#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 -0.21 0.31 1.61 0.01 -1.26 -5.16 113.70 109.01 2yuq s SER 2 Ca 0.00 0.63 -0.16 0.00 1.31 0.00 0.00 55.95 57.72 2yuq s SER 2 Cb 0.00 0.56 0.03 0.00 0.21 0.00 0.00 66.02 66.82 2yuq s SER 2 CO 0.00 -0.19 0.67 -0.44 0.41 0.00 0.00 173.24 173.70 2yuq s SER 3 N 1.53 -0.03 0.00 2.44 0.01 -1.26 -5.08 113.70 111.32 2yuq s SER 3 Ca -0.07 -0.92 0.00 0.00 1.31 0.00 0.00 55.95 56.26 2yuq s SER 3 Cb -0.10 0.74 0.00 0.00 0.21 0.00 0.00 66.02 66.86 2yuq s SER 3 CO -0.10 -1.42 0.00 0.61 0.41 0.00 0.00 173.24 172.75 2yuq n GLY 4 N -0.48 0.08 3.62 3.44 0.00 -1.26 -5.12 105.19 105.47 2yuq n GLY 4 Ca -0.04 0.14 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.72 4.74 0.17 1.61 1.04 -1.26 -5.02 113.70 114.27 2yuq s SER 5 Ca 0.00 -0.12 0.00 0.00 0.48 0.00 0.00 55.95 56.31 2yuq s SER 5 Cb 0.00 -1.13 0.00 0.00 0.10 0.00 0.00 66.02 64.99 2yuq s SER 5 CO 0.00 0.27 0.00 -1.20 0.98 0.00 0.00 173.24 173.29 2yuq n SER 6 N 1.45 0.19 -3.03 7.02 7.64 -1.26 -5.11 113.62 120.52 2yuq n SER 6 Ca -0.15 0.29 -0.00 0.00 1.01 0.00 0.00 58.87 60.01 2yuq n SER 6 Cb 0.53 0.13 0.00 0.00 -1.01 0.00 0.00 64.21 63.85 2yuq n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yuq n GLY 7 N 2.18 -1.47 3.73 0.23 0.00 -1.26 -4.85 105.19 103.75 2yuq n GLY 7 Ca 0.00 0.17 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.23 4.38 -0.32 1.61 8.01 -1.26 -5.01 118.70 124.89 2yuq s GLU 8 Ca 0.00 2.04 -0.05 0.00 0.01 0.00 0.00 54.97 56.98 2yuq s GLU 8 Cb -0.00 -3.21 0.04 0.00 -4.31 0.00 0.00 34.13 26.66 2yuq s GLU 8 CO 0.27 -0.27 0.07 -0.51 0.01 0.00 0.00 175.26 174.83 2yuq s ASP 9 N 0.44 5.16 -0.61 -0.19 1.01 -1.26 -5.05 116.67 116.16 2yuq s ASP 9 Ca 0.57 -1.16 -0.07 0.00 0.71 0.00 0.00 52.55 52.60 2yuq s ASP 9 Cb -0.36 -1.82 0.16 0.00 1.01 0.00 0.00 42.92 41.91 2yuq s ASP 9 CO 0.37 -0.30 0.47 0.20 0.21 0.00 0.00 175.17 176.12 2yuq s ASN 10 N 1.36 5.70 0.23 0.27 0.01 -1.26 -5.07 114.94 116.18 2yuq s ASN 10 Ca -0.03 -2.50 -0.30 0.00 -0.71 0.00 0.00 52.86 49.32 2yuq s ASN 10 Cb -0.19 -1.97 -0.10 0.00 0.41 0.00 0.00 41.25 39.39 2yuq s ASN 10 CO 0.01 -0.52 1.44 -0.60 -1.51 0.00 0.00 177.10 175.93 2yuq s ARG 11 N 0.46 4.28 -0.22 -0.60 3.00 -1.26 -5.01 118.95 119.59 2yuq s ARG 11 Ca 0.13 2.27 -0.21 0.00 -1.00 0.00 0.00 55.73 56.93 2yuq s ARG 11 Cb -0.20 -3.13 0.06 0.00 0.00 0.00 0.00 34.95 31.68 2yuq s ARG 11 CO -0.04 -0.43 0.59 0.50 0.00 0.00 0.00 175.30 175.93 2yuq s ARG 12 N -0.11 0.69 1.03 5.12 3.52 -1.26 -5.17 118.95 122.77 2yuq s ARG 12 Ca 0.60 0.83 -0.13 0.00 -0.13 0.00 0.00 55.73 56.90 2yuq s ARG 12 Cb -0.41 0.34 0.21 0.00 -1.56 0.00 0.00 34.95 33.52 2yuq s ARG 12 CO 0.41 -0.08 1.10 -1.25 -0.81 0.00 0.00 175.30 174.66 2yuq s PRO 13 N 0.32 0.16 -0.14 5.12 0.04 -1.26 -5.03 135.00 134.21 2yuq s PRO 13 Ca -0.00 0.42 -0.02 0.00 0.04 0.00 0.00 61.00 61.44 2yuq s PRO 13 Cb -0.04 -1.71 -0.08 0.00 0.04 0.00 0.00 34.50 32.71 2yuq s PRO 13 CO 0.01 -2.89 -0.15 1.28 0.04 0.00 0.00 177.00 175.29 2yuq n LEU 14 N -4.27 2.20 0.00 -3.56 7.99 -1.26 -5.05 117.00 113.05 2yuq n LEU 14 Ca 0.06 0.03 -0.16 0.00 -0.01 0.00 0.00 56.01 55.92 2yuq n LEU 14 Cb 0.58 -0.45 0.09 0.00 -0.11 0.00 0.00 43.42 43.53 2yuq n LEU 14 CO 0.56 0.56 0.42 0.79 -1.51 0.00 0.00 177.39 178.21 2yuq n TRP 15 N -3.19 -3.25 -3.28 -1.77 7.02 -1.26 -5.08 117.44 106.63 2yuq n TRP 15 Ca -0.26 -1.12 -0.35 0.00 -1.02 0.00 0.00 57.50 54.75 2yuq n TRP 15 Cb 0.73 -0.53 -0.06 0.00 -2.42 0.00 0.00 31.31 29.03 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 -4.37 4.05 0.48 -0.99 2.02 -1.26 -4.98 118.70 113.64 2yuq s GLU 16 Ca 0.46 0.59 0.27 0.00 0.02 0.00 0.00 54.97 56.31 2yuq s GLU 16 Cb -0.02 -2.88 1.13 0.00 0.10 0.00 0.00 34.13 32.46 2yuq s GLU 16 CO 0.31 0.43 1.91 -1.00 0.02 0.00 0.00 175.26 176.93 2yuq h PRO 17 N 3.40 0.00 -0.97 0.39 0.13 -2.02 -3.06 132.00 129.86 2yuq h PRO 17 Ca -0.48 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.04 2yuq h PRO 17 Cb 1.19 0.00 -0.37 0.00 0.13 0.00 0.00 31.00 31.95 2yuq h PRO 17 CO 0.66 0.16 -0.13 -0.85 -0.23 0.00 0.00 178.00 177.61 2yuq n GLU 18 N -3.38 3.24 -3.90 0.86 0.28 -1.26 -4.96 120.64 111.52 2yuq n GLU 18 Ca -0.00 -3.86 -0.21 0.00 -0.16 0.00 0.00 57.16 52.92 2yuq n GLU 18 Cb 0.36 -2.28 -0.17 0.00 1.43 0.00 0.00 31.44 30.78 2yuq n GLU 18 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 2yuq s GLU 19 N -3.70 0.59 -0.13 3.44 0.41 -1.16 -5.10 118.70 113.05 2yuq s GLU 19 Ca 0.56 0.05 -0.29 0.00 -0.41 0.00 0.00 54.97 54.88 2yuq s GLU 19 Cb 0.44 -0.84 -0.06 0.00 -1.78 0.00 0.00 34.13 31.90 2yuq s GLU 19 CO -0.02 -0.22 2.09 0.99 -0.49 0.00 0.00 175.26 177.61 2yuq s THR 20 N 1.53 3.06 -0.00 3.63 2.01 -1.26 -4.83 115.64 119.77 2yuq s THR 20 Ca -0.02 0.07 0.08 0.00 0.31 0.00 0.00 61.69 62.13 2yuq s THR 20 Cb -0.13 -3.07 -0.02 0.00 0.01 0.00 0.00 72.50 69.29 2yuq s THR 20 CO -0.03 -0.03 -0.25 -0.69 -0.69 0.00 0.00 174.62 172.93 2yuq s VAL 21 N 6.71 2.17 0.20 3.82 1.01 -1.26 -2.52 120.40 130.53 2yuq s VAL 21 Ca 0.94 -1.15 0.08 0.00 0.00 0.00 0.00 61.98 61.85 2yuq s VAL 21 Cb -0.36 -1.79 -0.05 0.00 0.00 0.00 0.00 36.38 34.19 2yuq s VAL 21 CO 0.37 0.52 -0.16 0.68 0.00 0.00 0.00 175.10 176.51 2yuq s VAL 22 N -0.68 1.81 0.00 2.92 -7.23 0.16 -2.39 120.40 114.99 2yuq s VAL 22 Ca 0.11 -2.13 0.06 0.00 -1.81 0.00 0.00 61.98 58.21 2yuq s VAL 22 Cb -0.10 -1.99 -0.02 0.00 0.56 0.00 0.00 36.38 34.83 2yuq s VAL 22 CO 0.00 -0.50 -0.19 -0.63 -0.31 0.00 0.00 175.10 173.47 2yuq s ILE 23 N -2.66 1.53 -0.11 -0.62 1.01 -0.64 0.61 121.20 120.33 2yuq s ILE 23 Ca 0.21 -0.91 -0.24 0.00 0.00 0.00 0.00 60.65 59.71 2yuq s ILE 23 Cb -0.03 -1.29 -0.03 0.00 0.01 0.00 0.00 42.46 41.13 2yuq s ILE 23 CO 0.07 0.36 0.74 0.00 0.00 0.00 0.00 174.94 176.11 2yuq s ALA 24 N -0.54 3.41 0.13 9.38 0.00 -1.09 -0.51 121.76 132.54 2yuq s ALA 24 Ca 0.07 0.07 -0.08 0.00 0.00 0.00 0.00 51.96 52.03 2yuq s ALA 24 Cb -0.08 -3.05 -0.08 0.00 0.00 0.00 0.00 23.12 19.91 2yuq s ALA 24 CO -0.00 -0.33 1.34 -0.07 0.00 0.00 0.00 175.76 176.71 2yuq h LEU 25 N 7.40 0.73 -8.27 0.00 3.38 -1.08 -2.87 115.31 114.59 2yuq h LEU 25 Ca -0.36 -0.50 -0.48 0.00 0.09 0.00 0.00 57.88 56.63 2yuq h LEU 25 Cb 1.17 -0.22 -0.27 0.00 0.09 0.00 0.00 40.66 41.43 2yuq h LEU 25 CO 0.78 1.28 -0.81 -0.31 0.09 0.00 0.00 178.44 179.47 2yuq s TYR 26 N -3.61 1.30 -0.76 1.13 2.02 -1.26 -4.67 117.35 111.49 2yuq s TYR 26 Ca -0.08 -0.29 -0.26 0.00 -0.37 0.00 0.00 57.07 56.08 2yuq s TYR 26 Cb 0.09 -0.81 -0.10 0.00 -0.40 0.00 0.00 41.96 40.74 2yuq s TYR 26 CO 0.88 0.01 2.29 0.16 -1.57 0.00 0.00 175.55 177.31 2yuq s ASP 27 N -0.66 4.29 0.53 2.29 -4.77 -1.26 -4.48 116.67 112.61 2yuq s ASP 27 Ca 0.04 0.07 -0.18 0.00 -3.30 0.00 0.00 52.55 49.19 2yuq s ASP 27 Cb -0.06 -2.54 -0.07 0.00 -1.09 0.00 0.00 42.92 39.15 2yuq s ASP 27 CO 0.00 -3.43 1.02 -0.47 0.70 0.00 0.00 175.17 172.99 2yuq s TYR 28 N 13.17 3.15 0.04 2.11 5.04 -0.94 -4.86 117.35 135.07 2yuq s TYR 28 Ca 0.87 1.53 0.00 0.00 -2.44 0.00 0.00 57.07 57.04 2yuq s TYR 28 Cb -0.12 -2.95 -0.03 0.00 0.35 0.00 0.00 41.96 39.21 2yuq s TYR 28 CO 0.10 -0.72 -0.04 1.14 -1.34 0.00 0.00 175.55 174.68 2yuq s GLN 29 N -3.75 0.47 -0.29 4.97 -2.07 -1.26 -2.33 119.66 115.39 2yuq s GLN 29 Ca 0.63 -0.84 -0.17 0.00 -1.82 0.00 0.00 55.36 53.16 2yuq s GLN 29 Cb -0.14 0.02 0.16 0.00 -1.09 0.00 0.00 33.01 31.97 2yuq s GLN 29 CO 0.28 -0.04 1.08 -0.08 -1.32 0.00 0.00 175.29 175.21 2yuq s THR 30 N -2.19 0.00 -1.67 3.63 -1.32 -1.26 -4.86 115.64 107.98 2yuq s THR 30 Ca -0.07 0.00 0.19 0.00 -1.21 0.00 0.00 61.69 60.60 2yuq s THR 30 Cb -0.05 -1.00 0.63 0.00 -1.51 0.00 0.00 72.50 70.57 2yuq s THR 30 CO -0.03 0.00 1.53 -0.46 -2.21 0.00 0.00 174.62 173.45 2yuq n ASN 31 N 3.36 3.96 -4.89 8.08 0.23 -1.26 -4.51 115.26 120.23 2yuq n ASN 31 Ca -0.18 -2.17 -0.35 0.00 -0.53 0.00 0.00 54.58 51.36 2yuq n ASN 31 Cb 0.57 -0.50 -0.05 0.00 -2.08 0.00 0.00 39.78 37.72 2yuq n ASN 31 CO 0.00 0.00 0.00 -1.81 -0.93 0.00 0.00 177.26 174.52 2yuq s ASP 32 N -0.94 6.36 0.24 0.53 1.01 -1.26 -5.01 116.67 117.59 2yuq s ASP 32 Ca 0.46 0.39 0.01 0.00 0.71 0.00 0.00 52.55 54.12 2yuq s ASP 32 Cb 0.26 -2.02 0.28 0.00 1.01 0.00 0.00 42.92 42.46 2yuq s ASP 32 CO 0.28 0.32 1.61 1.55 0.21 0.00 0.00 175.17 179.14 2yuq h PRO 33 N 4.26 0.44 0.00 8.23 0.13 -1.97 -2.90 132.00 140.20 2yuq h PRO 33 Ca -0.51 -0.23 -0.03 0.00 -0.87 0.00 0.00 66.00 64.36 2yuq h PRO 33 Cb 1.20 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 2yuq h PRO 33 CO 0.65 0.80 -0.12 -0.56 -0.23 0.00 0.00 178.00 178.53 2yuq h GLN 34 N 0.36 0.00 -6.13 0.86 3.07 -1.95 -3.44 115.11 107.89 2yuq h GLN 34 Ca 0.03 0.00 -0.59 0.00 0.09 0.00 0.00 58.65 58.18 2yuq h GLN 34 Cb 0.91 0.00 -0.12 0.00 0.08 0.00 0.00 27.48 28.35 2yuq h GLN 34 CO 0.08 0.12 -0.67 -1.21 0.09 0.00 0.00 178.83 177.24 2yuq s GLU 35 N -4.23 2.00 0.13 0.06 2.02 -1.10 -0.12 118.70 117.46 2yuq s GLU 35 Ca -0.03 -1.67 0.10 0.00 0.02 0.00 0.00 54.97 53.39 2yuq s GLU 35 Cb 0.13 -1.94 -0.04 0.00 0.10 0.00 0.00 34.13 32.39 2yuq s GLU 35 CO 0.59 0.26 -0.23 -1.17 0.02 0.00 0.00 175.26 174.73 2yuq s LEU 36 N -3.63 2.33 -0.44 1.80 2.96 -1.19 -4.60 118.68 115.91 2yuq s LEU 36 Ca 0.32 -0.74 -0.18 0.00 -0.22 0.00 0.00 54.13 53.30 2yuq s LEU 36 Cb -0.03 -1.04 0.03 0.00 0.50 0.00 0.00 46.19 45.64 2yuq s LEU 36 CO 0.18 0.10 0.52 0.00 -1.32 0.00 0.00 176.35 175.83 2yuq s ALA 37 N -1.24 3.40 0.71 5.97 0.00 -1.26 -4.65 121.76 124.69 2yuq s ALA 37 Ca 0.11 -1.46 -0.11 0.00 0.00 0.00 0.00 51.96 50.50 2yuq s ALA 37 Cb -0.09 -3.16 0.01 0.00 0.00 0.00 0.00 23.12 19.88 2yuq s ALA 37 CO 0.06 -1.70 1.08 -0.51 0.00 0.00 0.00 175.76 174.69 2yuq s LEU 38 N 2.38 2.94 -0.05 0.00 1.43 -0.99 -4.89 118.68 119.50 2yuq s LEU 38 Ca 0.15 1.31 0.05 0.00 -1.03 0.00 0.00 54.13 54.62 2yuq s LEU 38 Cb -0.17 -4.13 -0.02 0.00 0.03 0.00 0.00 46.19 41.90 2yuq s LEU 38 CO 0.15 -1.41 -0.21 -0.60 0.23 0.00 0.00 176.35 174.51 2yuq s ARG 39 N -5.22 2.47 0.16 1.70 6.06 -1.26 -2.22 118.95 120.64 2yuq s ARG 39 Ca 0.58 -0.82 -0.31 0.00 -2.50 0.00 0.00 55.73 52.67 2yuq s ARG 39 Cb -0.12 -2.24 -0.11 0.00 0.06 0.00 0.00 34.95 32.54 2yuq s ARG 39 CO 0.53 0.50 1.72 0.50 -2.50 0.00 0.00 175.30 176.06 2yuq s ARG 40 N -0.44 4.15 -0.96 5.12 3.52 -1.26 -2.74 118.95 126.33 2yuq s ARG 40 Ca 0.05 2.53 -0.02 0.00 -0.13 0.00 0.00 55.73 58.16 2yuq s ARG 40 Cb -0.12 -3.31 -0.02 0.00 -1.56 0.00 0.00 34.95 29.94 2yuq s ARG 40 CO 0.01 -0.75 0.81 0.09 -0.81 0.00 0.00 175.30 174.65 2yuq n ASN 41 N 4.70 -3.36 -3.78 -2.12 3.02 -1.08 -4.93 115.26 107.70 2yuq n ASN 41 Ca 0.16 -0.54 -0.13 0.00 -0.03 0.00 0.00 54.58 54.03 2yuq n ASN 41 Cb 0.37 -4.39 -0.14 0.00 -0.61 0.00 0.00 39.78 35.01 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 -4.80 0.09 0.68 3.52 0.41 -1.11 -5.01 118.70 112.48 2yuq s GLU 42 Ca 0.13 0.28 -0.11 0.00 -0.41 0.00 0.00 54.97 54.87 2yuq s GLU 42 Cb -0.02 -0.11 -0.00 0.00 -1.78 0.00 0.00 34.13 32.22 2yuq s GLU 42 CO 0.61 -0.12 1.07 -1.21 -0.49 0.00 0.00 175.26 175.12 2yuq s GLU 43 N 0.82 3.05 -0.02 1.61 8.01 -1.26 -2.67 118.70 128.24 2yuq s GLU 43 Ca -0.06 0.50 -0.20 0.00 0.01 0.00 0.00 54.97 55.22 2yuq s GLU 43 Cb -0.08 -2.05 0.04 0.00 -4.31 0.00 0.00 34.13 27.72 2yuq s GLU 43 CO -0.04 -0.89 0.42 0.71 0.01 0.00 0.00 175.26 175.47 2yuq s TYR 44 N -3.29 -0.32 -0.54 1.61 1.51 0.20 -4.67 117.35 111.85 2yuq s TYR 44 Ca 0.57 0.52 -0.17 0.00 -1.01 0.00 0.00 57.07 56.98 2yuq s TYR 44 Cb -0.11 0.19 0.10 0.00 -0.11 0.00 0.00 41.96 42.03 2yuq s TYR 44 CO 0.52 -0.46 0.58 0.00 -1.11 0.00 0.00 175.55 175.08 2yuq n LEU 46 N 5.79 3.11 -0.12 0.00 7.94 -1.05 -1.71 117.00 130.97 2yuq n LEU 46 Ca -0.11 1.11 -0.22 0.00 -1.11 0.00 0.00 56.01 55.68 2yuq n LEU 46 Cb 0.43 -1.43 -0.09 0.00 0.53 0.00 0.00 43.42 42.86 2yuq n LEU 46 CO 0.54 -0.36 -0.94 0.18 -1.11 0.00 0.00 177.39 175.70 2yuq n LEU 47 N 2.89 1.91 -3.81 -1.96 4.77 0.25 -4.87 117.00 116.18 2yuq n LEU 47 Ca 0.15 0.39 -0.12 0.00 -0.03 0.00 0.00 56.01 56.40 2yuq n LEU 47 Cb 0.30 -0.86 -0.09 0.00 -2.33 0.00 0.00 43.42 40.43 2yuq n LEU 47 CO 0.63 0.27 -0.07 -0.62 -1.33 0.00 0.00 177.39 176.27 2yuq s ASP 48 N -6.92 -0.12 -0.27 -1.43 2.15 -0.75 -5.05 116.67 104.28 2yuq s ASP 48 Ca -0.32 0.04 0.11 0.00 0.43 0.00 0.00 52.55 52.80 2yuq s ASP 48 Cb 0.09 0.30 0.47 0.00 -0.30 0.00 0.00 42.92 43.48 2yuq s ASP 48 CO 0.49 -0.37 1.18 -1.54 -0.17 0.00 0.00 175.17 174.76 2yuq n SER 49 N 1.57 3.92 -0.21 -0.34 3.41 -1.26 -2.24 113.62 118.47 2yuq n SER 49 Ca -0.21 -3.38 -0.00 0.00 -0.26 0.00 0.00 58.87 55.01 2yuq n SER 49 Cb 0.56 -0.38 0.11 0.00 -0.26 0.00 0.00 64.21 64.23 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 2.14 0.31 -2.32 4.04 0.87 -1.97 -3.42 113.55 113.20 2yuq h SER 50 Ca 0.23 0.07 -0.45 0.00 -1.23 0.00 0.00 61.79 60.40 2yuq h SER 50 Cb 1.45 0.02 0.01 0.00 -0.44 0.00 0.00 62.40 63.44 2yuq h SER 50 CO 0.57 0.19 -0.24 -1.61 -0.53 0.00 0.00 176.83 175.20 2yuq s GLU 51 N -6.09 3.19 -0.19 2.24 8.01 -1.25 -5.06 118.70 119.54 2yuq s GLU 51 Ca -0.13 -0.70 -0.15 0.00 0.01 0.00 0.00 54.97 54.00 2yuq s GLU 51 Cb 0.17 -2.72 -0.08 0.00 -4.31 0.00 0.00 34.13 27.19 2yuq s GLU 51 CO 0.75 0.00 -0.20 -0.89 0.01 0.00 0.00 175.26 174.93 2yuq n ILE 52 N -1.79 1.49 -0.14 -1.63 5.41 -1.26 -4.54 119.36 116.90 2yuq n ILE 52 Ca -0.01 0.04 -0.10 0.00 1.00 0.00 0.00 62.75 63.67 2yuq n ILE 52 Cb 0.58 -2.22 0.03 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 1.08 -3.47 1.39 3.86 -1.97 -3.41 115.15 111.62 2yuq h HIS 53 Ca -0.20 -0.25 -0.64 0.00 -1.16 0.00 0.00 60.37 58.12 2yuq h HIS 53 Cb 1.02 -0.25 -0.22 0.00 1.06 0.00 0.00 27.41 29.01 2yuq h HIS 53 CO -0.21 1.05 -0.65 -1.58 0.86 0.00 0.00 177.93 177.41 2yuq s TRP 54 N -4.67 3.06 0.01 2.45 0.52 -1.26 -1.72 118.94 117.34 2yuq s TRP 54 Ca -0.11 -0.42 0.07 0.00 0.02 0.00 0.00 56.10 55.66 2yuq s TRP 54 Cb 0.13 -2.12 -0.03 0.00 -1.15 0.00 0.00 33.47 30.30 2yuq s TRP 54 CO 0.86 -0.25 -0.20 -1.58 0.02 0.00 0.00 176.95 175.80 2yuq s TRP 55 N 1.12 2.50 -0.40 -1.98 0.52 0.36 -3.89 118.94 117.17 2yuq s TRP 55 Ca 0.03 -0.30 -0.14 0.00 0.02 0.00 0.00 56.10 55.71 2yuq s TRP 55 Cb -0.14 -1.49 0.02 0.00 -1.15 0.00 0.00 33.47 30.70 2yuq s TRP 55 CO 0.02 0.15 0.27 0.50 0.02 0.00 0.00 176.95 177.91 2yuq s ARG 56 N -1.08 2.94 0.31 4.98 3.52 -0.95 -1.17 118.95 127.50 2yuq s ARG 56 Ca 0.12 -1.03 0.08 0.00 -0.13 0.00 0.00 55.73 54.78 2yuq s ARG 56 Cb -0.10 -3.90 -0.06 0.00 -1.56 0.00 0.00 34.95 29.33 2yuq s ARG 56 CO 0.02 -0.73 -0.08 0.14 -0.81 0.00 0.00 175.30 173.85 2yuq s VAL 57 N 1.64 1.94 -0.13 7.11 -7.23 -1.25 -0.58 120.40 121.90 2yuq s VAL 57 Ca 0.04 -2.17 0.01 0.00 -1.81 0.00 0.00 61.98 58.05 2yuq s VAL 57 Cb -0.19 -2.53 -0.01 0.00 0.56 0.00 0.00 36.38 34.22 2yuq s VAL 57 CO 0.09 -0.26 -0.17 -1.58 -0.31 0.00 0.00 175.10 172.87 2yuq s GLN 58 N -3.67 3.24 1.06 4.82 0.74 -0.70 -3.50 119.66 121.66 2yuq s GLN 58 Ca 0.31 -0.76 -0.13 0.00 0.05 0.00 0.00 55.36 54.83 2yuq s GLN 58 Cb 0.03 -2.52 0.22 0.00 1.10 0.00 0.00 33.01 31.84 2yuq s GLN 58 CO 0.14 0.16 1.07 0.34 -0.55 0.00 0.00 175.29 176.45 2yuq s ASP 59 N 0.45 2.05 0.27 6.67 2.15 0.44 -2.63 116.67 126.07 2yuq s ASP 59 Ca -0.12 1.30 0.03 0.00 0.43 0.00 0.00 52.55 54.19 2yuq s ASP 59 Cb -0.16 -2.00 0.38 0.00 -0.30 0.00 0.00 42.92 40.83 2yuq s ASP 59 CO 0.05 -3.51 1.68 0.08 -0.17 0.00 0.00 175.17 173.31 2yuq h ARG 60 N -2.15 0.38 0.05 4.34 0.11 -1.90 -3.21 114.38 112.01 2yuq h ARG 60 Ca -0.57 -0.17 -0.00 0.00 0.10 0.00 0.00 59.98 59.33 2yuq h ARG 60 Cb 1.33 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 32.40 2yuq h ARG 60 CO 0.55 0.70 -0.02 -0.91 0.10 0.00 0.00 179.97 180.39 2yuq h ASN 61 N 0.32 -0.06 0.00 0.08 2.35 -1.99 -3.47 115.58 112.81 2yuq h ASN 61 Ca 0.03 -0.43 0.00 0.00 -0.55 0.00 0.00 56.30 55.35 2yuq h ASN 61 Cb 0.80 0.01 0.00 0.00 0.05 0.00 0.00 38.32 39.19 2yuq h ASN 61 CO 0.06 0.41 0.00 0.61 -1.65 0.00 0.00 177.43 176.87 2yuq n GLY 62 N 0.18 0.00 3.83 2.83 0.00 -1.21 -5.17 105.19 105.64 2yuq n GLY 62 Ca -0.08 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.68 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 2.17 0.28 1.61 3.76 -1.26 -4.90 115.29 116.95 2yuq s HIS 63 Ca 0.00 -0.71 -0.16 0.00 -0.15 0.00 0.00 55.06 54.04 2yuq s HIS 63 Cb 0.00 -1.94 0.01 0.00 1.11 0.00 0.00 32.58 31.76 2yuq s HIS 63 CO 0.00 -0.12 0.63 -1.21 -0.85 0.00 0.00 174.74 173.19 2yuq s GLU 64 N -4.08 1.76 0.00 1.40 2.02 -1.26 -0.42 118.70 118.12 2yuq s GLU 64 Ca 0.36 -1.18 0.00 0.00 0.02 0.00 0.00 54.97 54.17 2yuq s GLU 64 Cb 0.00 0.55 0.00 0.00 0.10 0.00 0.00 34.13 34.78 2yuq s GLU 64 CO 0.21 -0.78 0.00 0.41 0.02 0.00 0.00 175.26 175.12 2yuq n GLY 65 N -0.45 3.68 3.70 -1.39 0.00 -1.23 -4.40 105.19 105.11 2yuq n GLY 65 Ca -0.03 -0.73 -0.42 0.00 0.00 0.00 0.00 46.02 44.84 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 2.84 0.09 1.61 2.02 0.83 -3.95 117.35 118.79 2yuq s TYR 66 Ca 0.00 0.66 0.04 0.00 -0.37 0.00 0.00 57.07 57.40 2yuq s TYR 66 Cb 0.00 -3.81 -0.04 0.00 -0.40 0.00 0.00 41.96 37.72 2yuq s TYR 66 CO 0.00 -3.05 -0.10 0.14 -1.57 0.00 0.00 175.55 170.97 2yuq s VAL 67 N 1.96 0.95 -0.42 0.71 -7.23 -0.32 -3.18 120.40 112.88 2yuq s VAL 67 Ca 0.68 -1.60 -0.28 0.00 -1.81 0.00 0.00 61.98 58.97 2yuq s VAL 67 Cb -0.37 -1.32 -0.01 0.00 0.56 0.00 0.00 36.38 35.23 2yuq s VAL 67 CO 0.30 -0.53 1.74 -2.16 -0.31 0.00 0.00 175.10 174.15 2yuq s PRO 68 N -2.68 3.20 0.55 4.82 0.04 -1.26 -0.48 135.00 139.19 2yuq s PRO 68 Ca 0.05 1.13 0.48 0.00 0.04 0.00 0.00 61.00 62.70 2yuq s PRO 68 Cb -0.04 -4.21 1.71 0.00 0.04 0.00 0.00 34.50 32.00 2yuq s PRO 68 CO 0.00 -2.02 1.59 0.66 0.04 0.00 0.00 177.00 177.27 2yuq h SER 69 N 13.00 0.02 -0.56 6.66 4.64 -1.56 0.31 113.55 136.05 2yuq h SER 69 Ca -0.31 0.01 0.11 0.00 -0.47 0.00 0.00 61.79 61.14 2yuq h SER 69 Cb 1.16 0.01 -0.11 0.00 -0.31 0.00 0.00 62.40 63.15 2yuq h SER 69 CO 1.09 -0.02 -0.13 0.28 -0.87 0.00 0.00 176.83 177.18 2yuq h SER 70 N 0.00 -0.51 -0.47 4.97 0.02 -1.88 -0.90 113.55 114.78 2yuq h SER 70 Ca 0.91 0.17 -0.05 0.00 -0.84 0.00 0.00 61.79 61.98 2yuq h SER 70 Cb 3.61 0.34 -0.02 0.00 0.14 0.00 0.00 62.40 66.48 2yuq h SER 70 CO -0.04 -0.18 0.09 1.88 -1.14 0.00 0.00 176.83 177.44 2yuq h TYR 71 N 0.00 0.80 -3.85 3.45 -1.99 -0.73 -3.43 116.97 111.22 2yuq h TYR 71 Ca 0.27 -0.10 -0.50 0.00 2.00 0.00 0.00 58.73 60.39 2yuq h TYR 71 Cb 0.41 -0.22 0.03 0.00 2.00 0.00 0.00 36.73 38.95 2yuq h TYR 71 CO -0.46 0.74 0.49 -0.51 -0.00 0.00 0.00 178.16 178.42 2yuq s LEU 72 N -9.57 4.44 -0.03 3.88 1.43 -0.34 -0.46 118.68 118.02 2yuq s LEU 72 Ca -0.13 2.30 0.02 0.00 -1.03 0.00 0.00 54.13 55.29 2yuq s LEU 72 Cb 0.11 -3.75 0.01 0.00 0.03 0.00 0.00 46.19 42.59 2yuq s LEU 72 CO 0.79 -0.30 -0.06 0.68 0.23 0.00 0.00 176.35 177.69 2yuq s VAL 73 N -1.25 0.60 -0.43 -1.59 -7.23 0.34 -4.86 120.40 105.97 2yuq s VAL 73 Ca 0.48 -0.21 -0.27 0.00 -1.81 0.00 0.00 61.98 60.16 2yuq s VAL 73 Cb -0.31 -0.58 -0.03 0.00 0.56 0.00 0.00 36.38 36.01 2yuq s VAL 73 CO 0.40 0.22 1.98 -0.70 -0.31 0.00 0.00 175.10 176.69 2yuq s GLU 74 N 0.54 2.87 -0.40 4.82 2.12 -1.26 -1.62 118.70 125.76 2yuq s GLU 74 Ca -0.07 1.24 -0.42 0.00 0.36 0.00 0.00 54.97 56.07 2yuq s GLU 74 Cb -0.11 -4.35 -0.17 0.00 0.26 0.00 0.00 34.13 29.76 2yuq s GLU 74 CO 0.00 -2.41 1.84 1.17 -0.54 0.00 0.00 175.26 175.32 2yuq n LYS 75 N 8.81 0.55 -2.29 4.30 4.81 -1.01 -4.87 118.16 128.46 2yuq n LYS 75 Ca 0.25 0.19 -0.38 0.00 -0.87 0.00 0.00 58.31 57.51 2yuq n LYS 75 Cb 0.50 -1.84 -0.02 0.00 0.02 0.00 0.00 35.03 33.69 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 4.40 6.40 0.28 3.14 0.01 -1.26 -4.95 113.70 121.72 2yuq s SER 76 Ca 1.06 2.32 0.06 0.00 1.31 0.00 0.00 55.95 60.71 2yuq s SER 76 Cb -1.26 -2.61 0.41 0.00 0.21 0.00 0.00 66.02 62.77 2yuq s SER 76 CO 0.69 -0.76 1.67 1.55 0.41 0.00 0.00 173.24 176.80 2yuq h PRO 77 N 2.40 0.22 0.51 12.44 0.13 -2.03 -3.30 132.00 142.37 2yuq h PRO 77 Ca -0.49 -0.12 -0.02 0.00 -0.87 0.00 0.00 66.00 64.50 2yuq h PRO 77 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2yuq h PRO 77 CO 0.62 0.64 -0.24 -0.91 -0.23 0.00 0.00 178.00 177.87 2yuq h ASN 78 N 0.18 -0.58 -5.25 1.44 4.21 -2.01 -3.48 115.58 110.10 2yuq h ASN 78 Ca 0.01 0.02 -0.29 0.00 1.21 0.00 0.00 56.30 57.26 2yuq h ASN 78 Cb 0.89 0.15 0.15 0.00 -1.12 0.00 0.00 38.32 38.39 2yuq h ASN 78 CO 0.07 -0.23 -0.70 -3.20 -1.29 0.00 0.00 177.43 172.08 2yuq n ASN 79 N -4.84 -2.54 -2.67 5.81 5.15 -1.25 -4.95 115.26 109.98 2yuq n ASN 79 Ca -0.08 -0.56 -0.31 0.00 -0.60 0.00 0.00 54.58 53.02 2yuq n ASN 79 Cb 0.27 -4.64 0.01 0.00 -0.53 0.00 0.00 39.78 34.89 2yuq n ASN 79 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2yuq n LEU 80 N -3.70 5.64 -3.37 1.20 -0.00 -1.26 -4.85 117.00 110.67 2yuq n LEU 80 Ca -0.23 -5.13 -0.30 0.00 -0.00 0.00 0.00 56.01 50.34 2yuq n LEU 80 Cb 0.65 -0.67 -0.05 0.00 -0.00 0.00 0.00 43.42 43.34 2yuq n LEU 80 CO 0.54 2.09 0.32 -0.62 -0.00 0.00 0.00 177.39 179.73 2yuq n GLU 81 N -0.48 3.19 -1.64 1.47 -0.58 -1.26 -5.07 120.64 116.27 2yuq n GLU 81 Ca 0.43 -4.72 -0.30 0.00 -0.42 0.00 0.00 57.16 52.15 2yuq n GLU 81 Cb 0.50 -2.30 0.07 0.00 -0.57 0.00 0.00 31.44 29.14 2yuq n GLU 81 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 2yuq s THR 82 N -3.24 3.37 0.06 2.62 -4.23 -1.26 -5.02 115.64 107.95 2yuq s THR 82 Ca 0.41 0.45 -0.28 0.00 -1.18 0.00 0.00 61.69 61.09 2yuq s THR 82 Cb 0.18 -3.25 -0.05 0.00 1.34 0.00 0.00 72.50 70.71 2yuq s THR 82 CO -0.04 -0.58 0.87 -0.31 -0.54 0.00 0.00 174.62 174.02 2yuq s TYR 83 N -3.18 3.76 -0.75 3.99 2.02 -1.26 -5.02 117.35 116.91 2yuq s TYR 83 Ca 0.60 1.63 -0.00 0.00 -0.37 0.00 0.00 57.07 58.92 2yuq s TYR 83 Cb -0.13 -2.95 0.19 0.00 -0.40 0.00 0.00 41.96 38.66 2yuq s TYR 83 CO 0.54 0.21 0.58 -1.21 -1.57 0.00 0.00 175.55 174.10 2yuq s GLU 84 N 0.11 2.81 0.00 -0.62 0.41 -1.26 -5.33 118.70 114.82 2yuq s GLU 84 Ca 0.43 -3.01 0.21 0.00 -0.41 0.00 0.00 54.97 52.20 2yuq s GLU 84 Cb -0.22 -3.74 1.26 0.00 -1.78 0.00 0.00 34.13 29.65 2yuq s GLU 84 CO 0.26 -1.23 1.64 -2.67 -0.49 0.00 0.00 175.26 172.78