#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 6.94 -0.14 1.61 0.15 -1.26 -4.97 113.70 116.03 2yuq s SER 2 Ca 0.00 1.15 -0.24 0.00 0.70 0.00 0.00 55.95 57.56 2yuq s SER 2 Cb 0.00 -2.43 -0.22 0.00 -1.71 0.00 0.00 66.02 61.67 2yuq s SER 2 CO 0.00 -0.26 0.59 -1.28 1.20 0.00 0.00 173.24 173.48 2yuq h SER 3 N 7.11 0.00 -4.69 5.45 0.87 -2.16 -3.51 113.55 116.62 2yuq h SER 3 Ca -0.35 -0.80 0.00 0.00 -1.23 0.00 0.00 61.79 59.41 2yuq h SER 3 Cb 1.16 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.12 2yuq h SER 3 CO 0.79 1.00 0.00 0.61 -0.53 0.00 0.00 176.83 178.70 2yuq n GLY 4 N 1.61 0.77 2.90 5.77 0.00 -1.26 -5.06 105.19 109.91 2yuq n GLY 4 Ca -0.12 -2.21 -0.25 0.00 0.00 0.00 0.00 46.02 43.45 2yuq n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2yuq s SER 5 N -1.28 1.83 0.09 1.61 1.04 -1.26 -5.14 113.70 110.60 2yuq s SER 5 Ca 0.00 -0.23 0.02 0.00 0.48 0.00 0.00 55.95 56.22 2yuq s SER 5 Cb 0.00 -0.71 -0.04 0.00 0.10 0.00 0.00 66.02 65.38 2yuq s SER 5 CO 0.00 -0.10 -0.07 -0.94 0.98 0.00 0.00 173.24 173.10 2yuq s SER 6 N 1.49 1.19 -0.32 7.02 1.04 -1.26 -5.13 113.70 117.73 2yuq s SER 6 Ca -0.00 -0.91 -0.03 0.00 0.48 0.00 0.00 55.95 55.49 2yuq s SER 6 Cb -0.13 0.07 0.19 0.00 0.10 0.00 0.00 66.02 66.24 2yuq s SER 6 CO -0.05 -0.39 0.85 -0.83 0.98 0.00 0.00 173.24 173.80 2yuq s GLY 7 N -2.75 -1.21 0.21 7.32 0.00 -1.26 -5.17 107.32 104.46 2yuq s GLY 7 Ca 0.08 1.32 -0.02 0.00 0.00 0.00 0.00 44.72 46.11 2yuq s GLY 7 CO -0.03 3.96 0.16 -1.83 0.00 0.00 0.00 173.10 175.36 2yuq s GLU 8 N 2.53 1.24 -0.10 2.90 4.04 -1.26 -5.10 118.70 122.95 2yuq s GLU 8 Ca 0.18 -1.62 -0.12 0.00 0.04 0.00 0.00 54.97 53.46 2yuq s GLU 8 Cb -0.03 0.29 -0.04 0.00 0.02 0.00 0.00 34.13 34.36 2yuq s GLU 8 CO -0.19 -0.42 -0.24 -0.25 -1.84 0.00 0.00 175.26 172.32 2yuq n ASP 9 N -0.32 1.64 -3.71 0.83 8.00 -1.26 -5.08 116.55 116.65 2yuq n ASP 9 Ca 0.02 0.26 -0.14 0.00 0.71 0.00 0.00 54.79 55.65 2yuq n ASP 9 Cb 0.66 -0.60 -0.09 0.00 -0.02 0.00 0.00 41.12 41.06 2yuq n ASP 9 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 2yuq s ASN 10 N -6.01 -0.40 -0.09 -2.24 3.84 -1.26 -5.04 114.94 103.75 2yuq s ASN 10 Ca -0.20 0.61 -0.02 0.00 0.21 0.00 0.00 52.86 53.46 2yuq s ASN 10 Cb 0.03 0.67 -0.03 0.00 -0.55 0.00 0.00 41.25 41.37 2yuq s ASN 10 CO 0.29 -0.30 2.49 0.54 -2.79 0.00 0.00 177.10 177.33 2yuq n ARG 11 N 2.11 1.51 -3.67 0.43 5.12 -1.26 -4.77 116.66 116.14 2yuq n ARG 11 Ca -0.17 -0.72 -0.13 0.00 -1.93 0.00 0.00 57.85 54.91 2yuq n ARG 11 Cb 0.57 -1.46 -0.08 0.00 -1.16 0.00 0.00 32.46 30.33 2yuq n ARG 11 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 2yuq s ARG 12 N -0.19 0.69 0.94 5.56 6.06 -1.26 -5.17 118.95 125.58 2yuq s ARG 12 Ca 0.28 0.86 -0.12 0.00 -2.50 0.00 0.00 55.73 54.25 2yuq s ARG 12 Cb 0.16 0.31 0.15 0.00 0.06 0.00 0.00 34.95 35.63 2yuq s ARG 12 CO -0.02 -0.09 1.09 -1.25 -2.50 0.00 0.00 175.30 172.53 2yuq s PRO 13 N 0.45 0.92 -0.04 5.12 0.04 -1.26 -5.00 135.00 135.23 2yuq s PRO 13 Ca -0.01 0.70 -0.23 0.00 0.04 0.00 0.00 61.00 61.49 2yuq s PRO 13 Cb -0.04 -1.78 -0.18 0.00 0.04 0.00 0.00 34.50 32.54 2yuq s PRO 13 CO -0.01 -2.44 1.02 -0.07 0.04 0.00 0.00 177.00 175.53 2yuq h LEU 14 N -1.69 -0.14 0.00 -3.56 3.38 -2.02 -3.46 115.31 107.82 2yuq h LEU 14 Ca -0.51 -0.41 -0.28 0.00 0.09 0.00 0.00 57.88 56.77 2yuq h LEU 14 Cb 1.30 0.04 0.03 0.00 0.09 0.00 0.00 40.66 42.12 2yuq h LEU 14 CO 0.56 0.40 0.02 0.79 0.09 0.00 0.00 178.44 180.29 2yuq n TRP 15 N -4.91 -2.87 -4.39 1.13 7.02 -1.26 -5.13 117.44 107.03 2yuq n TRP 15 Ca -0.08 -1.12 -0.28 0.00 -1.02 0.00 0.00 57.50 54.99 2yuq n TRP 15 Cb 0.27 -0.38 -0.12 0.00 -2.42 0.00 0.00 31.31 28.66 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 -3.77 1.51 0.38 -0.99 2.02 -1.26 -5.03 118.70 111.56 2yuq s GLU 16 Ca 0.37 -1.41 0.17 0.00 0.02 0.00 0.00 54.97 54.12 2yuq s GLU 16 Cb -0.02 -1.91 0.74 0.00 0.10 0.00 0.00 34.13 33.04 2yuq s GLU 16 CO 0.24 0.43 1.79 -1.00 0.02 0.00 0.00 175.26 176.74 2yuq h PRO 17 N 3.54 0.00 -0.43 0.39 0.13 -2.01 -3.00 132.00 130.61 2yuq h PRO 17 Ca -0.49 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.58 2yuq h PRO 17 Cb 1.19 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 2yuq h PRO 17 CO 0.44 0.38 -0.00 1.49 -0.23 0.00 0.00 178.00 180.08 2yuq h GLU 18 N 0.00 0.70 -6.43 0.86 4.81 -2.05 -3.43 114.58 109.04 2yuq h GLU 18 Ca -0.00 -0.18 -0.54 0.00 -0.13 0.00 0.00 59.36 58.51 2yuq h GLU 18 Cb 0.78 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 30.04 2yuq h GLU 18 CO 0.05 0.71 -0.00 -1.21 -0.73 0.00 0.00 179.01 177.83 2yuq s GLU 19 N -4.98 4.09 -0.90 1.92 0.41 -1.14 -5.01 118.70 113.11 2yuq s GLU 19 Ca -0.09 0.65 -0.23 0.00 -0.41 0.00 0.00 54.97 54.89 2yuq s GLU 19 Cb 0.15 -2.91 0.06 0.00 -1.78 0.00 0.00 34.13 29.65 2yuq s GLU 19 CO 0.79 0.44 1.31 0.99 -0.49 0.00 0.00 175.26 178.30 2yuq s THR 20 N -1.49 4.04 -0.25 3.63 2.01 -1.26 -4.80 115.64 117.52 2yuq s THR 20 Ca 0.40 -0.54 -0.13 0.00 0.31 0.00 0.00 61.69 61.72 2yuq s THR 20 Cb -0.16 -4.94 -0.04 0.00 0.01 0.00 0.00 72.50 67.37 2yuq s THR 20 CO 0.20 -1.80 0.30 -0.69 -0.69 0.00 0.00 174.62 171.93 2yuq s VAL 21 N 4.73 5.25 0.32 3.82 1.01 -1.26 -1.36 120.40 132.91 2yuq s VAL 21 Ca 0.39 0.45 0.08 0.00 0.00 0.00 0.00 61.98 62.89 2yuq s VAL 21 Cb -0.05 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.66 2yuq s VAL 21 CO -0.01 0.24 0.15 0.68 0.00 0.00 0.00 175.10 176.15 2yuq s VAL 22 N 1.57 3.24 0.07 2.92 -7.23 0.79 -2.49 120.40 119.28 2yuq s VAL 22 Ca 0.13 -1.66 0.06 0.00 -1.81 0.00 0.00 61.98 58.70 2yuq s VAL 22 Cb -0.15 -3.01 -0.03 0.00 0.56 0.00 0.00 36.38 33.75 2yuq s VAL 22 CO 0.08 -0.22 -0.17 -0.63 -0.31 0.00 0.00 175.10 173.86 2yuq s ILE 23 N -2.38 1.34 -0.14 -0.62 1.01 -0.02 0.14 121.20 120.52 2yuq s ILE 23 Ca 0.37 -1.30 -0.16 0.00 0.00 0.00 0.00 60.65 59.56 2yuq s ILE 23 Cb -0.04 -1.23 -0.04 0.00 0.01 0.00 0.00 42.46 41.15 2yuq s ILE 23 CO 0.23 -0.08 0.39 0.00 0.00 0.00 0.00 174.94 175.47 2yuq s ALA 24 N -1.10 3.53 0.07 9.38 0.00 -1.04 0.58 121.76 133.18 2yuq s ALA 24 Ca 0.02 -0.33 -0.12 0.00 0.00 0.00 0.00 51.96 51.54 2yuq s ALA 24 Cb -0.09 -2.53 -0.25 0.00 0.00 0.00 0.00 23.12 20.25 2yuq s ALA 24 CO 0.03 0.03 1.15 -0.07 0.00 0.00 0.00 175.76 176.89 2yuq h LEU 25 N 6.75 0.79 -8.79 0.00 3.38 -1.46 -2.44 115.31 113.53 2yuq h LEU 25 Ca -0.41 -0.71 -0.43 0.00 0.09 0.00 0.00 57.88 56.43 2yuq h LEU 25 Cb 1.17 -0.25 -0.15 0.00 0.09 0.00 0.00 40.66 41.52 2yuq h LEU 25 CO 0.76 1.52 -0.74 -0.31 0.09 0.00 0.00 178.44 179.76 2yuq s TYR 26 N -3.04 1.58 -0.62 1.13 1.51 -1.26 -4.59 117.35 112.06 2yuq s TYR 26 Ca -0.08 -0.60 -0.28 0.00 -1.01 0.00 0.00 57.07 55.10 2yuq s TYR 26 Cb 0.06 -0.76 0.03 0.00 -0.11 0.00 0.00 41.96 41.18 2yuq s TYR 26 CO 0.92 0.27 1.24 0.16 -1.11 0.00 0.00 175.55 177.03 2yuq s ASP 27 N -3.10 6.33 0.53 2.29 -4.77 -1.26 -4.11 116.67 112.57 2yuq s ASP 27 Ca 0.19 -0.03 -0.07 0.00 -3.30 0.00 0.00 52.55 49.33 2yuq s ASP 27 Cb -0.01 -2.55 -0.04 0.00 -1.09 0.00 0.00 42.92 39.23 2yuq s ASP 27 CO 0.05 -1.61 0.86 -0.47 0.70 0.00 0.00 175.17 174.70 2yuq s TYR 28 N 5.31 3.58 -0.15 2.11 5.04 -0.62 -4.91 117.35 127.70 2yuq s TYR 28 Ca 0.42 0.95 -0.24 0.00 -2.44 0.00 0.00 57.07 55.77 2yuq s TYR 28 Cb -0.08 -2.43 0.06 0.00 0.35 0.00 0.00 41.96 39.85 2yuq s TYR 28 CO 0.22 -0.41 0.60 1.14 -1.34 0.00 0.00 175.55 175.76 2yuq s GLN 29 N -4.88 0.82 0.12 4.97 -2.07 -1.26 -3.29 119.66 114.07 2yuq s GLN 29 Ca 0.50 0.56 -0.01 0.00 -1.82 0.00 0.00 55.36 54.59 2yuq s GLN 29 Cb -0.10 0.39 -0.04 0.00 -1.09 0.00 0.00 33.01 32.17 2yuq s GLN 29 CO 0.48 -0.17 0.04 -0.08 -1.32 0.00 0.00 175.29 174.23 2yuq s THR 30 N -0.32 0.15 -1.09 3.63 -1.32 -1.26 -4.97 115.64 110.46 2yuq s THR 30 Ca -0.05 -1.90 0.18 0.00 -1.21 0.00 0.00 61.69 58.71 2yuq s THR 30 Cb -0.03 -1.96 -0.14 0.00 -1.51 0.00 0.00 72.50 68.86 2yuq s THR 30 CO 0.04 -0.56 0.82 -3.20 -2.21 0.00 0.00 174.62 169.51 2yuq n ASN 31 N -0.07 1.11 -4.87 8.08 2.85 -1.26 -4.96 115.26 116.15 2yuq n ASN 31 Ca -0.07 -1.05 -0.31 0.00 -0.11 0.00 0.00 54.58 53.04 2yuq n ASN 31 Cb 0.63 0.86 -0.05 0.00 1.24 0.00 0.00 39.78 42.46 2yuq n ASN 31 CO 0.00 0.00 0.00 -1.81 -2.11 0.00 0.00 177.26 173.34 2yuq s ASP 32 N -2.55 6.07 0.03 1.20 1.01 -1.26 -5.04 116.67 116.14 2yuq s ASP 32 Ca 0.09 0.18 -0.21 0.00 0.71 0.00 0.00 52.55 53.32 2yuq s ASP 32 Cb 0.14 -1.80 -0.15 0.00 1.01 0.00 0.00 42.92 42.12 2yuq s ASP 32 CO 0.67 0.18 1.33 1.55 0.21 0.00 0.00 175.17 179.11 2yuq h PRO 33 N 3.20 0.31 -0.83 8.23 0.13 -2.03 -3.23 132.00 137.79 2yuq h PRO 33 Ca -0.46 -0.17 0.21 0.00 -0.87 0.00 0.00 66.00 64.71 2yuq h PRO 33 Cb 1.16 0.01 -0.14 0.00 0.13 0.00 0.00 31.00 32.16 2yuq h PRO 33 CO 0.72 0.71 0.14 -0.56 -0.23 0.00 0.00 178.00 178.79 2yuq h GLN 34 N -0.08 0.17 -7.06 0.86 3.07 -1.96 -3.40 115.11 106.72 2yuq h GLN 34 Ca 0.02 -0.01 -0.46 0.00 0.09 0.00 0.00 58.65 58.29 2yuq h GLN 34 Cb 0.66 -0.04 -0.01 0.00 0.08 0.00 0.00 27.48 28.17 2yuq h GLN 34 CO 0.03 0.11 0.32 -1.21 0.09 0.00 0.00 178.83 178.17 2yuq s GLU 35 N -6.01 4.12 0.04 0.06 8.01 -1.22 -2.61 118.70 121.09 2yuq s GLU 35 Ca -0.13 1.01 0.05 0.00 0.01 0.00 0.00 54.97 55.92 2yuq s GLU 35 Cb 0.24 -2.20 -0.03 0.00 -4.31 0.00 0.00 34.13 27.83 2yuq s GLU 35 CO 0.76 -0.08 -0.11 -1.17 0.01 0.00 0.00 175.26 174.67 2yuq s LEU 36 N -3.43 2.96 -0.59 1.80 2.96 -1.08 -4.71 118.68 116.59 2yuq s LEU 36 Ca 0.60 -0.29 -0.19 0.00 -0.22 0.00 0.00 54.13 54.03 2yuq s LEU 36 Cb -0.09 -1.73 0.10 0.00 0.50 0.00 0.00 46.19 44.97 2yuq s LEU 36 CO 0.19 0.25 0.70 0.00 -1.32 0.00 0.00 176.35 176.17 2yuq s ALA 37 N -1.03 3.41 0.82 5.97 0.00 -1.26 -4.71 121.76 124.96 2yuq s ALA 37 Ca 0.17 -2.21 -0.12 0.00 0.00 0.00 0.00 51.96 49.80 2yuq s ALA 37 Cb -0.11 -3.52 0.09 0.00 0.00 0.00 0.00 23.12 19.58 2yuq s ALA 37 CO 0.08 -2.33 1.17 -0.51 0.00 0.00 0.00 175.76 174.18 2yuq s LEU 38 N 2.67 3.08 -0.08 0.00 1.43 -1.21 -4.80 118.68 119.77 2yuq s LEU 38 Ca 0.12 2.24 0.03 0.00 -1.03 0.00 0.00 54.13 55.49 2yuq s LEU 38 Cb -0.24 -4.57 -0.02 0.00 0.03 0.00 0.00 46.19 41.39 2yuq s LEU 38 CO 0.06 -2.64 -0.18 -0.60 0.23 0.00 0.00 176.35 173.23 2yuq s ARG 39 N -4.34 2.88 0.22 1.70 6.06 -1.26 -1.60 118.95 122.61 2yuq s ARG 39 Ca 0.70 -0.77 -0.32 0.00 -2.50 0.00 0.00 55.73 52.84 2yuq s ARG 39 Cb -0.25 -2.40 -0.12 0.00 0.06 0.00 0.00 34.95 32.24 2yuq s ARG 39 CO 0.52 0.37 1.71 -2.13 -2.50 0.00 0.00 175.30 173.27 2yuq n ARG 40 N 3.04 2.79 -3.11 5.12 0.63 -1.26 -2.75 116.66 121.11 2yuq n ARG 40 Ca -0.18 1.00 -0.14 0.00 -0.92 0.00 0.00 57.85 57.62 2yuq n ARG 40 Cb 0.52 -2.84 0.07 0.00 0.45 0.00 0.00 32.46 30.66 2yuq n ARG 40 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 2yuq n ASN 41 N 3.76 -3.46 -3.72 6.15 5.03 -0.92 -4.96 115.26 117.15 2yuq n ASN 41 Ca 0.15 -0.55 -0.13 0.00 0.87 0.00 0.00 54.58 54.93 2yuq n ASN 41 Cb 0.35 -4.40 -0.13 0.00 -1.02 0.00 0.00 39.78 34.58 2yuq n ASN 41 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 2yuq s GLU 42 N -4.78 0.20 0.85 3.52 0.41 -1.11 -5.00 118.70 112.79 2yuq s GLU 42 Ca 0.14 0.56 -0.12 0.00 -0.41 0.00 0.00 54.97 55.15 2yuq s GLU 42 Cb -0.02 -0.11 0.10 0.00 -1.78 0.00 0.00 34.13 32.32 2yuq s GLU 42 CO 0.61 -0.18 1.11 -1.21 -0.49 0.00 0.00 175.26 175.10 2yuq s GLU 43 N 1.43 1.65 -0.23 1.61 8.01 -1.26 -2.49 118.70 127.42 2yuq s GLU 43 Ca -0.08 0.53 -0.20 0.00 0.01 0.00 0.00 54.97 55.23 2yuq s GLU 43 Cb -0.11 -1.88 0.06 0.00 -4.31 0.00 0.00 34.13 27.90 2yuq s GLU 43 CO -0.09 -1.90 0.60 0.71 0.01 0.00 0.00 175.26 174.60 2yuq s TYR 44 N -3.17 -0.70 -0.40 1.61 1.51 0.36 -4.64 117.35 111.91 2yuq s TYR 44 Ca 0.62 1.66 -0.24 0.00 -1.01 0.00 0.00 57.07 58.10 2yuq s TYR 44 Cb -0.15 0.27 0.02 0.00 -0.11 0.00 0.00 41.96 41.99 2yuq s TYR 44 CO 0.54 -0.34 0.84 0.00 -1.11 0.00 0.00 175.55 175.48 2yuq s LEU 46 N 3.35 4.36 -0.09 0.00 2.96 -0.46 -0.95 118.68 127.85 2yuq s LEU 46 Ca 0.34 2.86 -0.10 0.00 -0.22 0.00 0.00 54.13 57.01 2yuq s LEU 46 Cb -0.12 -3.63 -0.03 0.00 0.50 0.00 0.00 46.19 42.91 2yuq s LEU 46 CO 0.20 -0.87 -0.19 0.18 -1.32 0.00 0.00 176.35 174.36 2yuq n LEU 47 N 2.51 1.11 -4.01 -0.68 4.77 0.77 -4.81 117.00 116.65 2yuq n LEU 47 Ca 0.09 0.19 -0.12 0.00 -0.03 0.00 0.00 56.01 56.13 2yuq n LEU 47 Cb 0.38 -0.59 -0.12 0.00 -2.33 0.00 0.00 43.42 40.76 2yuq n LEU 47 CO 0.63 -0.40 -0.39 -1.81 -1.33 0.00 0.00 177.39 174.09 2yuq s ASP 48 N -5.20 0.60 -0.38 -1.43 1.01 -0.66 -5.03 116.67 105.58 2yuq s ASP 48 Ca -0.15 -0.45 0.07 0.00 0.71 0.00 0.00 52.55 52.73 2yuq s ASP 48 Cb 0.02 0.04 0.44 0.00 1.01 0.00 0.00 42.92 44.43 2yuq s ASP 48 CO 0.23 -0.19 1.12 -1.54 0.21 0.00 0.00 175.17 175.00 2yuq n SER 49 N 1.77 4.41 0.00 0.27 3.41 -1.26 -1.87 113.62 120.35 2yuq n SER 49 Ca -0.21 -3.58 -0.12 0.00 -0.26 0.00 0.00 58.87 54.69 2yuq n SER 49 Cb 0.55 -0.43 -0.07 0.00 -0.26 0.00 0.00 64.21 64.01 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 2.48 0.08 -2.82 4.04 0.87 -1.97 -3.44 113.55 112.79 2yuq h SER 50 Ca 0.27 -0.14 -0.46 0.00 -1.23 0.00 0.00 61.79 60.24 2yuq h SER 50 Cb 1.15 -0.02 0.04 0.00 -0.44 0.00 0.00 62.40 63.13 2yuq h SER 50 CO 0.77 0.20 -0.04 -1.61 -0.53 0.00 0.00 176.83 175.61 2yuq s GLU 51 N -5.64 2.92 -0.18 2.24 0.41 -1.25 -5.06 118.70 112.14 2yuq s GLU 51 Ca -0.14 -0.49 -0.15 0.00 -0.41 0.00 0.00 54.97 53.78 2yuq s GLU 51 Cb 0.06 -2.50 -0.07 0.00 -1.78 0.00 0.00 34.13 29.83 2yuq s GLU 51 CO 0.68 -0.44 -0.21 -0.89 -0.49 0.00 0.00 175.26 173.91 2yuq n ILE 52 N -2.21 1.48 -0.06 -1.63 5.41 -1.26 -4.53 119.36 116.55 2yuq n ILE 52 Ca 0.03 0.08 -0.09 0.00 1.00 0.00 0.00 62.75 63.78 2yuq n ILE 52 Cb 0.58 -2.27 0.07 0.00 -0.71 0.00 0.00 39.64 37.31 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 -1.00 0.85 -3.45 1.39 3.86 -1.97 -3.42 115.15 111.42 2yuq h HIS 53 Ca -0.13 -0.23 -0.64 0.00 -1.16 0.00 0.00 60.37 58.21 2yuq h HIS 53 Cb 0.92 -0.19 -0.22 0.00 1.06 0.00 0.00 27.41 28.99 2yuq h HIS 53 CO -0.24 0.96 -0.64 -1.58 0.86 0.00 0.00 177.93 177.29 2yuq s TRP 54 N -4.42 3.07 -0.02 2.45 0.52 -1.26 -1.76 118.94 117.52 2yuq s TRP 54 Ca -0.09 -0.37 0.07 0.00 0.02 0.00 0.00 56.10 55.72 2yuq s TRP 54 Cb 0.12 -2.10 -0.02 0.00 -1.15 0.00 0.00 33.47 30.32 2yuq s TRP 54 CO 0.84 -0.20 -0.22 -1.58 0.02 0.00 0.00 176.95 175.82 2yuq s TRP 55 N 0.99 2.47 -0.41 -1.98 0.52 -0.25 -3.81 118.94 116.48 2yuq s TRP 55 Ca 0.02 -0.33 -0.19 0.00 0.02 0.00 0.00 56.10 55.62 2yuq s TRP 55 Cb -0.14 -1.54 0.01 0.00 -1.15 0.00 0.00 33.47 30.66 2yuq s TRP 55 CO 0.02 0.06 0.55 0.50 0.02 0.00 0.00 176.95 178.10 2yuq s ARG 56 N -0.74 3.34 0.29 4.98 3.52 -0.78 -2.33 118.95 127.23 2yuq s ARG 56 Ca 0.11 -0.41 0.03 0.00 -0.13 0.00 0.00 55.73 55.33 2yuq s ARG 56 Cb -0.10 -3.91 -0.06 0.00 -1.56 0.00 0.00 34.95 29.32 2yuq s ARG 56 CO 0.00 -0.86 0.06 0.14 -0.81 0.00 0.00 175.30 173.83 2yuq s VAL 57 N 2.51 0.99 0.12 7.11 -7.23 -1.19 -0.17 120.40 122.55 2yuq s VAL 57 Ca 0.19 -2.01 0.09 0.00 -1.81 0.00 0.00 61.98 58.43 2yuq s VAL 57 Cb -0.15 -2.67 -0.04 0.00 0.56 0.00 0.00 36.38 34.08 2yuq s VAL 57 CO 0.16 -0.06 -0.21 -1.58 -0.31 0.00 0.00 175.10 173.10 2yuq s GLN 58 N -3.92 1.19 0.56 4.82 0.74 -0.12 -2.30 119.66 120.62 2yuq s GLN 58 Ca 0.35 -1.24 -0.02 0.00 0.05 0.00 0.00 55.36 54.51 2yuq s GLN 58 Cb 0.08 -1.44 0.02 0.00 1.10 0.00 0.00 33.01 32.77 2yuq s GLN 58 CO 0.14 0.33 0.82 0.34 -0.55 0.00 0.00 175.29 176.37 2yuq s ASP 59 N -2.08 5.42 0.31 6.67 2.15 0.18 -1.84 116.67 127.47 2yuq s ASP 59 Ca 0.09 0.33 -0.01 0.00 0.43 0.00 0.00 52.55 53.40 2yuq s ASP 59 Cb -0.09 -1.29 0.49 0.00 -0.30 0.00 0.00 42.92 41.73 2yuq s ASP 59 CO 0.05 -1.09 1.96 -0.09 -0.17 0.00 0.00 175.17 175.83 2yuq h ARG 60 N -0.02 1.03 -0.14 4.34 2.43 -1.88 -2.66 114.38 117.47 2yuq h ARG 60 Ca -0.44 -0.06 -0.07 0.00 -0.81 0.00 0.00 59.98 58.59 2yuq h ARG 60 Cb 1.28 -0.23 -0.00 0.00 -0.42 0.00 0.00 29.97 30.60 2yuq h ARG 60 CO 0.57 0.68 -0.19 -0.91 -1.51 0.00 0.00 179.97 178.61 2yuq h ASN 61 N 1.06 0.42 0.00 -3.80 4.21 -1.99 -3.47 115.58 112.01 2yuq h ASN 61 Ca 0.32 -0.51 0.00 0.00 1.21 0.00 0.00 56.30 57.31 2yuq h ASN 61 Cb -0.03 -0.12 0.00 0.00 -1.12 0.00 0.00 38.32 37.05 2yuq h ASN 61 CO -0.08 0.85 0.00 0.61 -1.29 0.00 0.00 177.43 177.51 2yuq n GLY 62 N 0.30 0.09 3.27 2.83 0.00 -1.00 -5.14 105.19 105.54 2yuq n GLY 62 Ca -0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.10 2.90 0.45 1.61 3.76 -1.26 -4.83 115.29 117.82 2yuq s HIS 63 Ca 0.00 -1.08 0.05 0.00 -0.15 0.00 0.00 55.06 53.88 2yuq s HIS 63 Cb 0.00 -2.04 -0.05 0.00 1.11 0.00 0.00 32.58 31.60 2yuq s HIS 63 CO 0.00 -0.58 0.02 -1.83 -0.85 0.00 0.00 174.74 171.50 2yuq s GLU 64 N 1.33 2.05 0.00 1.40 4.04 -1.26 0.49 118.70 126.75 2yuq s GLU 64 Ca 0.04 -2.20 0.00 0.00 0.04 0.00 0.00 54.97 52.85 2yuq s GLU 64 Cb -0.14 -1.62 0.00 0.00 0.02 0.00 0.00 34.13 32.39 2yuq s GLU 64 CO -0.05 -0.17 0.00 0.41 -1.84 0.00 0.00 175.26 173.62 2yuq n GLY 65 N -1.09 -0.64 3.59 -3.83 0.00 -0.97 -4.69 105.19 97.56 2yuq n GLY 65 Ca -0.10 -0.97 -0.36 0.00 0.00 0.00 0.00 46.02 44.59 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 3.22 0.05 1.61 2.02 -1.07 -3.14 117.35 117.05 2yuq s TYR 66 Ca 0.00 0.02 0.02 0.00 -0.37 0.00 0.00 57.07 56.74 2yuq s TYR 66 Cb 0.00 -2.25 -0.03 0.00 -0.40 0.00 0.00 41.96 39.28 2yuq s TYR 66 CO 0.00 -0.07 -0.07 0.14 -1.57 0.00 0.00 175.55 173.98 2yuq s VAL 67 N 1.21 0.55 -0.25 0.71 -7.23 -0.98 -2.65 120.40 111.76 2yuq s VAL 67 Ca 0.06 -1.24 -0.29 0.00 -1.81 0.00 0.00 61.98 58.70 2yuq s VAL 67 Cb -0.14 -0.81 -0.02 0.00 0.56 0.00 0.00 36.38 35.97 2yuq s VAL 67 CO 0.05 -0.48 1.63 -2.16 -0.31 0.00 0.00 175.10 173.83 2yuq s PRO 68 N -2.02 3.71 0.42 4.82 0.04 -1.26 -1.09 135.00 139.63 2yuq s PRO 68 Ca -0.06 1.58 0.25 0.00 0.04 0.00 0.00 61.00 62.82 2yuq s PRO 68 Cb -0.07 -4.06 1.29 0.00 0.04 0.00 0.00 34.50 31.70 2yuq s PRO 68 CO -0.01 -1.39 1.68 0.66 0.04 0.00 0.00 177.00 177.98 2yuq h SER 69 N 11.05 0.33 -0.90 6.66 4.64 -1.59 0.15 113.55 133.89 2yuq h SER 69 Ca -0.33 0.12 0.24 0.00 -0.47 0.00 0.00 61.79 61.35 2yuq h SER 69 Cb 1.15 0.09 -0.15 0.00 -0.31 0.00 0.00 62.40 63.17 2yuq h SER 69 CO 1.01 -0.08 0.16 0.28 -0.87 0.00 0.00 176.83 177.32 2yuq h SER 70 N 0.20 -0.17 -0.29 4.97 0.02 -1.89 0.27 113.55 116.66 2yuq h SER 70 Ca 0.73 0.22 -0.12 0.00 -0.84 0.00 0.00 61.79 61.79 2yuq h SER 70 Cb 2.14 0.34 -0.00 0.00 0.14 0.00 0.00 62.40 65.01 2yuq h SER 70 CO -0.38 -0.23 -0.28 1.88 -1.14 0.00 0.00 176.83 176.67 2yuq h TYR 71 N 0.13 0.84 -3.91 3.45 -1.99 -1.05 -3.44 116.97 110.99 2yuq h TYR 71 Ca 0.56 -0.25 -0.52 0.00 2.00 0.00 0.00 58.73 60.52 2yuq h TYR 71 Cb 1.14 -0.18 0.06 0.00 2.00 0.00 0.00 36.73 39.76 2yuq h TYR 71 CO -0.34 0.99 0.56 -0.51 -0.00 0.00 0.00 178.16 178.86 2yuq s LEU 72 N -8.98 4.29 -0.01 3.88 1.43 0.93 -1.17 118.68 119.06 2yuq s LEU 72 Ca -0.12 2.50 0.01 0.00 -1.03 0.00 0.00 54.13 55.49 2yuq s LEU 72 Cb 0.09 -3.86 0.01 0.00 0.03 0.00 0.00 46.19 42.45 2yuq s LEU 72 CO 0.83 -0.64 -0.02 0.68 0.23 0.00 0.00 176.35 177.43 2yuq s VAL 73 N -1.28 0.23 -0.31 -1.59 -7.23 0.20 -4.85 120.40 105.56 2yuq s VAL 73 Ca 0.54 -0.05 -0.28 0.00 -1.81 0.00 0.00 61.98 60.37 2yuq s VAL 73 Cb -0.35 -0.25 -0.03 0.00 0.56 0.00 0.00 36.38 36.31 2yuq s VAL 73 CO 0.45 0.10 1.99 -0.70 -0.31 0.00 0.00 175.10 176.63 2yuq s GLU 74 N 0.35 3.17 -0.09 4.82 2.12 -1.26 -0.84 118.70 126.97 2yuq s GLU 74 Ca -0.03 1.61 -0.36 0.00 0.36 0.00 0.00 54.97 56.55 2yuq s GLU 74 Cb -0.06 -4.29 -0.14 0.00 0.26 0.00 0.00 34.13 29.90 2yuq s GLU 74 CO -0.01 -2.05 1.74 1.17 -0.54 0.00 0.00 175.26 175.57 2yuq n LYS 75 N 8.61 1.77 -3.65 4.30 4.81 -1.04 -4.92 118.16 128.05 2yuq n LYS 75 Ca 0.26 0.65 -0.36 0.00 -0.87 0.00 0.00 58.31 57.98 2yuq n LYS 75 Cb 0.47 -2.41 -0.07 0.00 0.02 0.00 0.00 35.03 33.03 2yuq n LYS 75 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 2yuq s SER 76 N 3.06 5.87 0.33 3.14 0.01 -1.26 -4.88 113.70 119.97 2yuq s SER 76 Ca 0.91 -3.56 0.12 0.00 1.31 0.00 0.00 55.95 54.73 2yuq s SER 76 Cb -0.83 -1.90 0.55 0.00 0.21 0.00 0.00 66.02 64.06 2yuq s SER 76 CO 0.53 -0.22 1.73 1.55 0.41 0.00 0.00 173.24 177.24 2yuq h PRO 77 N 6.21 0.00 -0.91 12.44 0.13 -2.00 -3.18 132.00 144.68 2yuq h PRO 77 Ca 0.13 0.00 0.26 0.00 -0.87 0.00 0.00 66.00 65.52 2yuq h PRO 77 Cb 0.84 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 31.82 2yuq h PRO 77 CO 0.83 0.48 0.31 -0.91 -0.23 0.00 0.00 178.00 178.48 2yuq h ASN 78 N 0.00 0.11 -3.29 1.44 2.35 -2.02 -3.37 115.58 110.80 2yuq h ASN 78 Ca -0.00 0.20 -0.42 0.00 -0.55 0.00 0.00 56.30 55.52 2yuq h ASN 78 Cb 0.86 0.24 -0.38 0.00 0.05 0.00 0.00 38.32 39.10 2yuq h ASN 78 CO 0.06 -0.16 -0.76 0.20 -1.65 0.00 0.00 177.43 175.12 2yuq s ASN 79 N -5.04 1.41 -0.37 5.81 0.01 -1.20 -5.12 114.94 110.44 2yuq s ASN 79 Ca -0.12 -0.07 -0.12 0.00 -0.71 0.00 0.00 52.86 51.84 2yuq s ASN 79 Cb 0.27 -0.40 0.02 0.00 0.41 0.00 0.00 41.25 41.55 2yuq s ASN 79 CO 0.78 -0.18 0.23 -0.22 -1.51 0.00 0.00 177.10 176.20 2yuq s LEU 80 N 1.83 4.73 -0.42 0.60 1.98 -1.26 -4.87 118.68 121.26 2yuq s LEU 80 Ca 0.03 -0.86 0.08 0.00 -2.89 0.00 0.00 54.13 50.48 2yuq s LEU 80 Cb -0.12 -2.07 0.42 0.00 0.66 0.00 0.00 46.19 45.08 2yuq s LEU 80 CO -0.04 -0.36 1.06 -1.84 -1.89 0.00 0.00 176.35 173.28 2yuq n GLU 81 N 5.05 2.94 -4.08 1.98 -0.00 -1.26 -5.05 120.64 120.22 2yuq n GLU 81 Ca -0.12 -4.27 -0.10 0.00 -0.00 0.00 0.00 57.16 52.66 2yuq n GLU 81 Cb 0.47 -2.05 -0.07 0.00 -0.00 0.00 0.00 31.44 29.79 2yuq n GLU 81 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.13 178.08 2yuq s THR 82 N -4.97 0.00 -0.07 3.84 -4.23 -1.26 -5.18 115.64 103.78 2yuq s THR 82 Ca 0.44 -1.63 -0.13 0.00 -1.18 0.00 0.00 61.69 59.18 2yuq s THR 82 Cb 0.40 -2.33 0.03 0.00 1.34 0.00 0.00 72.50 71.94 2yuq s THR 82 CO -0.14 0.00 0.32 -0.31 -0.54 0.00 0.00 174.62 173.95 2yuq s TYR 83 N -4.02 -0.27 -0.49 3.99 2.02 -1.26 -5.12 117.35 112.21 2yuq s TYR 83 Ca 0.29 0.55 0.00 0.00 -0.37 0.00 0.00 57.07 57.55 2yuq s TYR 83 Cb 0.02 0.11 0.13 0.00 -0.40 0.00 0.00 41.96 41.82 2yuq s TYR 83 CO 0.11 -0.30 0.26 -2.00 -1.57 0.00 0.00 175.55 172.05 2yuq s GLU 84 N -0.65 2.06 0.00 -0.62 2.12 -1.26 -5.29 118.70 115.06 2yuq s GLU 84 Ca -0.07 -2.25 0.28 0.00 0.36 0.00 0.00 54.97 53.29 2yuq s GLU 84 Cb -0.04 -3.48 1.02 0.00 0.26 0.00 0.00 34.13 31.88 2yuq s GLU 84 CO 0.03 -1.09 1.73 -2.67 -0.54 0.00 0.00 175.26 172.72