq s VAL 22 Cb -0.15 -2.64 -0.03 0.00 0.56 0.00 0.00 36.38 34.12 2yuq s VAL 22 CO 0.09 -0.16 -0.25 -0.63 -0.31 0.00 0.00 175.10 173.84 2yuq s ILE 23 N -1.84 1.99 0.25 -0.62 1.01 0.27 0.10 121.20 122.37 2yuq s ILE 23 Ca 0.26 -1.36 -0.14 0.00 0.00 0.00 0.00 60.65 59.41 2yuq s ILE 23 Cb -0.08 -1.72 -0.08 0.00 0.01 0.00 0.00 42.46 40.59 2yuq s ILE 23 CO 0.16 0.29 0.66 0.00 0.00 0.00 0.00 174.94 176.05 2yuq s ALA 24 N -0.83 3.44 -0.15 9.38 0.00 -1.08 0.12 121.76 132.65 2yuq s ALA 24 Ca 0.10 -0.04 0.08 0.00 0.00 0.00 0.00 51.96 52.10 2yuq s ALA 24 Cb -0.10 -2.66 -0.23 0.00 0.00 0.00 0.00 23.12 20.14 2yuq s ALA 24 CO 0.02 0.39 0.25 1.28 0.00 0.00 0.00 175.76 177.71 2yuq n LEU 25 N 0.10 1.45 -4.16 0.00 4.77 -0.27 -3.03 117.00 115.87 2yuq n LEU 25 Ca 0.00 0.14 -0.18 0.00 -0.03 0.00 0.00 56.01 55.94 2yuq n LEU 25 Cb 0.52 -0.25 -0.12 0.00 -2.33 0.00 0.00 43.42 41.25 2yuq n LEU 25 CO 0.43 0.64 -0.45 -0.31 -1.33 0.00 0.00 177.39 176.36 2yuq s TYR 26 N -2.54 1.16 -0.86 -1.77 1.51 -1.26 -4.71 117.35 108.87 2yuq s TYR 26 Ca -0.16 -0.45 -0.25 0.00 -1.01 0.00 0.00 57.07 55.20 2yuq s TYR 26 Cb 0.07 -0.66 -0.02 0.00 -0.11 0.00 0.00 41.96 41.25 2yuq s TYR 26 CO 0.77 0.04 1.78 0.16 -1.11 0.00 0.00 175.55 177.18 2yuq s ASP 27 N -1.65 5.53 0.54 2.29 -4.77 -1.26 -4.53 116.67 112.82 2yuq s ASP 27 Ca -0.02 -0.64 -0.19 0.00 -3.30 0.00 0.00 52.55 48.40 2yuq s ASP 27 Cb -0.10 -2.56 -0.06 0.00 -1.09 0.00 0.00 42.92 39.11 2yuq s ASP 27 CO 0.02 -2.35 1.10 -0.47 0.70 0.00 0.00 175.17 174.18 2yuq s TYR 28 N 8.48 2.76 0.06 2.11 5.04 -1.13 -4.94 117.35 129.73 2yuq s TYR 28 Ca 0.62 1.55 0.04 0.00 -2.44 0.00 0.00 57.07 56.84 2yuq s TYR 28 Cb -0.06 -3.22 -0.03 0.00 0.35 0.00 0.00 41.96 39.00 2yuq s TYR 28 CO 0.02 -1.38 -0.12 -0.65 -1.34 0.00 0.00 175.55 172.08 2yuq s GLN 29 N -3.33 0.73 -0.26 4.97 -0.21 -1.26 -3.33 119.66 116.98 2yuq s GLN 29 Ca 0.71 -0.90 -0.26 0.00 0.02 0.00 0.00 55.36 54.93 2yuq s GLN 29 Cb -0.22 -0.67 0.12 0.00 1.00 0.00 0.00 33.01 33.24 2yuq s GLN 29 CO 0.26 0.14 0.98 -0.08 -2.12 0.00 0.00 175.29 174.47 2yuq s THR 30 N -1.32 0.00 -0.47 -0.19 -1.32 -1.26 -4.97 115.64 106.11 2yuq s THR 30 Ca -0.04 0.00 0.03 0.00 -1.21 0.00 0.00 61.69 60.47 2yuq s THR 30 Cb -0.10 -1.00 0.44 0.00 -1.51 0.00 0.00 72.50 70.33 2yuq s THR 30 CO 0.02 0.00 1.48 0.59 -2.21 0.00 0.00 174.62 174.50 2yuq n ASN 31 N 2.04 5.89 -4.04 8.08 4.13 -1.26 -4.81 115.26 125.29 2yuq n ASN 31 Ca -0.13 -3.76 -0.16 0.00 1.68 0.00 0.00 54.58 52.21 2yuq n ASN 31 Cb 0.56 -0.60 -0.13 0.00 -1.54 0.00 0.00 39.78 38.07 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 -2.88 0.97 0.52 6.41 1.11 -1.26 -5.03 116.67 116.50 2yuq s ASP 32 Ca 0.54 -0.31 0.33 0.00 0.18 0.00 0.00 52.55 53.29 2yuq s ASP 32 Cb 0.44 -0.05 1.35 0.00 1.07 0.00 0.00 42.92 45.73 2yuq s ASP 32 CO -0.05 -0.01 1.96 1.55 1.18 0.00 0.00 175.17 179.79 2yuq h PRO 33 N 5.33 0.00 0.00 8.23 0.13 -1.98 -2.49 132.00 141.22 2yuq h PRO 33 Ca -0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 2yuq h PRO 33 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2yuq h PRO 33 CO 0.46 0.00 -0.32 1.96 -0.23 0.00 0.00 178.00 179.87 2yuq h GLN 34 N 0.00 0.00 -6.11 0.86 4.20 -1.96 -3.47 115.11 108.64 2yuq h GLN 34 Ca 0.00 0.00 -0.58 0.00 0.06 0.00 0.00 58.65 58.13 2yuq h GLN 34 Cb 0.47 0.00 -0.11 0.00 0.30 0.00 0.00 27.48 28.15 2yuq h GLN 34 CO 0.00 0.00 -0.64 -1.21 -0.67 0.00 0.00 178.83 176.31 2yuq s GLU 35 N -3.17 2.11 0.20 1.46 2.02 -0.94 -1.38 118.70 119.00 2yuq s GLU 35 Ca 0.07 -1.63 0.10 0.00 0.02 0.00 0.00 54.97 53.53 2yuq s GLU 35 Cb 0.11 -1.99 -0.04 0.00 0.10 0.00 0.00 34.13 32.30 2yuq s GLU 35 CO 0.67 0.23 -0.19 -1.17 0.02 0.00 0.00 175.26 174.83 2yuq s LEU 36 N -3.68 2.49 -0.48 1.80 2.96 -1.26 -4.69 118.68 115.82 2yuq s LEU 36 Ca 0.33 -0.92 -0.13 0.00 -0.22 0.00 0.00 54.13 53.19 2yuq s LEU 36 Cb -0.03 -0.91 0.10 0.00 0.50 0.00 0.00 46.19 45.85 2yuq s LEU 36 CO 0.19 -0.02 0.38 0.00 -1.32 0.00 0.00 176.35 175.59 2yuq s ALA 37 N -2.22 3.49 0.64 5.97 0.00 -1.26 -4.66 121.76 123.72 2yuq s ALA 37 Ca 0.20 -2.31 -0.16 0.00 0.00 0.00 0.00 51.96 49.70 2yuq s ALA 37 Cb -0.05 -2.98 -0.01 0.00 0.00 0.00 0.00 23.12 20.08 2yuq s ALA 37 CO 0.09 -1.82 1.12 -0.51 0.00 0.00 0.00 175.76 174.64 2yuq s LEU 38 N 1.53 3.44 -0.06 0.00 1.43 -1.21 -4.91 118.68 118.90 2yuq s LEU 38 Ca 0.04 2.04 0.01 0.00 -1.03 0.00 0.00 54.13 55.19 2yuq s LEU 38 Cb -0.26 -4.56 -0.03 0.00 0.03 0.00 0.00 46.19 41.38 2yuq s LEU 38 CO 0.03 -1.59 -0.08 -0.60 0.23 0.00 0.00 176.35 174.34 2yuq s ARG 39 N -3.97 2.71 0.13 1.70 6.06 -1.26 -2.85 118.95 121.47 2yuq s ARG 39 Ca 0.68 -0.57 -0.31 0.00 -2.50 0.00 0.00 55.73 53.03 2yuq s ARG 39 Cb -0.21 -2.56 -0.10 0.00 0.06 0.00 0.00 34.95 32.14 2yuq s ARG 39 CO 0.39 0.66 1.69 0.50 -2.50 0.00 0.00 175.30 176.04 2yuq s ARG 40 N -0.80 4.17 -1.16 5.12 3.52 -1.26 -2.73 118.95 125.81 2yuq s ARG 40 Ca 0.12 2.46 -0.01 0.00 -0.13 0.00 0.00 55.73 58.17 2yuq s ARG 40 Cb -0.11 -3.38 -0.02 0.00 -1.56 0.00 0.00 34.95 29.89 2yuq s ARG 40 CO 0.01 -0.73 0.98 0.09 -0.81 0.00 0.00 175.30 174.85 2yuq n ASN 41 N 4.87 -3.07 -3.93 -2.12 3.02 -1.17 -5.01 115.26 107.86 2yuq n ASN 41 Ca 0.16 -0.64 -0.16 0.00 -0.03 0.00 0.00 54.58 53.91 2yuq n ASN 41 Cb 0.38 -5.14 -0.15 0.00 -0.61 0.00 0.00 39.78 34.26 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 -5.14 0.42 0.58 3.52 0.41 -1.10 -4.99 118.70 112.39 2yuq s GLU 42 Ca 0.10 -0.13 -0.13 0.00 -0.41 0.00 0.00 54.97 54.40 2yuq s GLU 42 Cb -0.01 -0.43 -0.06 0.00 -1.78 0.00 0.00 34.13 31.85 2yuq s GLU 42 CO 0.73 0.05 1.01 -1.21 -0.49 0.00 0.00 175.26 175.35 2yuq s GLU 43 N 0.16 3.75 -0.00 1.61 2.02 -1.26 -2.63 118.70 122.33 2yuq s GLU 43 Ca -0.01 0.84 -0.15 0.00 0.02 0.00 0.00 54.97 55.66 2yuq s GLU 43 Cb -0.05 -2.10 0.02 0.00 0.10 0.00 0.00 34.13 32.10 2yuq s GLU 43 CO -0.00 -0.45 0.33 0.71 0.02 0.00 0.00 175.26 175.87 2yuq s TYR 44 N -2.94 -0.19 -0.26 1.61 1.51 0.29 -4.68 117.35 112.69 2yuq s TYR 44 Ca 0.57 0.25 -0.16 0.00 -1.01 0.00 0.00 57.07 56.72 2yuq s TYR 44 Cb -0.11 0.11 -0.04 0.00 -0.11 0.00 0.00 41.96 41.82 2yuq s TYR 44 CO 0.44 -0.42 0.40 0.00 -1.11 0.00 0.00 175.55 174.86 2yuq s LEU 46 N 2.04 3.21 -0.00 0.00 2.96 -0.75 -1.35 118.68 124.78 2yuq s LEU 46 Ca 0.17 -0.29 -0.15 0.00 -0.22 0.00 0.00 54.13 53.64 2yuq s LEU 46 Cb -0.16 -2.55 -0.08 0.00 0.50 0.00 0.00 46.19 43.90 2yuq s LEU 46 CO 0.10 -2.00 0.84 -0.07 -1.32 0.00 0.00 176.35 173.90 2yuq h LEU 47 N 14.09 -0.45 -8.21 -0.68 3.38 -1.37 -3.43 115.31 118.64 2yuq h LEU 47 Ca -0.24 0.02 -0.32 0.00 0.09 0.00 0.00 57.88 57.42 2yuq h LEU 47 Cb 1.08 0.12 -0.22 0.00 0.09 0.00 0.00 40.66 41.72 2yuq h LEU 47 CO 1.27 -0.20 -0.75 -1.81 0.09 0.00 0.00 178.44 177.03 2yuq s ASP 48 N -3.74 1.08 -0.27 -0.43 1.11 -0.98 -5.05 116.67 108.39 2yuq s ASP 48 Ca -0.08 -0.51 0.11 0.00 0.18 0.00 0.00 52.55 52.25 2yuq s ASP 48 Cb 0.01 -0.01 0.46 0.00 1.07 0.00 0.00 42.92 44.46 2yuq s ASP 48 CO 0.23 -0.13 1.18 -1.54 1.18 0.00 0.00 175.17 176.09 2yuq n SER 49 N 1.61 3.93 -0.17 0.27 3.41 -1.26 -2.24 113.62 119.17 2yuq n SER 49 Ca -0.21 -3.44 -0.05 0.00 -0.26 0.00 0.00 58.87 54.92 2yuq n SER 49 Cb 0.55 -0.38 0.02 0.00 -0.26 0.00 0.00 64.21 64.13 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 2.09 -0.91 -5.42 4.04 0.87 -1.97 -3.42 113.55 108.84 2yuq h SER 50 Ca 0.23 0.20 -0.39 0.00 -1.23 0.00 0.00 61.79 60.60 2yuq h SER 50 Cb 1.45 0.47 0.06 0.00 -0.44 0.00 0.00 62.40 63.94 2yuq h SER 50 CO 0.57 -0.27 0.05 -0.62 -0.53 0.00 0.00 176.83 176.03 2yuq n GLU 51 N -5.42 0.19 -0.05 2.24 1.02 -1.26 -5.07 120.64 112.29 2yuq n GLU 51 Ca 0.04 -2.34 -0.09 0.00 -0.02 0.00 0.00 57.16 54.74 2yuq n GLU 51 Cb 0.33 -0.45 -0.04 0.00 -0.02 0.00 0.00 31.44 31.26 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 -2.45 0.54 0.10 -3.67 5.41 -1.26 -4.69 119.36 113.34 2yuq n ILE 52 Ca 0.14 -0.16 -0.05 0.00 1.00 0.00 0.00 62.75 63.68 2yuq n ILE 52 Cb 0.49 -1.38 0.07 0.00 -0.71 0.00 0.00 39.64 38.12 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 -0.24 0.17 -3.29 1.39 3.86 -1.97 -3.41 115.15 111.66 2yuq h HIS 53 Ca -0.24 -0.08 -0.67 0.00 -1.16 0.00 0.00 60.37 58.22 2yuq h HIS 53 Cb 1.25 -0.02 -0.36 0.00 1.06 0.00 0.00 27.41 29.34 2yuq h HIS 53 CO -0.02 0.81 -0.84 -1.58 0.86 0.00 0.00 177.93 177.16 2yuq s TRP 54 N -3.43 2.92 0.05 2.45 0.52 -1.26 -1.36 118.94 118.82 2yuq s TRP 54 Ca -0.02 -1.84 0.04 0.00 0.02 0.00 0.00 56.10 54.30 2yuq s TRP 54 Cb 0.11 -1.92 -0.04 0.00 -1.15 0.00 0.00 33.47 30.47 2yuq s TRP 54 CO 0.80 -0.83 -0.05 -1.58 0.02 0.00 0.00 176.95 175.30 2yuq s TRP 55 N 1.24 2.89 -0.36 -1.98 0.52 -0.16 -4.05 118.94 117.04 2yuq s TRP 55 Ca 0.01 -0.06 -0.12 0.00 0.02 0.00 0.00 56.10 55.95 2yuq s TRP 55 Cb -0.15 -1.55 0.00 0.00 -1.15 0.00 0.00 33.47 30.62 2yuq s TRP 55 CO -0.11 0.42 0.23 0.50 0.02 0.00 0.00 176.95 178.01 2yuq s ARG 56 N -1.82 3.21 0.36 4.98 3.52 -0.95 -1.81 118.95 126.45 2yuq s ARG 56 Ca 0.20 -0.83 0.05 0.00 -0.13 0.00 0.00 55.73 55.02 2yuq s ARG 56 Cb -0.11 -3.79 -0.06 0.00 -1.56 0.00 0.00 34.95 29.42 2yuq s ARG 56 CO 0.12 -0.56 0.05 0.14 -0.81 0.00 0.00 175.30 174.23 2yuq s VAL 57 N 1.66 1.39 -0.19 7.11 -7.23 -1.24 -0.94 120.40 120.95 2yuq s VAL 57 Ca 0.05 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.23 2yuq s VAL 57 Cb -0.18 -2.80 0.04 0.00 0.56 0.00 0.00 36.38 34.00 2yuq s VAL 57 CO 0.09 0.00 -0.12 -1.58 -0.31 0.00 0.00 175.10 173.18 2yuq s GLN 58 N -3.83 2.17 1.16 4.82 0.74 -0.46 -3.45 119.66 120.82 2yuq s GLN 58 Ca 0.34 -0.81 -0.14 0.00 0.05 0.00 0.00 55.36 54.80 2yuq s GLN 58 Cb 0.08 -2.39 0.26 0.00 1.10 0.00 0.00 33.01 32.06 2yuq s GLN 58 CO 0.16 -0.38 0.84 -0.40 -0.55 0.00 0.00 175.29 174.95 2yuq n ASP 59 N 4.68 -1.83 0.27 6.67 5.75 -0.11 -3.37 116.55 128.62 2yuq n ASP 59 Ca -0.16 -0.14 0.18 0.00 -0.01 0.00 0.00 54.79 54.66 2yuq n ASP 59 Cb 0.47 -1.21 0.90 0.00 -1.03 0.00 0.00 41.12 40.25 2yuq n ASP 59 CO 0.00 0.00 0.00 0.08 -0.11 0.00 0.00 177.20 177.17 2yuq h ARG 60 N -2.57 0.00 0.09 0.11 0.11 -1.90 -2.34 114.38 107.88 2yuq h ARG 60 Ca -0.60 0.00 -0.29 0.00 0.10 0.00 0.00 59.98 59.19 2yuq h ARG 60 Cb 1.34 0.00 0.03 0.00 1.11 0.00 0.00 29.97 32.44 2yuq h ARG 60 CO 0.47 0.00 -1.17 -0.91 0.10 0.00 0.00 179.97 178.45 2yuq h ASN 61 N 0.00 0.87 0.00 0.08 4.21 -2.00 -3.48 115.58 115.27 2yuq h ASN 61 Ca 0.00 -0.81 0.00 0.00 1.21 0.00 0.00 56.30 56.70 2yuq h ASN 61 Cb 0.20 -0.27 0.00 0.00 -1.12 0.00 0.00 38.32 37.12 2yuq h ASN 61 CO 0.00 1.58 0.00 0.61 -1.29 0.00 0.00 177.43 178.33 2yuq n GLY 62 N 1.31 0.34 3.91 2.83 0.00 -0.88 -5.14 105.19 107.56 2yuq n GLY 62 Ca -0.13 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.91 3.20 0.28 1.61 3.76 -1.26 -4.81 115.29 117.16 2yuq s HIS 63 Ca 0.00 0.67 0.04 0.00 -0.15 0.00 0.00 55.06 55.63 2yuq s HIS 63 Cb 0.00 -2.88 -0.03 0.00 1.11 0.00 0.00 32.58 30.78 2yuq s HIS 63 CO 0.00 -0.99 0.23 -1.21 -0.85 0.00 0.00 174.74 171.92 2yuq s GLU 64 N -5.10 1.57 0.00 1.40 2.02 -1.26 -0.93 118.70 116.39 2yuq s GLU 64 Ca 0.56 -1.88 0.00 0.00 0.02 0.00 0.00 54.97 53.67 2yuq s GLU 64 Cb -0.11 0.31 0.00 0.00 0.10 0.00 0.00 34.13 34.43 2yuq s GLU 64 CO 0.46 -0.56 0.00 0.41 0.02 0.00 0.00 175.26 175.59 2yuq n GLY 65 N -0.50 1.47 3.54 -1.39 0.00 -1.22 -4.51 105.19 102.57 2yuq n GLY 65 Ca 0.06 -1.03 -0.43 0.00 0.00 0.00 0.00 46.02 44.62 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 2.79 0.16 1.61 2.02 -0.48 -3.71 117.35 117.75 2yuq s TYR 66 Ca 0.00 0.15 0.07 0.00 -0.37 0.00 0.00 57.07 56.92 2yuq s TYR 66 Cb 0.00 -4.12 -0.04 0.00 -0.40 0.00 0.00 41.96 37.40 2yuq s TYR 66 CO 0.00 -1.33 -0.04 0.14 -1.57 0.00 0.00 175.55 172.76 2yuq s VAL 67 N 4.06 3.59 -0.21 0.71 -7.23 -0.75 -4.09 120.40 116.49 2yuq s VAL 67 Ca 0.34 -1.40 -0.29 0.00 -1.81 0.00 0.00 61.98 58.82 2yuq s VAL 67 Cb -0.11 -2.77 -0.03 0.00 0.56 0.00 0.00 36.38 34.03 2yuq s VAL 67 CO 0.22 -0.05 1.60 -2.16 -0.31 0.00 0.00 175.10 174.40 2yuq s PRO 68 N -2.74 3.85 0.43 4.82 0.04 -1.26 -0.99 135.00 139.15 2yuq s PRO 68 Ca 0.26 1.70 0.20 0.00 0.04 0.00 0.00 61.00 63.19 2yuq s PRO 68 Cb -0.10 -4.02 1.14 0.00 0.04 0.00 0.00 34.50 31.57 2yuq s PRO 68 CO 0.17 -1.23 1.85 0.66 0.04 0.00 0.00 177.00 178.48 2yuq h SER 69 N 10.51 0.36 -0.90 6.66 4.64 -1.44 -0.05 113.55 133.32 2yuq h SER 69 Ca -0.34 0.04 0.20 0.00 -0.47 0.00 0.00 61.79 61.22 2yuq h SER 69 Cb 1.15 -0.02 -0.11 0.00 -0.31 0.00 0.00 62.40 63.11 2yuq h SER 69 CO 1.00 0.13 0.45 0.77 -0.87 0.00 0.00 176.83 178.31 2yuq h SER 70 N 0.35 0.47 -0.17 4.97 4.64 -1.88 -0.79 113.55 121.14 2yuq h SER 70 Ca 0.48 0.13 -0.08 0.00 -0.47 0.00 0.00 61.79 61.85 2yuq h SER 70 Cb 1.30 0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 63.46 2yuq h SER 70 CO -0.17 0.10 -0.21 1.88 -0.87 0.00 0.00 176.83 177.56 2yuq h TYR 71 N 0.52 0.54 -3.72 4.77 -1.99 -1.37 -3.44 116.97 112.27 2yuq h TYR 71 Ca 0.54 -0.17 -0.52 0.00 2.00 0.00 0.00 58.73 60.58 2yuq h TYR 71 Cb 0.94 -0.11 0.04 0.00 2.00 0.00 0.00 36.73 39.61 2yuq h TYR 71 CO -0.10 0.84 0.60 -0.51 -0.00 0.00 0.00 178.16 178.99 2yuq s LEU 72 N -9.00 4.46 0.03 3.88 1.43 -0.30 -1.11 118.68 118.06 2yuq s LEU 72 Ca -0.14 2.50 0.04 0.00 -1.03 0.00 0.00 54.13 55.50 2yuq s LEU 72 Cb 0.06 -3.63 -0.02 0.00 0.03 0.00 0.00 46.19 42.63 2yuq s LEU 72 CO 0.78 -0.43 -0.12 0.68 0.23 0.00 0.00 176.35 177.48 2yuq s VAL 73 N -0.80 0.95 -0.35 -1.59 -7.23 0.33 -4.87 120.40 106.85 2yuq s VAL 73 Ca 0.50 -0.89 -0.29 0.00 -1.81 0.00 0.00 61.98 59.49 2yuq s VAL 73 Cb -0.37 -0.87 -0.01 0.00 0.56 0.00 0.00 36.38 35.70 2yuq s VAL 73 CO 0.46 -0.01 1.60 -0.70 -0.31 0.00 0.00 175.10 176.13 2yuq s GLU 74 N -1.02 3.51 -0.56 4.82 2.12 -1.26 -0.56 118.70 125.75 2yuq s GLU 74 Ca 0.00 1.24 -0.35 0.00 0.36 0.00 0.00 54.97 56.23 2yuq s GLU 74 Cb -0.07 -4.09 -0.15 0.00 0.26 0.00 0.00 34.13 30.07 2yuq s GLU 74 CO 0.01 -1.64 2.34 1.17 -0.54 0.00 0.00 175.26 176.60 2yuq n LYS 75 N 8.15 0.59 -1.63 4.30 3.00 -1.09 -4.84 118.16 126.64 2yuq n LYS 75 Ca 0.19 0.12 -0.40 0.00 -0.00 0.00 0.00 58.31 58.22 2yuq n LYS 75 Cb 0.47 -2.17 0.02 0.00 0.00 0.00 0.00 35.03 33.35 2yuq n LYS 75 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 2yuq n SER 76 N 10.41 1.37 -2.77 3.14 7.64 -1.26 -4.99 113.62 127.16 2yuq n SER 76 Ca 0.50 0.99 -0.07 0.00 1.01 0.00 0.00 58.87 61.29 2yuq n SER 76 Cb 0.17 -1.39 0.06 0.00 -1.01 0.00 0.00 64.21 62.04 2yuq n SER 76 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 2yuq n PRO 77 N -0.17 -1.56 -4.19 1.43 -0.04 -1.26 -5.04 135.00 124.17 2yuq n PRO 77 Ca 0.10 -0.44 -0.34 0.00 -0.04 0.00 0.00 63.50 62.78 2yuq n PRO 77 Cb 0.41 -0.41 -0.14 0.00 -0.04 0.00 0.00 33.50 33.32 2yuq n PRO 77 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2yuq s ASN 78 N -2.24 4.15 -0.03 3.54 0.01 -1.26 -5.10 114.94 114.00 2yuq s ASN 78 Ca 0.18 -0.38 -0.09 0.00 -0.71 0.00 0.00 52.86 51.86 2yuq s ASN 78 Cb -0.02 -1.68 0.01 0.00 0.41 0.00 0.00 41.25 39.97 2yuq s ASN 78 CO 0.14 0.04 0.19 0.54 -1.51 0.00 0.00 177.10 176.50 2yuq s ASN 79 N 1.08 -0.09 -1.49 -1.22 4.22 -1.26 -4.90 114.94 111.27 2yuq s ASN 79 Ca 0.01 0.06 -0.06 0.00 -2.14 0.00 0.00 52.86 50.73 2yuq s ASN 79 Cb -0.15 0.30 0.05 0.00 1.28 0.00 0.00 41.25 42.73 2yuq s ASN 79 CO -0.01 -0.28 0.56 -0.11 -2.04 0.00 0.00 177.10 175.22 2yuq n LEU 80 N 1.95 -2.13 -2.06 3.54 7.94 -1.26 -4.83 117.00 120.14 2yuq n LEU 80 Ca -0.19 -0.99 -0.24 0.00 -1.11 0.00 0.00 56.01 53.49 2yuq n LEU 80 Cb 0.57 -2.22 0.05 0.00 0.53 0.00 0.00 43.42 42.35 2yuq n LEU 80 CO 0.20 0.40 1.31 -1.84 -1.11 0.00 0.00 177.39 176.35 2yuq n GLU 81 N -4.42 2.14 -0.29 1.96 0.28 -1.26 -4.46 120.64 114.60 2yuq n GLU 81 Ca -0.18 -2.23 0.03 0.00 -0.16 0.00 0.00 57.16 54.62 2yuq n GLU 81 Cb 0.62 -1.87 0.15 0.00 1.43 0.00 0.00 31.44 31.77 2yuq n GLU 81 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 2yuq n THR 82 N -0.14 0.86 -5.21 3.84 -1.04 -1.26 -4.82 114.28 106.51 2yuq n THR 82 Ca 0.43 -0.50 -0.31 0.00 -2.04 0.00 0.00 64.05 61.63 2yuq n THR 82 Cb 0.61 -0.21 -0.16 0.00 -1.82 0.00 0.00 70.33 68.75 2yuq n THR 82 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 2yuq s TYR 83 N -1.67 2.34 -0.27 -1.42 2.02 -1.26 -5.11 117.35 111.98 2yuq s TYR 83 Ca 0.21 -0.70 0.00 0.00 -0.37 0.00 0.00 57.07 56.21 2yuq s TYR 83 Cb 0.14 -1.54 0.08 0.00 -0.40 0.00 0.00 41.96 40.24 2yuq s TYR 83 CO 0.09 -0.22 0.01 -1.21 -1.57 0.00 0.00 175.55 172.65 2yuq s GLU 84 N -0.12 1.24 0.00 -0.62 2.02 -1.26 -5.21 118.70 114.75 2yuq s GLU 84 Ca -0.04 -1.09 0.00 0.00 0.02 0.00 0.00 54.97 53.86 2yuq s GLU 84 Cb -0.14 -2.47 0.00 0.00 0.10 0.00 0.00 34.13 31.62 2yuq s GLU 84 CO 0.04 -0.76 0.26 -2.67 0.02 0.00 0.00 175.26 172.14