#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 6.64 0.10 1.61 0.15 -1.26 -5.00 113.70 115.94 2yuq s SER 2 Ca 0.00 2.67 -0.25 0.00 0.70 0.00 0.00 55.95 59.07 2yuq s SER 2 Cb 0.00 -2.62 0.08 0.00 -1.71 0.00 0.00 66.02 61.77 2yuq s SER 2 CO 0.00 -0.72 0.75 -0.55 1.20 0.00 0.00 173.24 173.92 2yuq s SER 3 N 0.41 -0.45 0.00 5.45 0.15 -1.26 -5.14 113.70 112.87 2yuq s SER 3 Ca 0.60 -0.05 0.00 0.00 0.70 0.00 0.00 55.95 57.20 2yuq s SER 3 Cb -0.42 0.51 0.00 0.00 -1.71 0.00 0.00 66.02 64.40 2yuq s SER 3 CO 0.43 -0.84 0.00 0.61 1.20 0.00 0.00 173.24 174.64 2yuq n GLY 4 N -0.33 -0.19 3.24 9.45 0.00 -1.26 -4.83 105.19 111.27 2yuq n GLY 4 Ca -0.12 -1.37 -0.34 0.00 0.00 0.00 0.00 46.02 44.20 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 3.67 -0.06 1.61 0.15 -1.26 -5.10 113.70 108.71 2yuq s SER 5 Ca 0.00 -0.50 -0.02 0.00 0.70 0.00 0.00 55.95 56.13 2yuq s SER 5 Cb 0.00 -1.58 0.03 0.00 -1.71 0.00 0.00 66.02 62.76 2yuq s SER 5 CO 0.00 0.04 0.05 -0.94 1.20 0.00 0.00 173.24 173.59 2yuq s SER 6 N 1.10 1.37 0.00 5.45 1.04 -1.26 -5.07 113.70 116.33 2yuq s SER 6 Ca 0.00 -0.03 0.00 0.00 0.48 0.00 0.00 55.95 56.40 2yuq s SER 6 Cb -0.14 -0.22 0.00 0.00 0.10 0.00 0.00 66.02 65.75 2yuq s SER 6 CO -0.04 -0.25 0.00 0.61 0.98 0.00 0.00 173.24 174.54 2yuq n GLY 7 N 5.26 -0.68 3.01 7.32 0.00 -1.26 -5.17 105.19 113.67 2yuq n GLY 7 Ca -0.04 0.74 -0.22 0.00 0.00 0.00 0.00 46.02 46.50 2yuq n GLY 7 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2yuq s GLU 8 N 0.00 1.14 0.62 1.61 2.56 -1.26 -5.14 118.70 118.24 2yuq s GLU 8 Ca 0.00 -0.34 -0.16 0.00 0.00 0.00 0.00 54.97 54.46 2yuq s GLU 8 Cb 0.00 -1.04 -0.02 0.00 2.00 0.00 0.00 34.13 35.07 2yuq s GLU 8 CO 0.00 0.11 1.11 -0.51 -0.56 0.00 0.00 175.26 175.41 2yuq s ASP 9 N 0.27 5.35 0.24 -1.70 1.11 -1.26 -4.98 116.67 115.71 2yuq s ASP 9 Ca -0.05 2.03 -0.30 0.00 0.18 0.00 0.00 52.55 54.41 2yuq s ASP 9 Cb -0.10 -2.56 -0.09 0.00 1.07 0.00 0.00 42.92 41.24 2yuq s ASP 9 CO 0.01 -1.47 1.30 0.21 1.18 0.00 0.00 175.17 176.40 2yuq s ASN 10 N -2.38 6.88 -0.05 0.27 2.47 -1.26 -4.93 114.94 115.95 2yuq s ASN 10 Ca 0.68 2.48 -0.30 0.00 0.42 0.00 0.00 52.86 56.15 2yuq s ASN 10 Cb -0.21 -2.62 -0.07 0.00 -1.45 0.00 0.00 41.25 36.90 2yuq s ASN 10 CO 0.37 -0.51 1.86 -0.60 -3.72 0.00 0.00 177.10 174.50 2yuq s ARG 11 N -0.67 4.01 -0.26 0.43 3.00 -1.26 -4.95 118.95 119.24 2yuq s ARG 11 Ca 0.54 2.32 -0.25 0.00 -1.00 0.00 0.00 55.73 57.34 2yuq s ARG 11 Cb -0.37 -4.12 0.09 0.00 0.00 0.00 0.00 34.95 30.55 2yuq s ARG 11 CO 0.42 -1.08 0.86 0.50 0.00 0.00 0.00 175.30 176.00 2yuq s ARG 12 N 4.56 0.70 0.62 5.12 3.52 -1.26 -5.17 118.95 127.04 2yuq s ARG 12 Ca 0.83 0.78 -0.16 0.00 -0.13 0.00 0.00 55.73 57.05 2yuq s ARG 12 Cb -0.37 0.34 -0.02 0.00 -1.56 0.00 0.00 34.95 33.34 2yuq s ARG 12 CO 0.36 -0.09 1.12 -1.25 -0.81 0.00 0.00 175.30 174.62 2yuq s PRO 13 N 0.22 2.97 -0.16 5.12 0.04 -1.26 -5.01 135.00 136.91 2yuq s PRO 13 Ca 0.01 1.46 -0.13 0.00 0.04 0.00 0.00 61.00 62.38 2yuq s PRO 13 Cb -0.05 -1.97 -0.07 0.00 0.04 0.00 0.00 34.50 32.46 2yuq s PRO 13 CO -0.02 -1.12 -0.28 1.28 0.04 0.00 0.00 177.00 176.90 2yuq n LEU 14 N -2.07 1.67 0.00 -3.56 4.77 -1.26 -5.03 117.00 111.52 2yuq n LEU 14 Ca 0.11 0.28 -0.21 0.00 -0.03 0.00 0.00 56.01 56.16 2yuq n LEU 14 Cb 0.52 -0.65 0.17 0.00 -2.33 0.00 0.00 43.42 41.12 2yuq n LEU 14 CO 0.46 -0.02 0.48 0.79 -1.33 0.00 0.00 177.39 177.77 2yuq n TRP 15 N -4.14 -3.73 -4.15 -1.77 7.02 -1.26 -5.07 117.44 104.33 2yuq n TRP 15 Ca -0.25 -0.74 -0.26 0.00 -1.02 0.00 0.00 57.50 55.23 2yuq n TRP 15 Cb 0.58 -0.79 -0.07 0.00 -2.42 0.00 0.00 31.31 28.61 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 -4.84 2.61 -0.02 -0.99 8.01 -1.26 -5.05 118.70 117.15 2yuq s GLU 16 Ca 0.51 -1.01 -0.26 0.00 0.01 0.00 0.00 54.97 54.23 2yuq s GLU 16 Cb -0.04 -2.48 -0.20 0.00 -4.31 0.00 0.00 34.13 27.11 2yuq s GLU 16 CO 0.38 0.47 1.24 -1.00 0.01 0.00 0.00 175.26 176.36 2yuq h PRO 17 N 2.60 -0.04 -0.86 0.39 0.13 -2.03 -3.23 132.00 128.96 2yuq h PRO 17 Ca -0.47 0.00 0.19 0.00 -0.87 0.00 0.00 66.00 64.85 2yuq h PRO 17 Cb 1.20 0.01 -0.11 0.00 0.13 0.00 0.00 31.00 32.23 2yuq h PRO 17 CO 0.60 0.44 0.38 1.49 -0.23 0.00 0.00 178.00 180.68 2yuq h GLU 18 N -0.52 0.44 -7.13 0.86 4.81 -2.06 -3.41 114.58 107.56 2yuq h GLU 18 Ca -0.00 -0.03 -0.50 0.00 -0.13 0.00 0.00 59.36 58.70 2yuq h GLU 18 Cb 0.49 -0.10 0.08 0.00 0.63 0.00 0.00 28.75 29.85 2yuq h GLU 18 CO 0.01 0.29 0.41 -1.21 -0.73 0.00 0.00 179.01 177.78 2yuq s GLU 19 N -5.93 3.15 -0.36 1.92 2.02 -1.22 -4.99 118.70 113.29 2yuq s GLU 19 Ca -0.12 1.53 -0.20 0.00 0.02 0.00 0.00 54.97 56.20 2yuq s GLU 19 Cb 0.24 -1.99 0.00 0.00 0.10 0.00 0.00 34.13 32.48 2yuq s GLU 19 CO 0.78 -0.99 0.59 0.99 0.02 0.00 0.00 175.26 176.64 2yuq s THR 20 N -1.99 4.93 -0.08 3.63 2.01 -1.26 -4.87 115.64 118.02 2yuq s THR 20 Ca 0.71 0.44 0.02 0.00 0.31 0.00 0.00 61.69 63.17 2yuq s THR 20 Cb -0.23 -4.04 -0.02 0.00 0.01 0.00 0.00 72.50 68.22 2yuq s THR 20 CO 0.32 -0.30 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.13 2yuq s VAL 21 N 2.59 3.12 0.34 3.82 1.01 -1.26 -0.92 120.40 129.11 2yuq s VAL 21 Ca 0.22 -0.68 0.06 0.00 0.00 0.00 0.00 61.98 61.58 2yuq s VAL 21 Cb -0.15 -2.26 -0.07 0.00 0.00 0.00 0.00 36.38 33.90 2yuq s VAL 21 CO 0.15 0.56 0.02 0.68 0.00 0.00 0.00 175.10 176.51 2yuq s VAL 22 N -0.31 1.57 0.07 2.92 -7.23 0.55 -2.51 120.40 115.45 2yuq s VAL 22 Ca 0.03 -2.03 0.05 0.00 -1.81 0.00 0.00 61.98 58.22 2yuq s VAL 22 Cb -0.13 -2.79 -0.03 0.00 0.56 0.00 0.00 36.38 34.00 2yuq s VAL 22 CO 0.03 -0.06 -0.15 -0.63 -0.31 0.00 0.00 175.10 173.97 2yuq s ILE 23 N -3.03 1.17 -0.27 -0.62 1.01 -0.77 0.80 121.20 119.49 2yuq s ILE 23 Ca 0.35 -1.26 -0.17 0.00 0.00 0.00 0.00 60.65 59.56 2yuq s ILE 23 Cb 0.08 -1.10 -0.03 0.00 0.01 0.00 0.00 42.46 41.42 2yuq s ILE 23 CO 0.16 -0.16 0.49 0.00 0.00 0.00 0.00 174.94 175.43 2yuq s ALA 24 N -1.17 3.58 0.18 9.38 0.00 -1.15 -0.94 121.76 131.64 2yuq s ALA 24 Ca -0.00 -0.67 -0.09 0.00 0.00 0.00 0.00 51.96 51.20 2yuq s ALA 24 Cb -0.10 -2.87 0.07 0.00 0.00 0.00 0.00 23.12 20.23 2yuq s ALA 24 CO 0.02 -0.76 1.64 -0.07 0.00 0.00 0.00 175.76 176.59 2yuq h LEU 25 N 8.78 1.06 -8.48 0.00 3.38 -1.71 -2.88 115.31 115.46 2yuq h LEU 25 Ca -0.29 -0.31 -0.40 0.00 0.09 0.00 0.00 57.88 56.97 2yuq h LEU 25 Cb 1.14 -0.28 -0.20 0.00 0.09 0.00 0.00 40.66 41.41 2yuq h LEU 25 CO 0.71 1.11 -0.76 -0.31 0.09 0.00 0.00 178.44 179.27 2yuq s TYR 26 N -5.01 1.24 -0.78 1.13 2.02 -1.26 -4.70 117.35 109.99 2yuq s TYR 26 Ca -0.12 -0.53 -0.26 0.00 -0.37 0.00 0.00 57.07 55.80 2yuq s TYR 26 Cb 0.14 -0.68 -0.01 0.00 -0.40 0.00 0.00 41.96 41.01 2yuq s TYR 26 CO 0.86 0.07 1.69 0.16 -1.57 0.00 0.00 175.55 176.76 2yuq s ASP 27 N -2.09 5.63 0.17 2.29 1.47 -1.26 -4.39 116.67 118.49 2yuq s ASP 27 Ca 0.03 -0.39 -0.30 0.00 1.18 0.00 0.00 52.55 53.07 2yuq s ASP 27 Cb -0.07 -2.55 -0.08 0.00 -0.34 0.00 0.00 42.92 39.88 2yuq s ASP 27 CO 0.02 -2.22 1.11 -0.47 0.68 0.00 0.00 175.17 174.29 2yuq s TYR 28 N 7.94 3.58 0.04 2.11 5.04 -1.17 -4.92 117.35 129.97 2yuq s TYR 28 Ca 0.57 1.58 0.08 0.00 -2.44 0.00 0.00 57.07 56.86 2yuq s TYR 28 Cb -0.08 -3.29 -0.03 0.00 0.35 0.00 0.00 41.96 38.91 2yuq s TYR 28 CO 0.09 -0.66 -0.21 -0.65 -1.34 0.00 0.00 175.55 172.79 2yuq s GLN 29 N -0.30 2.01 -0.30 4.97 -0.21 -1.26 -2.41 119.66 122.16 2yuq s GLN 29 Ca 0.50 -1.01 -0.13 0.00 0.02 0.00 0.00 55.36 54.74 2yuq s GLN 29 Cb -0.29 -2.13 0.15 0.00 1.00 0.00 0.00 33.01 31.74 2yuq s GLN 29 CO 0.35 0.54 0.86 -0.08 -2.12 0.00 0.00 175.29 174.83 2yuq s THR 30 N -0.88 -0.69 -0.35 -0.19 -1.32 -1.26 -4.96 115.64 105.99 2yuq s THR 30 Ca 0.14 0.00 -0.02 0.00 -1.21 0.00 0.00 61.69 60.60 2yuq s THR 30 Cb -0.10 -1.00 0.19 0.00 -1.51 0.00 0.00 72.50 70.08 2yuq s THR 30 CO 0.04 0.00 2.16 -3.20 -2.21 0.00 0.00 174.62 171.41 2yuq n ASN 31 N 5.17 6.51 -4.34 8.08 2.85 -1.26 -4.63 115.26 127.64 2yuq n ASN 31 Ca -0.10 -3.11 -0.29 0.00 -0.11 0.00 0.00 54.58 50.97 2yuq n ASN 31 Cb 0.51 -1.09 -0.14 0.00 1.24 0.00 0.00 39.78 40.31 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 0.15 3.09 0.01 1.20 1.01 -1.26 -5.06 116.67 115.81 2yuq s ASP 32 Ca 0.37 -0.64 -0.23 0.00 0.71 0.00 0.00 52.55 52.77 2yuq s ASP 32 Cb 0.28 -0.25 -0.17 0.00 1.01 0.00 0.00 42.92 43.79 2yuq s ASP 32 CO -0.04 0.21 1.31 1.55 0.21 0.00 0.00 175.17 178.41 2yuq h PRO 33 N 4.47 0.21 0.00 8.23 0.13 -2.01 -2.93 132.00 140.10 2yuq h PRO 33 Ca -0.47 -0.11 0.00 0.00 -0.87 0.00 0.00 66.00 64.54 2yuq h PRO 33 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2yuq h PRO 33 CO 0.42 0.64 0.00 0.00 -0.23 0.00 0.00 178.00 178.83 2yuq n GLN 34 N -4.68 0.59 -4.83 0.86 0.00 -1.26 -4.69 117.38 103.36 2yuq n GLN 34 Ca -0.07 0.02 -0.29 0.00 0.00 0.00 0.00 57.00 56.65 2yuq n GLN 34 Cb 0.32 -1.50 -0.15 0.00 0.00 0.00 0.00 30.24 28.91 2yuq n GLN 34 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.06 175.85 2yuq s GLU 35 N -2.09 1.69 0.03 2.61 2.02 -1.11 -2.54 118.70 119.33 2yuq s GLU 35 Ca 0.29 -1.08 0.06 0.00 0.02 0.00 0.00 54.97 54.27 2yuq s GLU 35 Cb 0.14 -1.86 -0.03 0.00 0.10 0.00 0.00 34.13 32.47 2yuq s GLU 35 CO 0.25 0.48 -0.15 -1.17 0.02 0.00 0.00 175.26 174.69 2yuq s LEU 36 N -1.24 2.76 -0.51 1.80 2.96 -1.16 -4.53 118.68 118.76 2yuq s LEU 36 Ca 0.11 -0.36 -0.18 0.00 -0.22 0.00 0.00 54.13 53.48 2yuq s LEU 36 Cb -0.10 -1.61 0.07 0.00 0.50 0.00 0.00 46.19 45.06 2yuq s LEU 36 CO 0.02 0.26 0.56 0.00 -1.32 0.00 0.00 176.35 175.86 2yuq s ALA 37 N -0.95 3.46 1.03 5.97 0.00 -1.26 -4.70 121.76 125.31 2yuq s ALA 37 Ca 0.16 -1.97 -0.11 0.00 0.00 0.00 0.00 51.96 50.03 2yuq s ALA 37 Cb -0.11 -3.28 0.20 0.00 0.00 0.00 0.00 23.12 19.94 2yuq s ALA 37 CO 0.06 -1.96 1.06 1.28 0.00 0.00 0.00 175.76 176.19 2yuq n LEU 38 N 5.83 1.23 -4.18 0.00 4.77 -1.01 -4.84 117.00 118.80 2yuq n LEU 38 Ca -0.09 0.17 -0.31 0.00 -0.03 0.00 0.00 56.01 55.75 2yuq n LEU 38 Cb 0.44 -1.38 -0.17 0.00 -2.33 0.00 0.00 43.42 39.99 2yuq n LEU 38 CO 0.52 -2.67 -0.54 -0.60 -1.33 0.00 0.00 177.39 172.77 2yuq s ARG 39 N -4.49 2.84 0.20 3.23 6.06 -1.26 -3.01 118.95 122.51 2yuq s ARG 39 Ca 0.67 -0.81 -0.32 0.00 -2.50 0.00 0.00 55.73 52.78 2yuq s ARG 39 Cb -0.24 -2.18 -0.12 0.00 0.06 0.00 0.00 34.95 32.47 2yuq s ARG 39 CO 0.61 0.13 1.72 0.50 -2.50 0.00 0.00 175.30 175.77 2yuq s ARG 40 N 0.46 4.13 -0.88 5.12 3.52 -1.26 -2.68 118.95 127.35 2yuq s ARG 40 Ca -0.17 2.59 -0.01 0.00 -0.13 0.00 0.00 55.73 58.02 2yuq s ARG 40 Cb -0.17 -3.13 -0.01 0.00 -1.56 0.00 0.00 34.95 30.08 2yuq s ARG 40 CO 0.07 -0.75 0.74 0.09 -0.81 0.00 0.00 175.30 174.64 2yuq n ASN 41 N 4.16 -2.66 -3.78 -2.12 3.02 -1.09 -4.96 115.26 107.83 2yuq n ASN 41 Ca 0.16 -0.48 -0.13 0.00 -0.03 0.00 0.00 54.58 54.10 2yuq n ASN 41 Cb 0.36 -4.00 -0.13 0.00 -0.61 0.00 0.00 39.78 35.40 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 -4.85 0.19 0.51 3.52 0.41 -1.09 -5.02 118.70 112.37 2yuq s GLU 42 Ca 0.06 0.34 -0.18 0.00 -0.41 0.00 0.00 54.97 54.78 2yuq s GLU 42 Cb -0.01 0.01 -0.08 0.00 -1.78 0.00 0.00 34.13 32.27 2yuq s GLU 42 CO 0.55 -0.08 0.99 -1.21 -0.49 0.00 0.00 175.26 175.02 2yuq s GLU 43 N 0.54 3.90 -0.14 1.61 2.02 -1.26 -2.94 118.70 122.43 2yuq s GLU 43 Ca -0.04 1.06 -0.07 0.00 0.02 0.00 0.00 54.97 55.95 2yuq s GLU 43 Cb -0.05 -2.12 0.06 0.00 0.10 0.00 0.00 34.13 32.11 2yuq s GLU 43 CO -0.03 -0.32 0.32 0.71 0.02 0.00 0.00 175.26 175.96 2yuq s TYR 44 N -2.45 -0.48 0.12 1.61 1.51 0.24 -4.69 117.35 113.21 2yuq s TYR 44 Ca 0.61 1.05 -0.30 0.00 -1.01 0.00 0.00 57.07 57.42 2yuq s TYR 44 Cb -0.11 0.13 -0.06 0.00 -0.11 0.00 0.00 41.96 41.81 2yuq s TYR 44 CO 0.27 -0.31 1.09 0.00 -1.11 0.00 0.00 175.55 175.49 2yuq s LEU 46 N 0.19 3.63 -0.01 0.00 2.96 -0.09 -2.64 118.68 122.72 2yuq s LEU 46 Ca 0.51 0.06 -0.23 0.00 -0.22 0.00 0.00 54.13 54.25 2yuq s LEU 46 Cb -0.27 -3.15 -0.14 0.00 0.50 0.00 0.00 46.19 43.13 2yuq s LEU 46 CO 0.32 -1.38 1.04 -0.07 -1.32 0.00 0.00 176.35 174.94 2yuq h LEU 47 N 11.58 -0.49 -7.12 -0.68 3.38 -0.81 -3.45 115.31 117.72 2yuq h LEU 47 Ca -0.25 -0.10 -0.07 0.00 0.09 0.00 0.00 57.88 57.56 2yuq h LEU 47 Cb 1.06 0.13 -0.22 0.00 0.09 0.00 0.00 40.66 41.72 2yuq h LEU 47 CO 1.15 -0.09 -0.02 -0.62 0.09 0.00 0.00 178.44 178.95 2yuq s ASP 48 N -4.90 -0.64 -0.59 -0.43 2.15 -1.09 -5.04 116.67 106.12 2yuq s ASP 48 Ca -0.13 1.22 0.00 0.00 0.43 0.00 0.00 52.55 54.07 2yuq s ASP 48 Cb 0.01 1.22 0.49 0.00 -0.30 0.00 0.00 42.92 44.35 2yuq s ASP 48 CO 0.44 -0.21 1.94 -1.54 -0.17 0.00 0.00 175.17 175.63 2yuq n SER 49 N 2.92 6.63 -0.27 -0.34 3.41 -1.26 -2.44 113.62 122.26 2yuq n SER 49 Ca -0.14 -3.75 0.05 0.00 -0.26 0.00 0.00 58.87 54.76 2yuq n SER 49 Cb 0.56 -0.90 0.15 0.00 -0.26 0.00 0.00 64.21 63.76 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 1.80 -0.47 -5.97 4.04 4.64 -1.96 -3.41 113.55 112.20 2yuq h SER 50 Ca 0.59 0.22 -0.44 0.00 -0.47 0.00 0.00 61.79 61.68 2yuq h SER 50 Cb 1.27 0.40 0.00 0.00 -0.31 0.00 0.00 62.40 63.76 2yuq h SER 50 CO 1.42 -0.22 -0.12 -0.62 -0.87 0.00 0.00 176.83 176.41 2yuq n GLU 51 N -5.41 0.71 -0.07 4.77 -0.58 -1.26 -5.08 120.64 113.72 2yuq n GLU 51 Ca 0.14 -2.78 -0.14 0.00 -0.42 0.00 0.00 57.16 53.96 2yuq n GLU 51 Cb 0.48 -0.02 -0.05 0.00 -0.57 0.00 0.00 31.44 31.28 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 -1.92 0.72 -0.05 -3.67 5.41 -1.26 -4.73 119.36 113.86 2yuq n ILE 52 Ca 0.08 -0.19 -0.14 0.00 1.00 0.00 0.00 62.75 63.50 2yuq n ILE 52 Cb 0.52 -1.64 -0.07 0.00 -0.71 0.00 0.00 39.64 37.74 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 0.62 -3.41 1.39 3.86 -1.98 -3.40 115.15 111.78 2yuq h HIS 53 Ca -0.33 -0.22 -0.66 0.00 -1.16 0.00 0.00 60.37 57.99 2yuq h HIS 53 Cb 1.30 -0.12 -0.29 0.00 1.06 0.00 0.00 27.41 29.36 2yuq h HIS 53 CO -0.04 0.94 -0.73 -1.58 0.86 0.00 0.00 177.93 177.38 2yuq s TRP 54 N -4.05 2.98 0.23 2.45 0.52 -1.26 -1.62 118.94 118.19 2yuq s TRP 54 Ca -0.13 -1.12 0.07 0.00 0.02 0.00 0.00 56.10 54.94 2yuq s TRP 54 Cb 0.06 -2.09 -0.04 0.00 -1.15 0.00 0.00 33.47 30.25 2yuq s TRP 54 CO 0.80 -0.61 0.11 -1.58 0.02 0.00 0.00 176.95 175.69 2yuq s TRP 55 N 1.44 2.98 -0.32 -1.98 0.51 -0.67 -4.06 118.94 116.83 2yuq s TRP 55 Ca 0.04 -0.13 -0.10 0.00 -2.12 0.00 0.00 56.10 53.79 2yuq s TRP 55 Cb -0.15 -1.36 -0.01 0.00 -0.81 0.00 0.00 33.47 31.14 2yuq s TRP 55 CO -0.04 0.55 0.17 0.50 -0.51 0.00 0.00 176.95 177.62 2yuq s ARG 56 N -3.58 3.34 0.31 4.98 3.52 -1.02 -2.72 118.95 123.77 2yuq s ARG 56 Ca 0.32 -0.73 0.03 0.00 -0.13 0.00 0.00 55.73 55.22 2yuq s ARG 56 Cb -0.08 -3.61 -0.05 0.00 -1.56 0.00 0.00 34.95 29.64 2yuq s ARG 56 CO 0.23 -0.43 0.08 0.14 -0.81 0.00 0.00 175.30 174.50 2yuq s VAL 57 N 1.63 0.88 -0.01 7.11 -7.23 -1.25 -0.06 120.40 121.47 2yuq s VAL 57 Ca 0.05 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.22 2yuq s VAL 57 Cb -0.17 -2.68 0.01 0.00 0.56 0.00 0.00 36.38 34.10 2yuq s VAL 57 CO 0.07 0.00 -0.02 -1.58 -0.31 0.00 0.00 175.10 173.26 2yuq s GLN 58 N -3.91 0.27 0.82 4.82 0.74 -1.08 -3.13 119.66 118.19 2yuq s GLN 58 Ca 0.35 -0.04 -0.12 0.00 0.05 0.00 0.00 55.36 55.61 2yuq s GLN 58 Cb 0.08 -0.34 0.08 0.00 1.10 0.00 0.00 33.01 33.93 2yuq s GLN 58 CO 0.15 -0.01 1.12 0.34 -0.55 0.00 0.00 175.29 176.33 2yuq s ASP 59 N 0.35 4.37 0.50 6.67 2.15 0.50 -3.45 116.67 127.75 2yuq s ASP 59 Ca -0.03 1.13 0.23 0.00 0.43 0.00 0.00 52.55 54.31 2yuq s ASP 59 Cb -0.06 -1.80 1.33 0.00 -0.30 0.00 0.00 42.92 42.09 2yuq s ASP 59 CO -0.01 -2.03 2.06 0.08 -0.17 0.00 0.00 175.17 175.11 2yuq h ARG 60 N -1.13 0.00 0.02 4.34 0.11 -1.90 -2.98 114.38 112.84 2yuq h ARG 60 Ca -0.48 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 59.60 2yuq h ARG 60 Cb 1.29 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.37 2yuq h ARG 60 CO 0.61 0.13 -0.01 -0.91 0.10 0.00 0.00 179.97 179.89 2yuq h ASN 61 N 0.00 -0.02 0.00 0.08 4.21 -2.00 -3.48 115.58 114.37 2yuq h ASN 61 Ca -0.00 -0.72 0.00 0.00 1.21 0.00 0.00 56.30 56.79 2yuq h ASN 61 Cb 0.30 0.01 0.00 0.00 -1.12 0.00 0.00 38.32 37.50 2yuq h ASN 61 CO 0.02 0.74 0.00 0.61 -1.29 0.00 0.00 177.43 177.51 2yuq n GLY 62 N 1.07 0.00 3.19 2.83 0.00 -1.12 -5.15 105.19 106.01 2yuq n GLY 62 Ca -0.09 0.00 -0.33 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 0.00 2.69 0.46 1.61 3.76 -1.26 -4.90 115.29 117.66 2yuq s HIS 63 Ca 0.00 -1.26 0.03 0.00 -0.15 0.00 0.00 55.06 53.67 2yuq s HIS 63 Cb 0.00 -1.83 -0.02 0.00 1.11 0.00 0.00 32.58 31.84 2yuq s HIS 63 CO 0.00 -0.57 0.07 -1.83 -0.85 0.00 0.00 174.74 171.56 2yuq s GLU 64 N 0.80 2.07 0.00 1.40 4.04 -1.26 -0.37 118.70 125.38 2yuq s GLU 64 Ca -0.07 -2.30 0.00 0.00 0.04 0.00 0.00 54.97 52.64 2yuq s GLU 64 Cb -0.16 -1.04 0.00 0.00 0.02 0.00 0.00 34.13 32.95 2yuq s GLU 64 CO -0.01 -0.43 0.00 0.41 -1.84 0.00 0.00 175.26 173.38 2yuq n GLY 65 N -1.09 -0.57 3.17 -3.83 0.00 -1.18 -4.56 105.19 97.12 2yuq n GLY 65 Ca -0.12 -0.48 -0.32 0.00 0.00 0.00 0.00 46.02 45.10 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 -4.00 2.52 0.05 1.61 2.02 -1.05 -3.86 117.35 114.64 2yuq s TYR 66 Ca 0.00 -1.18 0.01 0.00 -0.37 0.00 0.00 57.07 55.53 2yuq s TYR 66 Cb 0.00 -1.71 -0.03 0.00 -0.40 0.00 0.00 41.96 39.82 2yuq s TYR 66 CO 0.00 -0.53 -0.06 0.14 -1.57 0.00 0.00 175.55 173.53 2yuq s VAL 67 N 0.68 0.46 -0.33 0.71 -7.23 -1.10 -2.98 120.40 110.61 2yuq s VAL 67 Ca -0.11 -1.33 -0.29 0.00 -1.81 0.00 0.00 61.98 58.45 2yuq s VAL 67 Cb -0.16 -0.89 -0.01 0.00 0.56 0.00 0.00 36.38 35.87 2yuq s VAL 67 CO 0.02 -0.58 1.69 -2.16 -0.31 0.00 0.00 175.10 173.75 2yuq s PRO 68 N -2.33 3.47 0.40 4.82 0.04 -1.26 -1.67 135.00 138.47 2yuq s PRO 68 Ca -0.04 1.37 0.23 0.00 0.04 0.00 0.00 61.00 62.60 2yuq s PRO 68 Cb -0.05 -4.13 1.27 0.00 0.04 0.00 0.00 34.50 31.64 2yuq s PRO 68 CO -0.02 -1.69 1.66 0.66 0.04 0.00 0.00 177.00 177.64 2yuq h SER 69 N 12.03 0.36 -0.97 6.66 4.64 -1.52 0.23 113.55 134.97 2yuq h SER 69 Ca -0.32 0.15 0.32 0.00 -0.47 0.00 0.00 61.79 61.47 2yuq h SER 69 Cb 1.15 0.12 -0.17 0.00 -0.31 0.00 0.00 62.40 63.20 2yuq h SER 69 CO 1.04 -0.14 0.35 0.28 -0.87 0.00 0.00 176.83 177.49 2yuq h SER 70 N 0.20 0.10 -0.09 4.97 0.02 -1.89 0.83 113.55 117.68 2yuq h SER 70 Ca 0.76 0.24 -0.18 0.00 -0.84 0.00 0.00 61.79 61.77 2yuq h SER 70 Cb 2.12 0.29 -0.00 0.00 0.14 0.00 0.00 62.40 64.95 2yuq h SER 70 CO -0.48 -0.29 -0.59 1.88 -1.14 0.00 0.00 176.83 176.22 2yuq h TYR 71 N 0.12 0.89 -3.32 3.45 -1.99 -0.90 -3.44 116.97 111.78 2yuq h TYR 71 Ca 0.70 -0.33 -0.52 0.00 2.00 0.00 0.00 58.73 60.57 2yuq h TYR 71 Cb 1.62 -0.16 0.02 0.00 2.00 0.00 0.00 36.73 40.21 2yuq h TYR 71 CO -0.19 1.12 0.63 -0.51 -0.00 0.00 0.00 178.16 179.21 2yuq s LEU 72 N -8.45 4.41 -0.06 3.88 1.43 0.29 -1.89 118.68 118.29 2yuq s LEU 72 Ca -0.09 2.31 0.03 0.00 -1.03 0.00 0.00 54.13 55.35 2yuq s LEU 72 Cb 0.10 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.73 2yuq s LEU 72 CO 0.87 -0.51 -0.15 0.68 0.23 0.00 0.00 176.35 177.47 2yuq s VAL 73 N 0.35 1.32 -0.36 -1.59 -7.23 -0.12 -4.87 120.40 107.90 2yuq s VAL 73 Ca 0.57 -0.62 -0.28 0.00 -1.81 0.00 0.00 61.98 59.85 2yuq s VAL 73 Cb -0.35 -1.16 -0.04 0.00 0.56 0.00 0.00 36.38 35.39 2yuq s VAL 73 CO 0.35 0.39 2.03 -0.70 -0.31 0.00 0.00 175.10 176.87 2yuq s GLU 74 N 0.33 2.97 -0.17 4.82 2.12 -1.26 -1.84 118.70 125.67 2yuq s GLU 74 Ca -0.10 1.48 -0.33 0.00 0.36 0.00 0.00 54.97 56.38 2yuq s GLU 74 Cb -0.14 -4.34 -0.10 0.00 0.26 0.00 0.00 34.13 29.81 2yuq s GLU 74 CO 0.03 -2.29 2.01 1.17 -0.54 0.00 0.00 175.26 175.64 2yuq n LYS 75 N 8.73 1.90 -1.14 4.30 4.81 -1.04 -4.84 118.16 130.88 2yuq n LYS 75 Ca 0.27 0.64 -0.37 0.00 -0.87 0.00 0.00 58.31 57.98 2yuq n LYS 75 Cb 0.48 -2.71 -0.01 0.00 0.02 0.00 0.00 35.03 32.82 2yuq n LYS 75 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 2yuq n SER 76 N 8.22 -2.10 -2.81 3.14 7.64 -1.26 -4.94 113.62 121.50 2yuq n SER 76 Ca 0.28 0.77 0.00 0.00 1.01 0.00 0.00 58.87 60.93 2yuq n SER 76 Cb 0.31 -0.77 0.00 0.00 -1.01 0.00 0.00 64.21 62.73 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 1.07 -0.41 0.00 1.43 -0.04 -1.26 -5.06 135.00 130.74 2yuq n PRO 77 Ca 0.11 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.57 2yuq n PRO 77 Cb 0.31 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.77 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 -2.09 0.00 -3.58 3.54 3.02 -1.26 -5.05 115.26 109.83 2yuq n ASN 78 Ca 0.00 0.00 -0.22 0.00 -0.03 0.00 0.00 54.58 54.33 2yuq n ASN 78 Cb 0.00 0.00 0.07 0.00 -0.61 0.00 0.00 39.78 39.24 2yuq n ASN 78 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2yuq n ASN 79 N -2.70 -3.85 -4.52 6.41 5.15 -1.26 -4.96 115.26 109.53 2yuq n ASN 79 Ca 0.00 -0.64 -0.41 0.00 -0.60 0.00 0.00 54.58 52.93 2yuq n ASN 79 Cb 0.20 -4.81 -0.09 0.00 -0.53 0.00 0.00 39.78 34.54 2yuq n ASN 79 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 2yuq s LEU 80 N -6.86 4.59 -0.83 1.20 1.98 -1.26 -5.02 118.68 112.48 2yuq s LEU 80 Ca 0.29 -0.40 -0.25 0.00 -2.89 0.00 0.00 54.13 50.88 2yuq s LEU 80 Cb -0.13 -2.30 -0.00 0.00 0.66 0.00 0.00 46.19 44.41 2yuq s LEU 80 CO 0.75 -0.38 1.67 -1.61 -1.89 0.00 0.00 176.35 174.89 2yuq s GLU 81 N 1.97 2.96 -0.29 1.98 2.02 -1.26 -4.80 118.70 121.28 2yuq s GLU 81 Ca 0.10 -0.28 0.06 0.00 0.02 0.00 0.00 54.97 54.88 2yuq s GLU 81 Cb -0.17 -4.81 0.58 0.00 0.10 0.00 0.00 34.13 29.84 2yuq s GLU 81 CO 0.12 -2.69 1.64 2.41 0.02 0.00 0.00 175.26 176.76 2yuq n THR 82 N 7.18 2.55 -3.74 3.63 -1.04 -1.26 -4.90 114.28 116.69 2yuq n THR 82 Ca 0.26 -1.37 -0.35 0.00 -2.04 0.00 0.00 64.05 60.55 2yuq n THR 82 Cb 0.50 -0.48 -0.09 0.00 -1.82 0.00 0.00 70.33 68.44 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 -2.55 3.35 -0.80 -1.42 1.51 -1.26 -5.05 117.35 111.14 2yuq s TYR 83 Ca 0.45 0.24 -0.05 0.00 -1.01 0.00 0.00 57.07 56.70 2yuq s TYR 83 Cb 0.36 -2.19 0.20 0.00 -0.11 0.00 0.00 41.96 40.23 2yuq s TYR 83 CO 0.10 0.18 0.67 -2.00 -1.11 0.00 0.00 175.55 173.39 2yuq s GLU 84 N 0.64 3.13 0.00 -0.62 2.56 -1.26 -5.28 118.70 117.86 2yuq s GLU 84 Ca 0.07 -2.85 0.00 0.00 0.00 0.00 0.00 54.97 52.19 2yuq s GLU 84 Cb -0.12 -3.99 0.00 0.00 2.00 0.00 0.00 34.13 32.02 2yuq s GLU 84 CO 0.01 -1.23 0.42 1.87 -0.56 0.00 0.00 175.26 175.76