#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 -0.44 0.07 1.61 0.01 -1.26 -5.18 113.70 108.51 2yuq s SER 2 Ca 0.00 0.06 0.08 0.00 1.31 0.00 0.00 55.95 57.39 2yuq s SER 2 Cb 0.00 0.52 -0.03 0.00 0.21 0.00 0.00 66.02 66.72 2yuq s SER 2 CO 0.00 -0.80 -0.21 -0.44 0.41 0.00 0.00 173.24 172.19 2yuq s SER 3 N -2.30 2.56 -0.40 2.44 0.01 -1.26 -5.07 113.70 109.69 2yuq s SER 3 Ca -0.02 -0.59 0.12 0.00 1.31 0.00 0.00 55.95 56.76 2yuq s SER 3 Cb -0.00 -0.19 0.38 0.00 0.21 0.00 0.00 66.02 66.43 2yuq s SER 3 CO -0.06 0.13 0.86 0.61 0.41 0.00 0.00 173.24 175.19 2yuq n GLY 4 N 1.54 3.60 3.53 3.44 0.00 -1.26 -5.03 105.19 111.00 2yuq n GLY 4 Ca -0.18 -1.86 -0.42 0.00 0.00 0.00 0.00 46.02 43.55 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 -2.88 6.65 -0.14 1.61 0.15 -1.26 -4.92 113.70 112.90 2yuq s SER 5 Ca 0.39 -1.92 -0.09 0.00 0.70 0.00 0.00 55.95 55.02 2yuq s SER 5 Cb 0.37 -2.51 0.05 0.00 -1.71 0.00 0.00 66.02 62.22 2yuq s SER 5 CO -0.07 -1.26 0.34 -0.44 1.20 0.00 0.00 173.24 173.01 2yuq s SER 6 N 4.30 -0.39 0.00 5.45 0.01 -1.26 -5.03 113.70 116.78 2yuq s SER 6 Ca 0.44 0.72 0.00 0.00 1.31 0.00 0.00 55.95 58.42 2yuq s SER 6 Cb -0.01 0.65 0.00 0.00 0.21 0.00 0.00 66.02 66.87 2yuq s SER 6 CO -0.06 -0.16 0.00 0.61 0.41 0.00 0.00 173.24 174.04 2yuq n GLY 7 N 3.73 1.54 2.51 3.44 0.00 -1.26 -4.58 105.19 110.57 2yuq n GLY 7 Ca -0.20 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.46 2yuq n GLY 7 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2yuq n GLU 8 N -0.48 2.72 -2.68 1.61 -0.58 -1.26 -4.81 120.64 115.16 2yuq n GLU 8 Ca 0.00 -3.38 -0.18 0.00 -0.42 0.00 0.00 57.16 53.18 2yuq n GLU 8 Cb 0.00 -2.28 0.02 0.00 -0.57 0.00 0.00 31.44 28.60 2yuq n GLU 8 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 2yuq n ASP 9 N -0.80 -5.24 -3.56 1.62 8.00 -1.26 -2.51 116.55 112.80 2yuq n ASP 9 Ca 0.60 -0.16 -0.21 0.00 0.71 0.00 0.00 54.79 55.73 2yuq n ASP 9 Cb 0.53 -4.18 0.07 0.00 -0.02 0.00 0.00 41.12 37.53 2yuq n ASP 9 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2yuq n ASN 10 N -1.59 -3.53 -4.36 -2.24 3.02 -1.26 -5.01 115.26 100.29 2yuq n ASN 10 Ca -0.13 -0.63 -0.26 0.00 -0.03 0.00 0.00 54.58 53.53 2yuq n ASN 10 Cb 0.62 -4.87 -0.12 0.00 -0.61 0.00 0.00 39.78 34.80 2yuq n ASN 10 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 2yuq s ARG 11 N -5.84 1.34 -0.28 3.52 1.81 -1.04 -5.14 118.95 113.31 2yuq s ARG 11 Ca 0.24 -1.36 -0.24 0.00 -1.72 0.00 0.00 55.73 52.65 2yuq s ARG 11 Cb -0.11 -1.65 0.12 0.00 -0.45 0.00 0.00 34.95 32.86 2yuq s ARG 11 CO 0.75 0.37 0.99 0.50 -0.68 0.00 0.00 175.30 177.23 2yuq s ARG 12 N -2.31 0.54 1.07 3.54 3.52 -1.26 -4.78 118.95 119.27 2yuq s ARG 12 Ca 0.14 0.65 -0.15 0.00 -0.13 0.00 0.00 55.73 56.25 2yuq s ARG 12 Cb -0.09 0.25 0.23 0.00 -1.56 0.00 0.00 34.95 33.78 2yuq s ARG 12 CO 0.07 -0.07 1.10 -1.25 -0.81 0.00 0.00 175.30 174.34 2yuq s PRO 13 N 0.31 -0.18 -0.18 5.12 0.04 -1.26 -5.04 135.00 133.82 2yuq s PRO 13 Ca 0.02 0.31 -0.12 0.00 0.04 0.00 0.00 61.00 61.25 2yuq s PRO 13 Cb -0.05 -1.68 -0.08 0.00 0.04 0.00 0.00 34.50 32.73 2yuq s PRO 13 CO -0.06 -3.09 -0.27 1.28 0.04 0.00 0.00 177.00 174.89 2yuq n LEU 14 N -4.39 1.58 0.00 -3.56 4.32 -1.26 -5.05 117.00 108.63 2yuq n LEU 14 Ca 0.07 0.27 -0.13 0.00 -0.02 0.00 0.00 56.01 56.20 2yuq n LEU 14 Cb 0.58 -0.63 0.04 0.00 -1.62 0.00 0.00 43.42 41.79 2yuq n LEU 14 CO 0.54 0.16 0.23 0.79 -1.22 0.00 0.00 177.39 177.88 2yuq n TRP 15 N -4.05 -2.47 -4.42 -1.77 7.02 -1.26 -5.13 117.44 105.36 2yuq n TRP 15 Ca -0.31 -1.38 -0.29 0.00 -1.02 0.00 0.00 57.50 54.49 2yuq n TRP 15 Cb 0.66 -0.35 -0.12 0.00 -2.42 0.00 0.00 31.31 29.07 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 -3.70 1.63 0.00 -0.99 2.02 -1.26 -5.01 118.70 111.40 2yuq s GLU 16 Ca 0.39 -1.24 0.15 0.00 0.02 0.00 0.00 54.97 54.29 2yuq s GLU 16 Cb -0.03 -2.01 0.80 0.00 0.10 0.00 0.00 34.13 32.99 2yuq s GLU 16 CO 0.25 0.47 1.38 -0.35 0.02 0.00 0.00 175.26 177.03 2yuq n PRO 17 N 0.99 0.30 -0.07 0.39 -0.04 -1.26 -2.60 135.00 132.72 2yuq n PRO 17 Ca -0.17 0.10 -0.16 0.00 -0.04 0.00 0.00 63.50 63.23 2yuq n PRO 17 Cb 0.53 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.35 2yuq n PRO 17 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2yuq n GLU 18 N -1.19 0.69 -2.63 0.54 4.07 -1.26 -4.95 120.64 115.91 2yuq n GLU 18 Ca 0.09 0.18 -0.34 0.00 -0.06 0.00 0.00 57.16 57.02 2yuq n GLU 18 Cb 0.10 -1.62 -0.05 0.00 -0.06 0.00 0.00 31.44 29.81 2yuq n GLU 18 CO 0.00 0.00 0.00 -1.21 -0.06 0.00 0.00 177.13 175.86 2yuq s GLU 19 N -2.54 4.00 -0.64 5.31 0.41 -1.07 -4.98 118.70 119.19 2yuq s GLU 19 Ca -0.23 1.31 -0.26 0.00 -0.41 0.00 0.00 54.97 55.38 2yuq s GLU 19 Cb 0.08 -2.19 0.04 0.00 -1.78 0.00 0.00 34.13 30.27 2yuq s GLU 19 CO 0.72 -0.26 1.13 0.99 -0.49 0.00 0.00 175.26 177.36 2yuq s THR 20 N -1.99 4.05 -0.04 3.63 2.01 -1.26 -4.83 115.64 117.21 2yuq s THR 20 Ca 0.64 0.42 -0.04 0.00 0.31 0.00 0.00 61.69 63.02 2yuq s THR 20 Cb -0.15 -4.74 -0.04 0.00 0.01 0.00 0.00 72.50 67.58 2yuq s THR 20 CO 0.19 -1.47 0.17 -0.69 -0.69 0.00 0.00 174.62 172.13 2yuq s VAL 21 N 4.85 5.45 -0.00 3.82 1.01 -1.26 -0.91 120.40 133.36 2yuq s VAL 21 Ca 0.35 -0.02 0.01 0.00 0.00 0.00 0.00 61.98 62.31 2yuq s VAL 21 Cb -0.10 -3.50 0.00 0.00 0.00 0.00 0.00 36.38 32.78 2yuq s VAL 21 CO 0.18 0.42 -0.01 0.68 0.00 0.00 0.00 175.10 176.37 2yuq s VAL 22 N -1.23 0.13 0.00 2.92 -7.23 -0.56 0.25 120.40 114.69 2yuq s VAL 22 Ca 0.23 -0.06 -0.00 0.00 -1.81 0.00 0.00 61.98 60.34 2yuq s VAL 22 Cb -0.12 -0.12 -0.04 0.00 0.56 0.00 0.00 36.38 36.65 2yuq s VAL 22 CO 0.14 0.04 0.09 -0.63 -0.31 0.00 0.00 175.10 174.43 2yuq s ILE 23 N 0.04 4.77 -0.18 -0.62 1.09 -0.53 0.35 121.20 126.12 2yuq s ILE 23 Ca -0.00 -0.43 -0.20 0.00 -1.10 0.00 0.00 60.65 58.92 2yuq s ILE 23 Cb -0.02 -3.20 -0.03 0.00 -1.06 0.00 0.00 42.46 38.16 2yuq s ILE 23 CO -0.00 0.32 0.60 0.00 -0.10 0.00 0.00 174.94 175.76 2yuq s ALA 24 N -1.23 3.52 0.30 9.38 0.00 -0.69 0.15 121.76 133.19 2yuq s ALA 24 Ca 0.24 -0.24 0.05 0.00 0.00 0.00 0.00 51.96 52.01 2yuq s ALA 24 Cb -0.12 -2.91 0.49 0.00 0.00 0.00 0.00 23.12 20.58 2yuq s ALA 24 CO 0.15 -0.44 1.75 -0.07 0.00 0.00 0.00 175.76 177.15 2yuq h LEU 25 N 7.87 0.35 -9.08 0.00 3.38 -1.48 -2.58 115.31 113.77 2yuq h LEU 25 Ca -0.34 -0.12 -0.42 0.00 0.09 0.00 0.00 57.88 57.09 2yuq h LEU 25 Cb 1.15 -0.09 -0.14 0.00 0.09 0.00 0.00 40.66 41.67 2yuq h LEU 25 CO 0.76 0.64 -0.59 -0.31 0.09 0.00 0.00 178.44 179.03 2yuq s TYR 26 N -4.39 1.71 -1.18 1.13 1.51 -1.26 -4.63 117.35 110.23 2yuq s TYR 26 Ca -0.06 -1.15 -0.08 0.00 -1.01 0.00 0.00 57.07 54.77 2yuq s TYR 26 Cb 0.14 -1.05 0.23 0.00 -0.11 0.00 0.00 41.96 41.17 2yuq s TYR 26 CO 0.77 -0.25 1.62 -0.40 -1.11 0.00 0.00 175.55 176.18 2yuq n ASP 27 N -0.71 5.67 -4.37 2.29 5.68 -1.26 -3.63 116.55 120.21 2yuq n ASP 27 Ca -0.01 -3.21 -0.40 0.00 -0.50 0.00 0.00 54.79 50.66 2yuq n ASP 27 Cb 0.66 -1.40 0.01 0.00 -1.14 0.00 0.00 41.12 39.25 2yuq n ASP 27 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2yuq n TYR 28 N 2.94 -1.50 -5.10 2.11 9.36 -1.04 -4.82 117.16 119.11 2yuq n TYR 28 Ca 0.33 0.54 -0.32 0.00 3.32 0.00 0.00 57.90 61.77 2yuq n TYR 28 Cb 0.36 -1.86 -0.17 0.00 -0.63 0.00 0.00 39.34 37.04 2yuq n TYR 28 CO 0.00 0.00 0.00 -0.65 0.22 0.00 0.00 176.86 176.43 2yuq s GLN 29 N -1.41 3.05 -0.30 2.98 -0.21 -1.26 -3.32 119.66 119.18 2yuq s GLN 29 Ca 0.62 -0.87 -0.12 0.00 0.02 0.00 0.00 55.36 55.01 2yuq s GLN 29 Cb -0.55 -2.33 0.17 0.00 1.00 0.00 0.00 33.01 31.30 2yuq s GLN 29 CO 0.60 0.14 0.94 -0.08 -2.12 0.00 0.00 175.29 174.77 2yuq s THR 30 N 0.44 -0.53 -0.61 -0.19 -1.32 -1.26 -4.96 115.64 107.21 2yuq s THR 30 Ca -0.16 0.00 -0.00 0.00 -1.21 0.00 0.00 61.69 60.31 2yuq s THR 30 Cb -0.17 -1.00 0.50 0.00 -1.51 0.00 0.00 72.50 70.32 2yuq s THR 30 CO 0.07 0.00 1.99 0.59 -2.21 0.00 0.00 174.62 175.06 2yuq n ASN 31 N 5.25 6.70 -4.71 8.08 3.02 -1.26 -3.98 115.26 128.36 2yuq n ASN 31 Ca -0.07 -3.75 -0.33 0.00 -0.03 0.00 0.00 54.58 50.40 2yuq n ASN 31 Cb 0.53 -0.93 -0.08 0.00 -0.61 0.00 0.00 39.78 38.68 2yuq n ASN 31 CO 0.00 0.00 0.00 1.51 -2.62 0.00 0.00 177.26 176.15 2yuq s ASP 32 N -1.74 5.29 0.00 6.41 1.47 -1.26 -4.99 116.67 121.84 2yuq s ASP 32 Ca 0.63 0.06 0.14 0.00 1.18 0.00 0.00 52.55 54.56 2yuq s ASP 32 Cb 0.50 -1.44 0.65 0.00 -0.34 0.00 0.00 42.92 42.29 2yuq s ASP 32 CO 0.02 0.30 1.44 -0.81 0.68 0.00 0.00 175.17 176.80 2yuq n PRO 33 N 1.50 0.06 -0.07 2.11 -0.04 -1.26 -2.95 135.00 134.35 2yuq n PRO 33 Ca -0.15 0.22 -0.22 0.00 -0.04 0.00 0.00 63.50 63.32 2yuq n PRO 33 Cb 0.53 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.36 2yuq n PRO 33 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2yuq n GLN 34 N -1.44 0.67 -4.11 0.54 3.00 -1.26 -4.96 117.38 109.81 2yuq n GLN 34 Ca 0.04 0.29 -0.27 0.00 -0.01 0.00 0.00 57.00 57.05 2yuq n GLN 34 Cb 0.15 -1.64 -0.06 0.00 0.00 0.00 0.00 30.24 28.69 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 -2.51 2.74 0.13 -1.09 2.02 -1.15 -1.49 118.70 117.35 2yuq s GLU 35 Ca -0.29 -0.91 0.05 0.00 0.02 0.00 0.00 54.97 53.84 2yuq s GLU 35 Cb 0.08 -2.57 -0.04 0.00 0.10 0.00 0.00 34.13 31.70 2yuq s GLU 35 CO 0.65 0.49 0.03 -1.17 0.02 0.00 0.00 175.26 175.28 2yuq s LEU 36 N -2.93 3.51 -0.60 1.80 2.96 -1.24 -4.19 118.68 118.00 2yuq s LEU 36 Ca 0.29 -0.21 -0.20 0.00 -0.22 0.00 0.00 54.13 53.80 2yuq s LEU 36 Cb -0.10 -2.20 0.09 0.00 0.50 0.00 0.00 46.19 44.48 2yuq s LEU 36 CO 0.22 0.13 0.75 0.00 -1.32 0.00 0.00 176.35 176.12 2yuq s ALA 37 N -1.51 3.36 0.97 5.97 0.00 -1.26 -4.71 121.76 124.58 2yuq s ALA 37 Ca 0.27 -2.13 -0.11 0.00 0.00 0.00 0.00 51.96 50.00 2yuq s ALA 37 Cb -0.11 -3.58 0.17 0.00 0.00 0.00 0.00 23.12 19.61 2yuq s ALA 37 CO 0.20 -2.40 1.11 -0.51 0.00 0.00 0.00 175.76 174.16 2yuq s LEU 38 N 2.93 2.33 0.05 0.00 1.43 -1.21 -4.84 118.68 119.36 2yuq s LEU 38 Ca 0.14 1.97 0.08 0.00 -1.03 0.00 0.00 54.13 55.29 2yuq s LEU 38 Cb -0.23 -4.25 -0.03 0.00 0.03 0.00 0.00 46.19 41.71 2yuq s LEU 38 CO 0.07 -3.30 -0.23 -0.60 0.23 0.00 0.00 176.35 172.52 2yuq s ARG 39 N -4.63 1.50 0.15 1.70 6.06 -1.26 -2.51 118.95 119.96 2yuq s ARG 39 Ca 0.67 -1.03 -0.31 0.00 -2.50 0.00 0.00 55.73 52.55 2yuq s ARG 39 Cb -0.23 -1.66 -0.10 0.00 0.06 0.00 0.00 34.95 33.03 2yuq s ARG 39 CO 0.59 0.42 1.55 0.50 -2.50 0.00 0.00 175.30 175.86 2yuq s ARG 40 N -1.29 4.23 -1.12 5.12 3.52 -1.24 -2.55 118.95 125.62 2yuq s ARG 40 Ca 0.09 2.31 -0.06 0.00 -0.13 0.00 0.00 55.73 57.94 2yuq s ARG 40 Cb -0.09 -3.20 0.01 0.00 -1.56 0.00 0.00 34.95 30.10 2yuq s ARG 40 CO 0.02 -0.59 0.97 0.09 -0.81 0.00 0.00 175.30 174.98 2yuq n ASN 41 N 4.09 -5.02 -4.03 -2.12 3.02 -0.97 -4.96 115.26 105.27 2yuq n ASN 41 Ca 0.14 -0.47 -0.24 0.00 -0.03 0.00 0.00 54.58 53.98 2yuq n ASN 41 Cb 0.39 -4.34 -0.16 0.00 -0.61 0.00 0.00 39.78 35.06 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 -5.93 1.65 0.56 3.52 0.41 -1.06 -4.97 118.70 112.88 2yuq s GLU 42 Ca 0.40 -0.42 -0.10 0.00 -0.41 0.00 0.00 54.97 54.44 2yuq s GLU 42 Cb -0.18 -1.38 -0.05 0.00 -1.78 0.00 0.00 34.13 30.75 2yuq s GLU 42 CO 0.61 0.05 0.95 -1.21 -0.49 0.00 0.00 175.26 175.18 2yuq s GLU 43 N 0.57 3.64 -0.18 1.61 8.01 -1.26 -1.71 118.70 129.39 2yuq s GLU 43 Ca -0.13 0.62 -0.09 0.00 0.01 0.00 0.00 54.97 55.38 2yuq s GLU 43 Cb -0.15 -2.18 0.06 0.00 -4.31 0.00 0.00 34.13 27.55 2yuq s GLU 43 CO 0.03 -0.41 0.42 0.71 0.01 0.00 0.00 175.26 176.02 2yuq s TYR 44 N -2.95 -0.63 0.10 1.61 1.51 0.15 -4.56 117.35 112.59 2yuq s TYR 44 Ca 0.53 1.33 -0.31 0.00 -1.01 0.00 0.00 57.07 57.62 2yuq s TYR 44 Cb -0.11 0.28 -0.07 0.00 -0.11 0.00 0.00 41.96 41.96 2yuq s TYR 44 CO 0.47 -0.36 1.24 0.00 -1.11 0.00 0.00 175.55 175.79 2yuq s LEU 46 N 0.80 3.43 -0.01 0.00 2.96 -0.09 -1.94 118.68 123.83 2yuq s LEU 46 Ca 0.59 0.17 -0.01 0.00 -0.22 0.00 0.00 54.13 54.66 2yuq s LEU 46 Cb -0.32 -3.13 -0.00 0.00 0.50 0.00 0.00 46.19 43.24 2yuq s LEU 46 CO 0.31 -1.56 0.17 -0.07 -1.32 0.00 0.00 176.35 173.88 2yuq h LEU 47 N 12.31 -0.02 -7.64 -0.68 3.38 -1.02 -3.44 115.31 118.20 2yuq h LEU 47 Ca -0.26 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.36 2yuq h LEU 47 Cb 1.07 0.00 -0.34 0.00 0.09 0.00 0.00 40.66 41.49 2yuq h LEU 47 CO 1.18 0.02 -0.75 -1.81 0.09 0.00 0.00 178.44 177.18 2yuq s ASP 48 N -3.05 0.48 -0.40 -0.43 1.01 -1.06 -5.03 116.67 108.20 2yuq s ASP 48 Ca -0.00 -0.04 0.05 0.00 0.71 0.00 0.00 52.55 53.27 2yuq s ASP 48 Cb 0.00 -0.25 0.56 0.00 1.01 0.00 0.00 42.92 44.24 2yuq s ASP 48 CO 0.01 -0.09 1.69 -1.54 0.21 0.00 0.00 175.17 175.45 2yuq n SER 49 N 4.06 3.73 -0.30 0.27 3.41 -1.26 -1.68 113.62 121.85 2yuq n SER 49 Ca -0.26 -3.73 0.06 0.00 -0.26 0.00 0.00 58.87 54.69 2yuq n SER 49 Cb 0.51 -0.74 0.16 0.00 -0.26 0.00 0.00 64.21 63.88 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 1.20 -0.58 -2.49 4.04 0.87 -1.96 -3.41 113.55 111.22 2yuq h SER 50 Ca 0.44 0.24 -0.47 0.00 -1.23 0.00 0.00 61.79 60.77 2yuq h SER 50 Cb 2.01 0.46 0.11 0.00 -0.44 0.00 0.00 62.40 64.55 2yuq h SER 50 CO 0.83 -0.26 0.20 -1.61 -0.53 0.00 0.00 176.83 175.46 2yuq s GLU 51 N -6.15 1.23 -0.11 2.24 0.41 -1.25 -5.07 118.70 109.99 2yuq s GLU 51 Ca -0.14 -1.03 -0.08 0.00 -0.41 0.00 0.00 54.97 53.31 2yuq s GLU 51 Cb 0.25 -2.19 -0.05 0.00 -1.78 0.00 0.00 34.13 30.35 2yuq s GLU 51 CO 0.76 -1.83 -0.19 -0.89 -0.49 0.00 0.00 175.26 172.62 2yuq n ILE 52 N -3.15 1.02 0.14 -1.63 5.41 -1.26 -4.68 119.36 115.21 2yuq n ILE 52 Ca 0.17 -0.03 0.01 0.00 1.00 0.00 0.00 62.75 63.90 2yuq n ILE 52 Cb 0.60 -1.81 0.14 0.00 -0.71 0.00 0.00 39.64 37.86 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 -0.53 0.00 -3.20 1.39 3.86 -1.97 -3.42 115.15 111.28 2yuq h HIS 53 Ca -0.23 0.00 -0.67 0.00 -1.16 0.00 0.00 60.37 58.31 2yuq h HIS 53 Cb 1.03 0.00 -0.32 0.00 1.06 0.00 0.00 27.41 29.18 2yuq h HIS 53 CO -0.11 0.56 -0.82 -1.58 0.86 0.00 0.00 177.93 176.83 2yuq s TRP 54 N -3.24 2.80 0.03 2.45 0.52 -1.26 -2.30 118.94 117.93 2yuq s TRP 54 Ca 0.01 -1.32 0.08 0.00 0.02 0.00 0.00 56.10 54.89 2yuq s TRP 54 Cb 0.10 -1.93 -0.03 0.00 -1.15 0.00 0.00 33.47 30.46 2yuq s TRP 54 CO 0.74 -0.65 -0.22 -1.58 0.02 0.00 0.00 176.95 175.26 2yuq s TRP 55 N 1.14 2.45 -0.29 -1.98 0.51 -0.45 -3.91 118.94 116.41 2yuq s TRP 55 Ca 0.01 -0.33 -0.15 0.00 -2.12 0.00 0.00 56.10 53.51 2yuq s TRP 55 Cb -0.14 -1.45 -0.03 0.00 -0.81 0.00 0.00 33.47 31.04 2yuq s TRP 55 CO -0.06 0.17 0.37 0.50 -0.51 0.00 0.00 176.95 177.41 2yuq s ARG 56 N -1.22 3.88 0.21 4.98 3.52 -0.68 -1.79 118.95 127.84 2yuq s ARG 56 Ca 0.13 -0.11 0.02 0.00 -0.13 0.00 0.00 55.73 55.64 2yuq s ARG 56 Cb -0.10 -3.70 -0.05 0.00 -1.56 0.00 0.00 34.95 29.54 2yuq s ARG 56 CO 0.03 -0.35 0.03 0.14 -0.81 0.00 0.00 175.30 174.33 2yuq s VAL 57 N 2.06 0.72 -0.01 7.11 -7.23 -1.23 -0.34 120.40 121.47 2yuq s VAL 57 Ca 0.14 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.39 2yuq s VAL 57 Cb -0.16 -2.32 -0.02 0.00 0.56 0.00 0.00 36.38 34.44 2yuq s VAL 57 CO 0.11 -0.30 -0.26 -1.58 -0.31 0.00 0.00 175.10 172.76 2yuq s GLN 58 N -3.94 2.08 0.79 4.82 0.74 -0.82 -3.16 119.66 120.17 2yuq s GLN 58 Ca 0.29 -0.95 -0.12 0.00 0.05 0.00 0.00 55.36 54.63 2yuq s GLN 58 Cb 0.06 -2.04 0.07 0.00 1.10 0.00 0.00 33.01 32.20 2yuq s GLN 58 CO 0.08 0.56 1.11 0.34 -0.55 0.00 0.00 175.29 176.83 2yuq s ASP 59 N -0.69 4.59 0.00 6.67 2.15 0.91 -2.94 116.67 127.37 2yuq s ASP 59 Ca 0.10 1.13 0.18 0.00 0.43 0.00 0.00 52.55 54.39 2yuq s ASP 59 Cb -0.10 -1.83 0.93 0.00 -0.30 0.00 0.00 42.92 41.62 2yuq s ASP 59 CO -0.01 -1.88 1.51 -2.11 -0.17 0.00 0.00 175.17 172.51 2yuq n ARG 60 N -3.36 0.32 -0.07 4.34 1.85 -1.26 -2.95 116.66 115.54 2yuq n ARG 60 Ca 0.07 0.09 -0.09 0.00 -1.00 0.00 0.00 57.85 56.93 2yuq n ARG 60 Cb 0.58 -1.50 -0.07 0.00 -1.05 0.00 0.00 32.46 30.42 2yuq n ARG 60 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 2yuq n ASN 61 N -1.22 2.76 0.00 2.89 3.02 -1.26 -5.03 115.26 116.41 2yuq n ASN 61 Ca 0.09 -0.06 0.00 0.00 -0.03 0.00 0.00 54.58 54.58 2yuq n ASN 61 Cb 0.12 -0.01 0.00 0.00 -0.61 0.00 0.00 39.78 39.28 2yuq n ASN 61 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2yuq n GLY 62 N 2.71 0.22 3.04 7.41 0.00 -1.15 -5.15 105.19 112.27 2yuq n GLY 62 Ca -0.24 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.34 2.35 0.40 1.61 3.76 -1.26 -4.87 115.29 116.95 2yuq s HIS 63 Ca 0.00 -1.37 0.08 0.00 -0.15 0.00 0.00 55.06 53.62 2yuq s HIS 63 Cb 0.00 -1.68 -0.04 0.00 1.11 0.00 0.00 32.58 31.97 2yuq s HIS 63 CO 0.00 -0.71 0.25 -1.21 -0.85 0.00 0.00 174.74 172.21 2yuq s GLU 64 N 1.43 2.36 0.00 1.40 2.02 -1.26 -0.06 118.70 124.59 2yuq s GLU 64 Ca 0.04 -1.69 0.00 0.00 0.02 0.00 0.00 54.97 53.34 2yuq s GLU 64 Cb -0.13 -2.15 0.00 0.00 0.10 0.00 0.00 34.13 31.95 2yuq s GLU 64 CO -0.11 -0.11 0.00 0.41 0.02 0.00 0.00 175.26 175.47 2yuq n GLY 65 N -1.34 2.97 3.64 -1.39 0.00 -1.19 -4.44 105.19 103.44 2yuq n GLY 65 Ca 0.00 -0.99 -0.43 0.00 0.00 0.00 0.00 46.02 44.61 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 3.20 0.22 1.61 2.02 -0.56 -3.52 117.35 118.32 2yuq s TYR 66 Ca 0.00 1.14 0.11 0.00 -0.37 0.00 0.00 57.07 57.95 2yuq s TYR 66 Cb 0.00 -3.49 -0.05 0.00 -0.40 0.00 0.00 41.96 38.03 2yuq s TYR 66 CO 0.00 -0.66 -0.21 0.14 -1.57 0.00 0.00 175.55 173.25 2yuq s VAL 67 N 3.38 2.25 -0.55 0.71 -7.23 -0.74 -3.59 120.40 114.63 2yuq s VAL 67 Ca 0.42 -2.17 -0.27 0.00 -1.81 0.00 0.00 61.98 58.14 2yuq s VAL 67 Cb -0.13 -2.14 -0.02 0.00 0.56 0.00 0.00 36.38 34.65 2yuq s VAL 67 CO 0.13 -0.30 1.83 -2.16 -0.31 0.00 0.00 175.10 174.28 2yuq s PRO 68 N -3.10 2.80 0.40 4.82 0.04 -1.26 -1.34 135.00 137.36 2yuq s PRO 68 Ca 0.24 0.77 0.31 0.00 0.04 0.00 0.00 61.00 62.36 2yuq s PRO 68 Cb -0.06 -4.34 1.32 0.00 0.04 0.00 0.00 34.50 31.46 2yuq s PRO 68 CO 0.11 -2.52 1.33 -1.13 0.04 0.00 0.00 177.00 174.83 2yuq n SER 69 N 12.11 0.14 -0.27 6.66 3.41 -0.97 0.38 113.62 135.07 2yuq n SER 69 Ca 0.21 1.11 0.02 0.00 -0.26 0.00 0.00 58.87 59.94 2yuq n SER 69 Cb 0.51 -0.55 0.09 0.00 -0.26 0.00 0.00 64.21 64.01 2yuq n SER 69 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2yuq h SER 70 N 0.00 -0.73 -0.35 4.04 0.02 -1.88 0.97 113.55 115.61 2yuq h SER 70 Ca 0.76 0.24 -0.03 0.00 -0.84 0.00 0.00 61.79 61.91 2yuq h SER 70 Cb 2.60 0.49 -0.01 0.00 0.14 0.00 0.00 62.40 65.61 2yuq h SER 70 CO -0.31 -0.26 0.08 1.88 -1.14 0.00 0.00 176.83 177.08 2yuq h TYR 71 N -0.00 0.59 -3.17 3.45 -1.99 -0.45 -3.43 116.97 111.96 2yuq h TYR 71 Ca 0.37 -0.07 -0.53 0.00 2.00 0.00 0.00 58.73 60.51 2yuq h TYR 71 Cb 0.57 -0.16 0.03 0.00 2.00 0.00 0.00 36.73 39.16 2yuq h TYR 71 CO -0.62 0.60 0.69 -0.51 -0.00 0.00 0.00 178.16 178.31 2yuq s LEU 72 N -9.63 4.39 -0.05 3.88 1.43 0.33 -1.27 118.68 117.76 2yuq s LEU 72 Ca -0.13 2.35 0.05 0.00 -1.03 0.00 0.00 54.13 55.37 2yuq s LEU 72 Cb 0.09 -3.60 -0.01 0.00 0.03 0.00 0.00 46.19 42.71 2yuq s LEU 72 CO 0.76 -0.59 -0.22 0.68 0.23 0.00 0.00 176.35 177.20 2yuq s VAL 73 N 0.67 1.82 -0.34 -1.59 -7.23 0.12 -4.87 120.40 108.99 2yuq s VAL 73 Ca 0.61 -0.94 -0.36 0.00 -1.81 0.00 0.00 61.98 59.49 2yuq s VAL 73 Cb -0.36 -1.55 -0.12 0.00 0.56 0.00 0.00 36.38 34.91 2yuq s VAL 73 CO 0.34 0.51 2.16 1.21 -0.31 0.00 0.00 175.10 179.00 2yuq n GLU 74 N 3.03 1.10 -2.04 4.82 2.13 -1.26 -1.45 120.64 126.98 2yuq n GLU 74 Ca -0.18 0.31 -0.42 0.00 0.66 0.00 0.00 57.16 57.53 2yuq n GLU 74 Cb 0.52 -2.44 -0.03 0.00 0.27 0.00 0.00 31.44 29.77 2yuq n GLU 74 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 2yuq s LYS 75 N 6.01 4.21 -0.10 5.31 2.36 0.14 -4.89 119.74 132.77 2yuq s LYS 75 Ca 1.09 2.18 -0.25 0.00 -2.55 0.00 0.00 55.97 56.43 2yuq s LYS 75 Cb -0.87 -3.76 0.06 0.00 -1.05 0.00 0.00 37.83 32.21 2yuq s LYS 75 CO 0.50 -0.74 0.60 -1.54 1.55 0.00 0.00 175.35 175.72 2yuq s SER 76 N 2.67 -0.57 0.47 1.43 1.04 -1.26 -4.76 113.70 112.71 2yuq s SER 76 Ca 0.71 0.77 0.26 0.00 0.48 0.00 0.00 55.95 58.18 2yuq s SER 76 Cb -0.35 0.73 1.11 0.00 0.10 0.00 0.00 66.02 67.61 2yuq s SER 76 CO 0.30 -0.46 1.90 1.55 0.98 0.00 0.00 173.24 177.51 2yuq h PRO 77 N 3.81 0.00 -1.99 4.02 0.13 -2.03 -3.44 132.00 132.51 2yuq h PRO 77 Ca -0.28 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.87 2yuq h PRO 77 Cb 1.15 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.07 2yuq h PRO 77 CO 0.31 0.17 0.04 0.54 -0.23 0.00 0.00 178.00 178.83 2yuq s ASN 78 N -6.11 -0.93 0.22 1.44 2.20 -1.26 -5.14 114.94 105.37 2yuq s ASN 78 Ca -0.00 1.50 -0.28 0.00 -0.94 0.00 0.00 52.86 53.14 2yuq s ASN 78 Cb 0.11 1.39 -0.17 0.00 -2.00 0.00 0.00 41.25 40.58 2yuq s ASN 78 CO 0.61 -0.24 0.57 0.59 -2.94 0.00 0.00 177.10 175.69 2yuq n ASN 79 N 4.22 -0.99 -4.63 3.54 3.02 -1.26 -4.85 115.26 114.32 2yuq n ASN 79 Ca -0.20 1.12 -0.35 0.00 -0.03 0.00 0.00 54.58 55.12 2yuq n ASN 79 Cb 0.59 -0.99 0.10 0.00 -0.61 0.00 0.00 39.78 38.86 2yuq n ASN 79 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2yuq n LEU 80 N 1.91 3.61 -3.71 3.41 -0.00 -1.26 -4.99 117.00 115.97 2yuq n LEU 80 Ca 0.17 0.64 -0.28 0.00 -0.00 0.00 0.00 56.01 56.54 2yuq n LEU 80 Cb 0.27 -1.42 -0.11 0.00 -0.00 0.00 0.00 43.42 42.15 2yuq n LEU 80 CO 0.56 -2.01 -0.15 -1.61 -0.00 0.00 0.00 177.39 174.19 2yuq s GLU 81 N -3.51 1.82 -0.17 1.47 2.02 -1.26 -5.05 118.70 114.03 2yuq s GLU 81 Ca 0.73 -2.81 -0.05 0.00 0.02 0.00 0.00 54.97 52.86 2yuq s GLU 81 Cb -0.33 -2.64 0.06 0.00 0.10 0.00 0.00 34.13 31.32 2yuq s GLU 81 CO 0.51 -1.31 0.10 0.95 0.02 0.00 0.00 175.26 175.52 2yuq s THR 82 N -0.78 -0.10 -0.04 3.63 -4.23 -1.26 -5.13 115.64 107.74 2yuq s THR 82 Ca 0.27 -0.13 -0.00 0.00 -1.18 0.00 0.00 61.69 60.65 2yuq s THR 82 Cb -0.03 -0.56 0.03 0.00 1.34 0.00 0.00 72.50 73.28 2yuq s THR 82 CO -0.16 -0.25 0.01 -0.31 -0.54 0.00 0.00 174.62 173.36 2yuq s TYR 83 N 2.15 0.36 -0.72 3.99 1.51 -1.26 -5.10 117.35 118.28 2yuq s TYR 83 Ca 0.02 0.00 -0.04 0.00 -1.01 0.00 0.00 57.07 56.05 2yuq s TYR 83 Cb -0.16 -0.50 0.18 0.00 -0.11 0.00 0.00 41.96 41.37 2yuq s TYR 83 CO -0.09 -0.18 0.56 -2.00 -1.11 0.00 0.00 175.55 172.74 2yuq s GLU 84 N 1.37 2.86 0.00 -0.62 2.12 -1.26 -5.36 118.70 117.81 2yuq s GLU 84 Ca -0.05 -2.72 0.26 0.00 0.36 0.00 0.00 54.97 52.82 2yuq s GLU 84 Cb -0.13 -3.87 0.57 0.00 0.26 0.00 0.00 34.13 30.96 2yuq s GLU 84 CO -0.02 -1.21 1.47 -2.67 -0.54 0.00 0.00 175.26 172.29