#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 -0.11 -0.13 1.61 1.04 -1.26 -5.08 113.70 109.78 2yuq s SER 2 Ca 0.00 -0.31 -0.15 0.00 0.48 0.00 0.00 55.95 55.97 2yuq s SER 2 Cb 0.00 0.34 -0.13 0.00 0.10 0.00 0.00 66.02 66.33 2yuq s SER 2 CO 0.00 -0.64 0.34 0.28 0.98 0.00 0.00 173.24 174.21 2yuq h SER 3 N 2.00 0.00 0.00 7.02 0.02 -2.14 -3.50 113.55 116.95 2yuq h SER 3 Ca -0.27 -0.48 0.00 0.00 -0.84 0.00 0.00 61.79 60.20 2yuq h SER 3 Cb 1.22 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.76 2yuq h SER 3 CO 0.28 0.81 0.00 0.61 -1.14 0.00 0.00 176.83 177.38 2yuq n GLY 4 N 1.67 0.71 2.93 -3.77 0.00 -1.26 -5.01 105.19 100.46 2yuq n GLY 4 Ca -0.07 -0.75 -0.52 0.00 0.00 0.00 0.00 46.02 44.68 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 0.68 -4.75 1.61 2.88 -1.26 -4.93 113.62 107.86 2yuq n SER 5 Ca 0.00 0.94 -0.24 0.00 -1.33 0.00 0.00 58.87 58.25 2yuq n SER 5 Cb 0.00 -0.71 -0.06 0.00 -0.75 0.00 0.00 64.21 62.68 2yuq n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2yuq s SER 6 N 1.70 4.59 0.00 -3.46 0.15 -1.26 -5.11 113.70 110.31 2yuq s SER 6 Ca 0.80 -0.91 0.00 0.00 0.70 0.00 0.00 55.95 56.54 2yuq s SER 6 Cb -1.14 -0.59 0.00 0.00 -1.71 0.00 0.00 66.02 62.58 2yuq s SER 6 CO 0.60 -0.45 0.00 0.61 1.20 0.00 0.00 173.24 175.20 2yuq n GLY 7 N -1.23 4.53 2.81 9.45 0.00 -1.26 -5.11 105.19 114.39 2yuq n GLY 7 Ca -0.01 -0.79 -0.22 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 -4.39 0.72 -0.90 1.61 8.01 -1.26 -5.00 118.70 117.49 2yuq s GLU 8 Ca 0.00 0.03 -0.25 0.00 0.01 0.00 0.00 54.97 54.76 2yuq s GLU 8 Cb 0.00 -0.97 -0.07 0.00 -4.31 0.00 0.00 34.13 28.78 2yuq s GLU 8 CO 0.00 -0.24 2.04 0.16 0.01 0.00 0.00 175.26 177.23 2yuq s ASP 9 N 1.68 4.85 -1.09 -0.19 -4.77 -1.26 -4.86 116.67 111.02 2yuq s ASP 9 Ca 0.01 -0.59 -0.24 0.00 -3.30 0.00 0.00 52.55 48.43 2yuq s ASP 9 Cb -0.13 -2.56 -0.11 0.00 -1.09 0.00 0.00 42.92 39.03 2yuq s ASP 9 CO -0.04 -3.03 2.00 0.21 0.70 0.00 0.00 175.17 175.00 2yuq s ASN 10 N 8.54 4.68 0.08 2.11 3.84 -1.26 -4.89 114.94 128.03 2yuq s ASN 10 Ca 0.75 -1.25 0.09 0.00 0.21 0.00 0.00 52.86 52.65 2yuq s ASN 10 Cb -0.08 -2.58 -0.03 0.00 -0.55 0.00 0.00 41.25 38.01 2yuq s ASN 10 CO 0.02 -3.39 -0.24 -0.13 -2.79 0.00 0.00 177.10 170.57 2yuq s ARG 11 N 7.08 1.46 -0.07 0.43 1.81 -1.26 -5.14 118.95 123.28 2yuq s ARG 11 Ca 0.73 -1.14 -0.11 0.00 -1.72 0.00 0.00 55.73 53.48 2yuq s ARG 11 Cb -0.03 -1.73 -0.05 0.00 -0.45 0.00 0.00 34.95 32.69 2yuq s ARG 11 CO 0.11 0.43 0.27 0.50 -0.68 0.00 0.00 175.30 175.93 2yuq s ARG 12 N -1.57 3.69 0.67 3.54 3.52 -1.26 -5.08 118.95 122.45 2yuq s ARG 12 Ca 0.10 0.13 -0.14 0.00 -0.13 0.00 0.00 55.73 55.69 2yuq s ARG 12 Cb -0.10 -3.21 0.01 0.00 -1.56 0.00 0.00 34.95 30.09 2yuq s ARG 12 CO 0.03 0.72 1.11 -1.25 -0.81 0.00 0.00 175.30 175.11 2yuq s PRO 13 N -1.01 2.74 0.31 5.12 0.04 -1.26 -4.95 135.00 135.99 2yuq s PRO 13 Ca 0.19 1.37 0.01 0.00 0.04 0.00 0.00 61.00 62.61 2yuq s PRO 13 Cb -0.14 -1.94 0.49 0.00 0.04 0.00 0.00 34.50 32.94 2yuq s PRO 13 CO 0.08 -1.29 1.86 -0.07 0.04 0.00 0.00 177.00 177.63 2yuq h LEU 14 N -0.09 0.69-10.11 -3.56 4.07 -2.07 -3.44 115.31 100.80 2yuq h LEU 14 Ca -0.46 -0.11 -0.55 0.00 0.08 0.00 0.00 57.88 56.83 2yuq h LEU 14 Cb 1.24 -0.18 -0.06 0.00 1.08 0.00 0.00 40.66 42.75 2yuq h LEU 14 CO 0.54 0.67 -0.41 0.26 -1.08 0.00 0.00 178.44 178.42 2yuq s TRP 15 N -5.21 2.35 0.36 1.13 0.52 -1.26 -5.11 118.94 111.71 2yuq s TRP 15 Ca -0.09 -0.64 -0.25 0.00 0.02 0.00 0.00 56.10 55.14 2yuq s TRP 15 Cb 0.16 -2.00 -0.09 0.00 -1.15 0.00 0.00 33.47 30.38 2yuq s TRP 15 CO 0.79 -0.08 1.01 -1.21 0.02 0.00 0.00 176.95 177.48 2yuq s GLU 16 N -4.07 4.37 0.22 4.98 2.02 -1.26 -4.97 118.70 119.99 2yuq s GLU 16 Ca 0.40 1.46 -0.02 0.00 0.02 0.00 0.00 54.97 56.84 2yuq s GLU 16 Cb 0.00 -2.70 0.19 0.00 0.10 0.00 0.00 34.13 31.73 2yuq s GLU 16 CO 0.23 0.06 1.58 -1.00 0.02 0.00 0.00 175.26 176.14 2yuq h PRO 17 N 2.87 0.56 0.00 0.39 0.13 -1.99 -2.79 132.00 131.17 2yuq h PRO 17 Ca -0.48 -0.30 0.00 0.00 -0.87 0.00 0.00 66.00 64.36 2yuq h PRO 17 Cb 1.20 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2yuq h PRO 17 CO 0.64 0.89 0.00 -0.85 -0.23 0.00 0.00 178.00 178.45 2yuq n GLU 18 N -4.02 0.15 -3.08 0.86 0.00 -1.26 -4.78 120.64 108.51 2yuq n GLU 18 Ca -0.02 0.24 -0.35 0.00 0.00 0.00 0.00 57.16 57.02 2yuq n GLU 18 Cb 0.53 -1.72 -0.06 0.00 0.00 0.00 0.00 31.44 30.19 2yuq n GLU 18 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.13 175.92 2yuq s GLU 19 N -3.13 4.22 -0.69 3.44 0.41 -1.05 -5.01 118.70 116.89 2yuq s GLU 19 Ca 0.09 0.86 -0.25 0.00 -0.41 0.00 0.00 54.97 55.26 2yuq s GLU 19 Cb 0.12 -2.78 0.05 0.00 -1.78 0.00 0.00 34.13 29.74 2yuq s GLU 19 CO 0.48 0.34 1.12 0.99 -0.49 0.00 0.00 175.26 177.70 2yuq s THR 20 N -1.63 4.02 -0.06 3.63 2.01 -1.26 -4.88 115.64 117.47 2yuq s THR 20 Ca 0.46 0.12 -0.19 0.00 0.31 0.00 0.00 61.69 62.38 2yuq s THR 20 Cb -0.15 -4.79 -0.05 0.00 0.01 0.00 0.00 72.50 67.52 2yuq s THR 20 CO 0.20 -1.62 0.55 -0.69 -0.69 0.00 0.00 174.62 172.37 2yuq s VAL 21 N 4.90 5.05 0.03 3.82 1.01 -1.26 -1.72 120.40 132.24 2yuq s VAL 21 Ca 0.30 1.12 0.06 0.00 0.00 0.00 0.00 61.98 63.46 2yuq s VAL 21 Cb -0.12 -3.88 -0.02 0.00 0.00 0.00 0.00 36.38 32.36 2yuq s VAL 21 CO 0.14 0.37 -0.18 0.68 0.00 0.00 0.00 175.10 176.11 2yuq s VAL 22 N 0.22 1.46 0.02 2.92 -7.23 0.14 -2.55 120.40 115.39 2yuq s VAL 22 Ca 0.29 -1.08 0.05 0.00 -1.81 0.00 0.00 61.98 59.44 2yuq s VAL 22 Cb -0.17 -1.28 -0.03 0.00 0.56 0.00 0.00 36.38 35.46 2yuq s VAL 22 CO 0.14 0.17 -0.12 -0.63 -0.31 0.00 0.00 175.10 174.35 2yuq s ILE 23 N -0.76 3.21 -0.12 -0.62 1.01 -0.17 0.11 121.20 123.86 2yuq s ILE 23 Ca 0.06 -0.99 -0.21 0.00 0.00 0.00 0.00 60.65 59.51 2yuq s ILE 23 Cb -0.08 -2.38 -0.04 0.00 0.01 0.00 0.00 42.46 39.97 2yuq s ILE 23 CO 0.01 0.36 0.59 0.00 0.00 0.00 0.00 174.94 175.90 2yuq s ALA 24 N -0.97 3.44 0.19 9.38 0.00 -1.04 -0.26 121.76 132.51 2yuq s ALA 24 Ca 0.16 -0.10 -0.03 0.00 0.00 0.00 0.00 51.96 51.98 2yuq s ALA 24 Cb -0.11 -2.83 0.10 0.00 0.00 0.00 0.00 23.12 20.28 2yuq s ALA 24 CO 0.07 -0.17 1.49 -0.07 0.00 0.00 0.00 175.76 177.08 2yuq h LEU 25 N 7.09 0.62 -9.62 0.00 3.38 -1.22 -2.68 115.31 112.89 2yuq h LEU 25 Ca -0.39 -0.34 -0.59 0.00 0.09 0.00 0.00 57.88 56.65 2yuq h LEU 25 Cb 1.18 -0.18 -0.13 0.00 0.09 0.00 0.00 40.66 41.62 2yuq h LEU 25 CO 0.76 1.06 -0.53 -0.31 0.09 0.00 0.00 178.44 179.51 2yuq s TYR 26 N -3.97 1.85 -0.44 1.13 1.51 -1.26 -4.65 117.35 111.52 2yuq s TYR 26 Ca -0.07 -1.13 -0.17 0.00 -1.01 0.00 0.00 57.07 54.68 2yuq s TYR 26 Cb 0.11 -1.33 0.04 0.00 -0.11 0.00 0.00 41.96 40.66 2yuq s TYR 26 CO 0.84 -0.08 0.47 0.16 -1.11 0.00 0.00 175.55 175.83 2yuq s ASP 27 N -3.69 6.20 0.01 2.29 -4.77 -1.26 -3.43 116.67 112.02 2yuq s ASP 27 Ca 0.20 -0.81 -0.17 0.00 -3.30 0.00 0.00 52.55 48.47 2yuq s ASP 27 Cb 0.03 -2.23 -0.06 0.00 -1.09 0.00 0.00 42.92 39.57 2yuq s ASP 27 CO 0.11 -0.65 0.48 -0.47 0.70 0.00 0.00 175.17 175.34 2yuq s TYR 28 N 2.17 3.73 -0.01 2.11 5.04 -1.23 -4.92 117.35 124.23 2yuq s TYR 28 Ca 0.12 1.08 0.04 0.00 -2.44 0.00 0.00 57.07 55.87 2yuq s TYR 28 Cb -0.18 -2.40 -0.01 0.00 0.35 0.00 0.00 41.96 39.71 2yuq s TYR 28 CO 0.12 0.55 -0.15 -0.65 -1.34 0.00 0.00 175.55 174.09 2yuq s GLN 29 N -0.84 1.18 0.00 4.97 -0.21 -1.26 -2.70 119.66 120.80 2yuq s GLN 29 Ca 0.26 -0.52 -0.22 0.00 0.02 0.00 0.00 55.36 54.90 2yuq s GLN 29 Cb -0.17 -1.14 0.05 0.00 1.00 0.00 0.00 33.01 32.74 2yuq s GLN 29 CO 0.15 0.31 0.49 -0.08 -2.12 0.00 0.00 175.29 174.05 2yuq s THR 30 N -0.34 0.03 -0.23 -0.19 -1.32 -1.26 -5.02 115.64 107.31 2yuq s THR 30 Ca 0.06 -0.27 0.11 0.00 -1.21 0.00 0.00 61.69 60.38 2yuq s THR 30 Cb -0.06 -0.88 0.44 0.00 -1.51 0.00 0.00 72.50 70.49 2yuq s THR 30 CO -0.01 -0.15 1.28 0.59 -2.21 0.00 0.00 174.62 174.13 2yuq n ASN 31 N 0.81 1.94 -4.46 8.08 3.02 -1.26 -4.84 115.26 118.54 2yuq n ASN 31 Ca -0.19 -3.84 -0.31 0.00 -0.03 0.00 0.00 54.58 50.21 2yuq n ASN 31 Cb 0.58 -0.55 -0.13 0.00 -0.61 0.00 0.00 39.78 39.07 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 -3.05 3.85 0.36 6.41 1.11 -1.26 -5.03 116.67 119.07 2yuq s ASP 32 Ca 0.39 -0.37 0.15 0.00 0.18 0.00 0.00 52.55 52.90 2yuq s ASP 32 Cb 0.37 -0.66 0.69 0.00 1.07 0.00 0.00 42.92 44.39 2yuq s ASP 32 CO -0.05 0.27 1.77 1.55 1.18 0.00 0.00 175.17 179.90 2yuq h PRO 33 N 4.71 0.00 0.11 8.23 0.13 -1.97 -3.08 132.00 140.12 2yuq h PRO 33 Ca -0.47 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.39 2yuq h PRO 33 Cb 1.15 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.29 2yuq h PRO 33 CO 0.48 0.41 -1.18 -0.56 -0.23 0.00 0.00 178.00 176.92 2yuq h GLN 34 N 0.00 0.38 -6.15 0.86 3.07 -1.96 -3.45 115.11 107.86 2yuq h GLN 34 Ca -0.00 -0.55 -0.59 0.00 0.09 0.00 0.00 58.65 57.60 2yuq h GLN 34 Cb 0.80 0.19 -0.05 0.00 0.08 0.00 0.00 27.48 28.51 2yuq h GLN 34 CO 0.05 1.23 -0.11 -1.21 0.09 0.00 0.00 178.83 178.88 2yuq s GLU 35 N -2.86 4.06 0.06 0.06 2.02 -1.16 -1.46 118.70 119.42 2yuq s GLU 35 Ca -0.06 0.58 0.01 0.00 0.02 0.00 0.00 54.97 55.52 2yuq s GLU 35 Cb 0.07 -3.20 -0.04 0.00 0.10 0.00 0.00 34.13 31.06 2yuq s GLU 35 CO 0.89 0.65 0.18 -1.17 0.02 0.00 0.00 175.26 175.83 2yuq s LEU 36 N -1.19 4.24 -0.25 1.80 2.96 -1.23 -4.54 118.68 120.48 2yuq s LEU 36 Ca 0.28 0.21 -0.12 0.00 -0.22 0.00 0.00 54.13 54.28 2yuq s LEU 36 Cb -0.18 -2.85 -0.05 0.00 0.50 0.00 0.00 46.19 43.61 2yuq s LEU 36 CO 0.17 0.17 0.22 0.00 -1.32 0.00 0.00 176.35 175.59 2yuq s ALA 37 N -1.48 3.57 0.74 5.97 0.00 -1.26 -4.76 121.76 124.54 2yuq s ALA 37 Ca 0.34 -0.91 -0.02 0.00 0.00 0.00 0.00 51.96 51.37 2yuq s ALA 37 Cb -0.13 -2.45 0.14 0.00 0.00 0.00 0.00 23.12 20.68 2yuq s ALA 37 CO 0.27 -0.37 1.02 -0.51 0.00 0.00 0.00 175.76 176.17 2yuq s LEU 38 N 1.41 2.95 -0.00 0.00 1.43 -1.10 -4.96 118.68 118.41 2yuq s LEU 38 Ca 0.09 -0.36 0.00 0.00 -1.03 0.00 0.00 54.13 52.83 2yuq s LEU 38 Cb -0.15 -1.93 0.00 0.00 0.03 0.00 0.00 46.19 44.15 2yuq s LEU 38 CO 0.07 -1.95 -0.00 -0.60 0.23 0.00 0.00 176.35 174.10 2yuq s ARG 39 N -5.20 0.07 -0.00 1.70 6.06 -1.26 -3.53 118.95 116.79 2yuq s ARG 39 Ca 0.67 -0.00 -0.30 0.00 -2.50 0.00 0.00 55.73 53.60 2yuq s ARG 39 Cb -0.05 -0.10 -0.07 0.00 0.06 0.00 0.00 34.95 34.79 2yuq s ARG 39 CO 0.45 -0.01 1.64 0.50 -2.50 0.00 0.00 175.30 175.38 2yuq s ARG 40 N 0.13 4.20 -0.45 5.12 3.52 -1.22 -2.80 118.95 127.44 2yuq s ARG 40 Ca -0.01 2.23 -0.01 0.00 -0.13 0.00 0.00 55.73 57.81 2yuq s ARG 40 Cb -0.02 -3.81 0.00 0.00 -1.56 0.00 0.00 34.95 29.56 2yuq s ARG 40 CO -0.00 -0.78 0.38 0.09 -0.81 0.00 0.00 175.30 174.18 2yuq n ASN 41 N 6.40 -2.44 -3.88 -2.12 3.02 -1.01 -4.97 115.26 110.26 2yuq n ASN 41 Ca 0.16 -0.22 -0.12 0.00 -0.03 0.00 0.00 54.58 54.38 2yuq n ASN 41 Cb 0.42 -2.17 -0.14 0.00 -0.61 0.00 0.00 39.78 37.28 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 -4.76 0.03 0.39 3.52 0.41 -1.12 -5.00 118.70 112.17 2yuq s GLU 42 Ca 0.06 -0.05 -0.13 0.00 -0.41 0.00 0.00 54.97 54.44 2yuq s GLU 42 Cb -0.03 0.01 -0.08 0.00 -1.78 0.00 0.00 34.13 32.26 2yuq s GLU 42 CO 0.26 -0.01 0.79 -1.21 -0.49 0.00 0.00 175.26 174.61 2yuq s GLU 43 N -0.12 3.89 -0.17 1.61 2.02 -1.26 -2.49 118.70 122.18 2yuq s GLU 43 Ca -0.01 0.62 -0.09 0.00 0.02 0.00 0.00 54.97 55.52 2yuq s GLU 43 Cb -0.01 -2.36 0.06 0.00 0.10 0.00 0.00 34.13 31.92 2yuq s GLU 43 CO -0.00 -0.00 0.40 0.71 0.02 0.00 0.00 175.26 176.39 2yuq s TYR 44 N -2.27 -0.63 0.23 1.61 1.51 0.31 -4.68 117.35 113.42 2yuq s TYR 44 Ca 0.54 1.32 -0.30 0.00 -1.01 0.00 0.00 57.07 57.61 2yuq s TYR 44 Cb -0.10 0.26 -0.09 0.00 -0.11 0.00 0.00 41.96 41.92 2yuq s TYR 44 CO 0.26 -0.37 1.15 0.00 -1.11 0.00 0.00 175.55 175.48 2yuq s LEU 46 N -0.78 4.25 -0.00 0.00 2.96 -0.70 -2.46 118.68 121.96 2yuq s LEU 46 Ca 0.49 -0.22 -0.02 0.00 -0.22 0.00 0.00 54.13 54.17 2yuq s LEU 46 Cb -0.32 -2.91 -0.01 0.00 0.50 0.00 0.00 46.19 43.45 2yuq s LEU 46 CO 0.39 -1.00 0.58 -0.07 -1.32 0.00 0.00 176.35 174.93 2yuq h LEU 47 N 10.34 -0.05 -8.79 -0.68 3.38 -0.72 -3.45 115.31 115.35 2yuq h LEU 47 Ca -0.25 0.00 -0.39 0.00 0.09 0.00 0.00 57.88 57.33 2yuq h LEU 47 Cb 1.08 0.01 -0.14 0.00 0.09 0.00 0.00 40.66 41.70 2yuq h LEU 47 CO 1.00 -0.02 -0.72 -0.62 0.09 0.00 0.00 178.44 178.17 2yuq s ASP 48 N -2.62 2.15 -0.19 -0.43 -1.08 -0.97 -5.03 116.67 108.50 2yuq s ASP 48 Ca -0.01 -1.04 0.16 0.00 -0.52 0.00 0.00 52.55 51.14 2yuq s ASP 48 Cb 0.00 -0.07 0.45 0.00 -1.46 0.00 0.00 42.92 41.84 2yuq s ASP 48 CO 0.03 -0.28 1.18 -1.54 0.52 0.00 0.00 175.17 175.07 2yuq n SER 49 N -0.30 2.29 -0.29 -0.34 3.41 -1.26 -2.44 113.62 114.68 2yuq n SER 49 Ca -0.09 -3.07 0.12 0.00 -0.26 0.00 0.00 58.87 55.58 2yuq n SER 49 Cb 0.61 -0.42 0.28 0.00 -0.26 0.00 0.00 64.21 64.42 2yuq n SER 49 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2yuq h SER 50 N 1.57 0.13 -5.45 4.04 4.64 -1.97 -3.42 113.55 113.09 2yuq h SER 50 Ca 0.01 0.17 -0.42 0.00 -0.47 0.00 0.00 61.79 61.08 2yuq h SER 50 Cb 1.40 0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 63.67 2yuq h SER 50 CO 0.24 -0.08 -0.16 -0.62 -0.87 0.00 0.00 176.83 175.34 2yuq n GLU 51 N -5.14 0.83 -0.03 4.77 1.02 -1.26 -5.09 120.64 115.73 2yuq n GLU 51 Ca 0.20 -2.53 -0.08 0.00 -0.02 0.00 0.00 57.16 54.73 2yuq n GLU 51 Cb 0.64 0.15 -0.03 0.00 -0.02 0.00 0.00 31.44 32.18 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 -1.60 1.09 -0.06 -3.67 5.41 -1.26 -4.72 119.36 114.54 2yuq n ILE 52 Ca 0.02 0.10 -0.09 0.00 1.00 0.00 0.00 62.75 63.78 2yuq n ILE 52 Cb 0.47 -1.83 0.07 0.00 -0.71 0.00 0.00 39.64 37.64 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 0.85 -3.71 1.39 3.86 -1.99 -3.40 115.15 111.70 2yuq h HIS 53 Ca -0.13 -0.23 -0.69 0.00 -1.16 0.00 0.00 60.37 58.16 2yuq h HIS 53 Cb 0.80 -0.19 -0.33 0.00 1.06 0.00 0.00 27.41 28.75 2yuq h HIS 53 CO -0.13 0.96 -0.67 -1.58 0.86 0.00 0.00 177.93 177.37 2yuq s TRP 54 N -4.40 3.34 0.20 2.45 0.52 -1.26 -0.21 118.94 119.57 2yuq s TRP 54 Ca -0.09 -1.97 0.05 0.00 0.02 0.00 0.00 56.10 54.12 2yuq s TRP 54 Cb 0.12 -2.36 -0.04 0.00 -1.15 0.00 0.00 33.47 30.05 2yuq s TRP 54 CO 0.84 -0.83 0.21 -1.58 0.02 0.00 0.00 176.95 175.61 2yuq s TRP 55 N 1.23 3.23 -0.27 -1.98 0.52 -0.58 -4.07 118.94 117.02 2yuq s TRP 55 Ca -0.02 -0.03 -0.09 0.00 0.02 0.00 0.00 56.10 55.98 2yuq s TRP 55 Cb -0.20 -1.51 -0.03 0.00 -1.15 0.00 0.00 33.47 30.58 2yuq s TRP 55 CO -0.02 0.51 0.12 0.50 0.02 0.00 0.00 176.95 178.09 2yuq s ARG 56 N -3.50 3.69 0.41 4.98 3.52 -1.02 -2.11 118.95 124.92 2yuq s ARG 56 Ca 0.33 -0.48 0.04 0.00 -0.13 0.00 0.00 55.73 55.49 2yuq s ARG 56 Cb -0.09 -3.48 -0.02 0.00 -1.56 0.00 0.00 34.95 29.79 2yuq s ARG 56 CO 0.26 -0.23 0.12 0.14 -0.81 0.00 0.00 175.30 174.77 2yuq s VAL 57 N 1.66 0.65 -0.16 7.11 -7.23 -1.22 0.02 120.40 121.23 2yuq s VAL 57 Ca 0.06 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.21 2yuq s VAL 57 Cb -0.16 -2.35 0.05 0.00 0.56 0.00 0.00 36.38 34.48 2yuq s VAL 57 CO 0.06 0.00 0.03 -1.58 -0.31 0.00 0.00 175.10 173.30 2yuq s GLN 58 N -3.72 0.61 0.60 4.82 0.74 -1.03 -3.22 119.66 118.46 2yuq s GLN 58 Ca 0.23 -0.27 -0.19 0.00 0.05 0.00 0.00 55.36 55.18 2yuq s GLN 58 Cb 0.03 -1.81 -0.03 0.00 1.10 0.00 0.00 33.01 32.30 2yuq s GLN 58 CO 0.14 -0.55 1.24 -0.25 -0.55 0.00 0.00 175.29 175.32 2yuq n ASP 59 N 5.09 1.99 0.29 6.67 8.00 -0.58 -4.07 116.55 133.95 2yuq n ASP 59 Ca -0.08 0.88 0.10 0.00 0.71 0.00 0.00 54.79 56.39 2yuq n ASP 59 Cb 0.48 -1.53 0.53 0.00 -0.02 0.00 0.00 41.12 40.58 2yuq n ASP 59 CO 0.00 0.00 0.00 0.08 -0.39 0.00 0.00 177.20 176.89 2yuq h ARG 60 N 0.83 0.00 0.01 -1.24 -0.00 -1.91 0.11 114.38 112.17 2yuq h ARG 60 Ca -0.50 0.00 -0.02 0.00 -0.00 0.00 0.00 59.98 59.46 2yuq h ARG 60 Cb 1.33 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.31 2yuq h ARG 60 CO 0.54 0.00 -0.09 -0.91 -0.00 0.00 0.00 179.97 179.51 2yuq h ASN 61 N 0.00 0.06 0.00 0.08 2.35 -1.99 -3.48 115.58 112.59 2yuq h ASN 61 Ca 0.00 -0.93 0.00 0.00 -0.55 0.00 0.00 56.30 54.82 2yuq h ASN 61 Cb 0.95 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 39.30 2yuq h ASN 61 CO 0.00 0.99 0.00 0.61 -1.65 0.00 0.00 177.43 177.38 2yuq n GLY 62 N 1.45 0.45 3.16 2.83 0.00 0.37 -5.14 105.19 108.30 2yuq n GLY 62 Ca -0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.45 2.71 0.40 1.61 3.76 -1.25 -4.91 115.29 117.16 2yuq s HIS 63 Ca 0.00 -1.42 0.08 0.00 -0.15 0.00 0.00 55.06 53.57 2yuq s HIS 63 Cb 0.00 -1.85 -0.02 0.00 1.11 0.00 0.00 32.58 31.82 2yuq s HIS 63 CO 0.00 -0.66 0.39 -1.21 -0.85 0.00 0.00 174.74 172.40 2yuq s GLU 64 N 0.96 2.61 0.00 1.40 2.02 -1.26 -1.52 118.70 122.91 2yuq s GLU 64 Ca -0.03 -1.46 0.00 0.00 0.02 0.00 0.00 54.97 53.50 2yuq s GLU 64 Cb -0.15 -2.44 0.00 0.00 0.10 0.00 0.00 34.13 31.64 2yuq s GLU 64 CO -0.05 -0.15 0.00 0.41 0.02 0.00 0.00 175.26 175.49 2yuq n GLY 65 N -1.55 -0.92 3.47 -1.39 0.00 -1.20 -4.46 105.19 99.14 2yuq n GLY 65 Ca 0.03 -0.97 -0.35 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 3.08 0.11 1.61 2.02 -0.53 -3.43 117.35 117.21 2yuq s TYR 66 Ca 0.00 -0.37 0.05 0.00 -0.37 0.00 0.00 57.07 56.39 2yuq s TYR 66 Cb 0.00 -2.13 -0.04 0.00 -0.40 0.00 0.00 41.96 39.39 2yuq s TYR 66 CO 0.00 -0.22 -0.13 0.14 -1.57 0.00 0.00 175.55 173.78 2yuq s VAL 67 N 1.09 1.17 -0.36 0.71 -7.23 -0.90 -3.47 120.40 111.43 2yuq s VAL 67 Ca 0.03 -1.64 -0.28 0.00 -1.81 0.00 0.00 61.98 58.28 2yuq s VAL 67 Cb -0.14 -1.41 -0.01 0.00 0.56 0.00 0.00 36.38 35.37 2yuq s VAL 67 CO 0.02 -0.44 1.71 -2.16 -0.31 0.00 0.00 175.10 173.92 2yuq s PRO 68 N -2.59 3.37 0.47 4.82 0.04 -1.25 -1.53 135.00 138.33 2yuq s PRO 68 Ca 0.06 1.28 0.34 0.00 0.04 0.00 0.00 61.00 62.72 2yuq s PRO 68 Cb -0.05 -4.16 1.47 0.00 0.04 0.00 0.00 34.50 31.80 2yuq s PRO 68 CO 0.02 -1.81 1.66 0.66 0.04 0.00 0.00 177.00 177.57 2yuq h SER 69 N 12.40 0.18 -0.70 6.66 4.64 -0.80 0.58 113.55 136.51 2yuq h SER 69 Ca -0.32 0.08 0.13 0.00 -0.47 0.00 0.00 61.79 61.21 2yuq h SER 69 Cb 1.15 0.06 -0.13 0.00 -0.31 0.00 0.00 62.40 63.18 2yuq h SER 69 CO 1.05 -0.08 -0.29 -1.28 -0.87 0.00 0.00 176.83 175.36 2yuq h SER 70 N 0.09 -1.03 -0.50 4.97 0.87 -1.89 0.74 113.55 116.80 2yuq h SER 70 Ca 0.77 0.24 -0.00 0.00 -1.23 0.00 0.00 61.79 61.57 2yuq h SER 70 Cb 2.63 0.56 -0.02 0.00 -0.44 0.00 0.00 62.40 65.13 2yuq h SER 70 CO -0.25 -0.28 0.29 1.88 -0.53 0.00 0.00 176.83 177.94 2yuq h TYR 71 N -0.08 0.66 -4.11 2.24 -1.99 -1.24 -3.44 116.97 109.01 2yuq h TYR 71 Ca 0.29 -0.01 -0.53 0.00 2.00 0.00 0.00 58.73 60.49 2yuq h TYR 71 Cb 0.56 -0.22 0.12 0.00 2.00 0.00 0.00 36.73 39.19 2yuq h TYR 71 CO -0.66 0.47 0.46 -0.51 -0.00 0.00 0.00 178.16 177.92 2yuq s LEU 72 N -10.03 3.62 -0.13 3.88 1.43 0.25 -0.69 118.68 117.01 2yuq s LEU 72 Ca -0.13 2.36 -0.08 0.00 -1.03 0.00 0.00 54.13 55.25 2yuq s LEU 72 Cb 0.12 -4.59 0.05 0.00 0.03 0.00 0.00 46.19 41.79 2yuq s LEU 72 CO 0.75 -1.65 0.31 0.68 0.23 0.00 0.00 176.35 176.68 2yuq s VAL 73 N -1.68 -0.03 -0.26 -1.59 -7.23 0.64 -4.86 120.40 105.39 2yuq s VAL 73 Ca 0.76 0.10 -0.29 0.00 -1.81 0.00 0.00 61.98 60.75 2yuq s VAL 73 Cb -0.29 -0.47 -0.03 0.00 0.56 0.00 0.00 36.38 36.15 2yuq s VAL 73 CO 0.34 0.04 1.80 -0.70 -0.31 0.00 0.00 175.10 176.28 2yuq s GLU 74 N 1.11 3.49 -0.29 4.82 2.12 -1.26 -1.00 118.70 127.69 2yuq s GLU 74 Ca -0.08 1.63 -0.41 0.00 0.36 0.00 0.00 54.97 56.48 2yuq s GLU 74 Cb -0.08 -4.17 -0.16 0.00 0.26 0.00 0.00 34.13 29.98 2yuq s GLU 74 CO -0.08 -1.67 1.71 1.17 -0.54 0.00 0.00 175.26 175.85 2yuq n LYS 75 N 8.19 1.02 -1.58 4.30 3.00 -1.06 -4.84 118.16 127.20 2yuq n LYS 75 Ca 0.22 0.37 -0.41 0.00 -0.00 0.00 0.00 58.31 58.49 2yuq n LYS 75 Cb 0.46 -2.03 0.01 0.00 0.00 0.00 0.00 35.03 33.46 2yuq n LYS 75 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 2yuq n SER 76 N 5.12 0.85 0.20 3.14 3.41 -1.26 -4.88 113.62 120.21 2yuq n SER 76 Ca 0.27 1.01 0.07 0.00 -0.26 0.00 0.00 58.87 59.95 2yuq n SER 76 Cb 0.11 -1.31 0.42 0.00 -0.26 0.00 0.00 64.21 63.18 2yuq n SER 76 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 2yuq h PRO 77 N 1.38 0.00 -5.41 4.33 0.13 -2.04 -3.43 132.00 126.97 2yuq h PRO 77 Ca -0.44 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.07 2yuq h PRO 77 Cb 1.35 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.37 2yuq h PRO 77 CO 0.56 0.32 -0.50 1.21 -0.23 0.00 0.00 178.00 179.35 2yuq s ASN 78 N -6.46 6.16 -0.10 1.44 3.84 -1.26 -5.09 114.94 113.46 2yuq s ASN 78 Ca -0.01 0.28 -0.01 0.00 0.21 0.00 0.00 52.86 53.33 2yuq s ASN 78 Cb 0.12 -2.05 -0.03 0.00 -0.55 0.00 0.00 41.25 38.74 2yuq s ASN 78 CO 0.67 0.26 -0.03 0.21 -2.79 0.00 0.00 177.10 175.42 2yuq s ASN 79 N -0.12 4.95 0.45 -4.21 2.47 -1.26 -5.12 114.94 112.10 2yuq s ASN 79 Ca 0.10 0.03 0.06 0.00 0.42 0.00 0.00 52.86 53.46 2yuq s ASN 79 Cb -0.11 -1.45 -0.04 0.00 -1.45 0.00 0.00 41.25 38.20 2yuq s ASN 79 CO 0.00 0.32 0.17 -0.76 -3.72 0.00 0.00 177.10 173.11 2yuq s LEU 80 N -0.55 2.91 -1.33 3.21 1.43 -1.26 -4.74 118.68 118.35 2yuq s LEU 80 Ca 0.09 -1.22 -0.07 0.00 -1.03 0.00 0.00 54.13 51.90 2yuq s LEU 80 Cb -0.12 -1.24 0.01 0.00 0.03 0.00 0.00 46.19 44.88 2yuq s LEU 80 CO 0.02 -0.66 1.11 1.21 0.23 0.00 0.00 176.35 178.26 2yuq n GLU 81 N -1.29 -7.37 -1.60 1.70 2.13 -1.26 -4.91 120.64 108.03 2yuq n GLU 81 Ca -0.04 0.81 -0.40 0.00 0.66 0.00 0.00 57.16 58.19 2yuq n GLU 81 Cb 0.65 -5.83 0.03 0.00 0.27 0.00 0.00 31.44 26.56 2yuq n GLU 81 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 2yuq n THR 82 N -4.75 2.90 -3.58 6.31 -1.04 -1.26 -4.95 114.28 107.91 2yuq n THR 82 Ca -0.07 -0.50 -0.40 0.00 -2.04 0.00 0.00 64.05 61.03 2yuq n THR 82 Cb 0.59 -1.13 -0.08 0.00 -1.82 0.00 0.00 70.33 67.89 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 -1.41 3.49 -0.41 -1.42 2.02 -1.26 -5.01 117.35 113.36 2yuq s TYR 83 Ca 0.68 -2.20 0.02 0.00 -0.37 0.00 0.00 57.07 55.21 2yuq s TYR 83 Cb -0.49 -3.45 0.12 0.00 -0.40 0.00 0.00 41.96 37.74 2yuq s TYR 83 CO 0.53 -0.94 0.17 -2.00 -1.57 0.00 0.00 175.55 171.74 2yuq s GLU 84 N 0.67 1.37 0.00 -0.62 -6.30 -1.26 -4.76 118.70 107.80 2yuq s GLU 84 Ca 0.12 -1.93 0.00 0.00 -2.50 0.00 0.00 54.97 50.66 2yuq s GLU 84 Cb -0.21 -2.67 0.00 0.00 0.00 0.00 0.00 34.13 31.24 2yuq s GLU 84 CO -0.03 -1.07 0.00 1.87 0.02 0.00 0.00 175.26 176.05