#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yuq n SER 2 N 0.00 0.76 -3.85 1.61 7.64 -1.26 -4.93 113.62 113.59 2yuq n SER 2 Ca 0.00 -1.26 -0.15 0.00 1.01 0.00 0.00 58.87 58.47 2yuq n SER 2 Cb 0.00 -1.68 -0.15 0.00 -1.01 0.00 0.00 64.21 61.37 2yuq n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2yuq s SER 3 N -4.34 0.26 0.00 6.43 1.04 -1.26 -5.15 113.70 110.69 2yuq s SER 3 Ca 0.04 -0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.45 2yuq s SER 3 Cb -0.02 -0.09 0.00 0.00 0.10 0.00 0.00 66.02 66.00 2yuq s SER 3 CO 0.99 -0.04 0.00 0.61 0.98 0.00 0.00 173.24 175.78 2yuq n GLY 4 N 3.57 0.47 2.92 7.32 0.00 -1.26 -5.15 105.19 113.05 2yuq n GLY 4 Ca -0.20 -0.77 -0.25 0.00 0.00 0.00 0.00 46.02 44.80 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 0.00 1.93 -0.22 1.61 0.15 -1.26 -5.11 113.70 110.80 2yuq s SER 5 Ca 0.00 -0.27 -0.05 0.00 0.70 0.00 0.00 55.95 56.33 2yuq s SER 5 Cb 0.00 -0.77 0.11 0.00 -1.71 0.00 0.00 66.02 63.65 2yuq s SER 5 CO 0.00 -0.09 0.41 -0.44 1.20 0.00 0.00 173.24 174.32 2yuq s SER 6 N 1.43 -0.12 0.00 5.45 0.01 -1.26 -5.04 113.70 114.18 2yuq s SER 6 Ca -0.01 0.70 0.00 0.00 1.31 0.00 0.00 55.95 57.95 2yuq s SER 6 Cb -0.13 1.30 0.00 0.00 0.21 0.00 0.00 66.02 67.39 2yuq s SER 6 CO -0.05 -0.26 0.00 0.61 0.41 0.00 0.00 173.24 173.96 2yuq n GLY 7 N 5.38 0.73 3.28 3.44 0.00 -1.26 -5.18 105.19 111.59 2yuq n GLY 7 Ca -0.06 -0.49 -0.10 0.00 0.00 0.00 0.00 46.02 45.37 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 0.00 0.99 0.07 1.61 0.41 -1.26 -5.18 118.70 115.34 2yuq s GLU 8 Ca 0.00 -0.85 0.04 0.00 -0.41 0.00 0.00 54.97 53.75 2yuq s GLU 8 Cb 0.00 0.41 -0.03 0.00 -1.78 0.00 0.00 34.13 32.73 2yuq s GLU 8 CO 0.00 -0.36 -0.10 0.16 -0.49 0.00 0.00 175.26 174.47 2yuq s ASP 9 N -2.84 1.32 -0.91 -0.19 1.47 -1.26 -5.08 116.67 109.18 2yuq s ASP 9 Ca 0.05 -0.68 -0.24 0.00 1.18 0.00 0.00 52.55 52.86 2yuq s ASP 9 Cb 0.03 0.00 0.02 0.00 -0.34 0.00 0.00 42.92 42.63 2yuq s ASP 9 CO -0.11 -0.20 1.55 0.21 0.68 0.00 0.00 175.17 177.31 2yuq s ASN 10 N -1.98 6.05 0.30 2.11 3.84 -1.26 -4.98 114.94 119.03 2yuq s ASN 10 Ca -0.01 -0.95 -0.29 0.00 0.21 0.00 0.00 52.86 51.82 2yuq s ASN 10 Cb -0.07 -2.56 -0.10 0.00 -0.55 0.00 0.00 41.25 37.97 2yuq s ASN 10 CO 0.01 -1.90 1.12 -0.60 -2.79 0.00 0.00 177.10 172.94 2yuq s ARG 11 N 5.71 4.54 -0.04 0.43 3.52 -1.26 -5.05 118.95 126.80 2yuq s ARG 11 Ca 0.50 1.82 -0.11 0.00 -0.13 0.00 0.00 55.73 57.82 2yuq s ARG 11 Cb -0.04 -3.09 0.02 0.00 -1.56 0.00 0.00 34.95 30.28 2yuq s ARG 11 CO -0.01 0.11 0.25 1.03 -0.81 0.00 0.00 175.30 175.87 2yuq s ARG 12 N -1.62 0.48 0.48 5.12 0.52 -1.26 -5.16 118.95 117.51 2yuq s ARG 12 Ca 0.47 -0.02 -0.22 0.00 -0.52 0.00 0.00 55.73 55.43 2yuq s ARG 12 Cb -0.32 0.21 -0.07 0.00 0.52 0.00 0.00 34.95 35.30 2yuq s ARG 12 CO 0.41 -0.11 1.16 -1.25 0.02 0.00 0.00 175.30 175.53 2yuq s PRO 13 N -0.76 3.67 -0.12 3.54 0.04 -1.26 -5.00 135.00 135.12 2yuq s PRO 13 Ca -0.08 1.73 -0.07 0.00 0.04 0.00 0.00 61.00 62.62 2yuq s PRO 13 Cb -0.05 -2.32 -0.06 0.00 0.04 0.00 0.00 34.50 32.12 2yuq s PRO 13 CO 0.02 -0.61 0.11 -0.07 0.04 0.00 0.00 177.00 176.48 2yuq h LEU 14 N 1.86 0.00 0.00 -3.56 4.07 -2.06 -3.48 115.31 112.15 2yuq h LEU 14 Ca -0.49 -0.19 -0.39 0.00 0.08 0.00 0.00 57.88 56.89 2yuq h LEU 14 Cb 1.25 0.00 0.08 0.00 1.08 0.00 0.00 40.66 43.07 2yuq h LEU 14 CO 0.59 0.67 0.11 0.79 -1.08 0.00 0.00 178.44 179.53 2yuq n TRP 15 N -4.71 -3.07 -4.29 1.13 7.02 -1.26 -5.12 117.44 107.14 2yuq n TRP 15 Ca -0.04 -1.45 -0.29 0.00 -1.02 0.00 0.00 57.50 54.70 2yuq n TRP 15 Cb 0.16 -0.63 -0.11 0.00 -2.42 0.00 0.00 31.31 28.31 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 -4.72 1.89 0.00 -0.99 2.02 -1.26 -5.01 118.70 110.63 2yuq s GLU 16 Ca 0.56 -1.19 0.15 0.00 0.02 0.00 0.00 54.97 54.51 2yuq s GLU 16 Cb -0.03 -2.14 0.85 0.00 0.10 0.00 0.00 34.13 32.91 2yuq s GLU 16 CO 0.37 0.47 1.38 -0.35 0.02 0.00 0.00 175.26 177.15 2yuq n PRO 17 N 0.57 0.37 -0.05 0.39 -0.04 -1.26 -2.80 135.00 132.18 2yuq n PRO 17 Ca -0.14 0.06 -0.22 0.00 -0.04 0.00 0.00 63.50 63.17 2yuq n PRO 17 Cb 0.53 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.37 2yuq n PRO 17 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2yuq n GLU 18 N -1.13 0.68 -2.62 0.54 0.28 -1.26 -4.85 120.64 112.28 2yuq n GLU 18 Ca 0.10 0.33 -0.43 0.00 -0.16 0.00 0.00 57.16 56.99 2yuq n GLU 18 Cb 0.08 -1.67 -0.02 0.00 1.43 0.00 0.00 31.44 31.26 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 -2.50 4.14 -0.56 3.44 2.02 -1.12 -4.94 118.70 119.19 2yuq s GLU 19 Ca -0.27 1.22 -0.29 0.00 0.02 0.00 0.00 54.97 55.64 2yuq s GLU 19 Cb 0.07 -3.71 -0.11 0.00 0.10 0.00 0.00 34.13 30.48 2yuq s GLU 19 CO 0.67 -0.81 2.42 2.41 0.02 0.00 0.00 175.26 179.98 2yuq n THR 20 N 5.66 0.02 -4.11 3.63 -1.04 -1.26 -4.73 114.28 112.46 2yuq n THR 20 Ca 0.12 -0.48 -0.35 0.00 -2.04 0.00 0.00 64.05 61.31 2yuq n THR 20 Cb 0.47 -2.01 -0.09 0.00 -1.82 0.00 0.00 70.33 66.87 2yuq n THR 20 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2yuq s VAL 21 N 10.16 4.74 0.26 12.58 1.01 -1.26 -2.54 120.40 145.34 2yuq s VAL 21 Ca 1.09 -0.07 0.11 0.00 0.00 0.00 0.00 61.98 63.12 2yuq s VAL 21 Cb -0.58 -3.08 -0.05 0.00 0.00 0.00 0.00 36.38 32.67 2yuq s VAL 21 CO 0.37 0.53 -0.19 0.68 0.00 0.00 0.00 175.10 176.49 2yuq s VAL 22 N -0.24 2.31 0.06 2.92 -7.23 0.15 -1.37 120.40 117.00 2yuq s VAL 22 Ca 0.08 -2.35 0.07 0.00 -1.81 0.00 0.00 61.98 57.97 2yuq s VAL 22 Cb -0.12 -2.23 -0.03 0.00 0.56 0.00 0.00 36.38 34.56 2yuq s VAL 22 CO 0.02 -0.43 -0.20 -0.63 -0.31 0.00 0.00 175.10 173.55 2yuq s ILE 23 N -2.57 1.58 -0.16 -0.62 1.09 -0.20 0.47 121.20 120.79 2yuq s ILE 23 Ca 0.28 -1.28 -0.20 0.00 -1.10 0.00 0.00 60.65 58.36 2yuq s ILE 23 Cb -0.04 -1.40 -0.03 0.00 -1.06 0.00 0.00 42.46 39.92 2yuq s ILE 23 CO 0.13 0.08 0.56 0.00 -0.10 0.00 0.00 174.94 175.61 2yuq s ALA 24 N -0.93 3.50 0.24 9.38 0.00 -0.95 -0.29 121.76 132.70 2yuq s ALA 24 Ca 0.06 -0.24 0.07 0.00 0.00 0.00 0.00 51.96 51.85 2yuq s ALA 24 Cb -0.09 -2.82 0.25 0.00 0.00 0.00 0.00 23.12 20.45 2yuq s ALA 24 CO 0.02 -0.30 1.55 -0.07 0.00 0.00 0.00 175.76 176.97 2yuq h LEU 25 N 7.50 0.13 -8.79 0.00 3.38 -1.39 -3.03 115.31 113.10 2yuq h LEU 25 Ca -0.36 -0.08 -0.33 0.00 0.09 0.00 0.00 57.88 57.20 2yuq h LEU 25 Cb 1.16 -0.04 -0.14 0.00 0.09 0.00 0.00 40.66 41.73 2yuq h LEU 25 CO 0.76 0.75 -0.64 -0.31 0.09 0.00 0.00 178.44 179.09 2yuq s TYR 26 N -3.57 1.41 -0.86 1.13 2.02 -1.26 -4.76 117.35 111.46 2yuq s TYR 26 Ca -0.02 -1.07 -0.20 0.00 -0.37 0.00 0.00 57.07 55.40 2yuq s TYR 26 Cb 0.12 -0.82 0.10 0.00 -0.40 0.00 0.00 41.96 40.97 2yuq s TYR 26 CO 0.79 -0.23 1.11 0.16 -1.57 0.00 0.00 175.55 175.81 2yuq s ASP 27 N -3.25 6.47 0.52 2.29 1.47 -1.26 -4.02 116.67 118.89 2yuq s ASP 27 Ca 0.30 -1.66 -0.20 0.00 1.18 0.00 0.00 52.55 52.18 2yuq s ASP 27 Cb 0.07 -2.42 -0.07 0.00 -0.34 0.00 0.00 42.92 40.16 2yuq s ASP 27 CO 0.09 -1.23 1.11 -0.47 0.68 0.00 0.00 175.17 175.35 2yuq s TYR 28 N 3.36 2.77 -0.01 2.11 5.04 -0.96 -4.91 117.35 124.75 2yuq s TYR 28 Ca 0.31 1.55 0.03 0.00 -2.44 0.00 0.00 57.07 56.52 2yuq s TYR 28 Cb -0.08 -3.24 -0.01 0.00 0.35 0.00 0.00 41.96 38.98 2yuq s TYR 28 CO -0.03 -1.38 -0.10 -0.65 -1.34 0.00 0.00 175.55 172.04 2yuq s GLN 29 N -3.22 0.87 -0.01 4.97 -0.21 -1.26 -3.35 119.66 117.44 2yuq s GLN 29 Ca 0.71 -0.36 -0.23 0.00 0.02 0.00 0.00 55.36 55.49 2yuq s GLN 29 Cb -0.22 -0.83 0.05 0.00 1.00 0.00 0.00 33.01 33.00 2yuq s GLN 29 CO 0.26 0.21 0.50 -0.08 -2.12 0.00 0.00 175.29 174.06 2yuq s THR 30 N -0.18 0.03 -0.29 -0.19 -1.32 -1.26 -4.96 115.64 107.47 2yuq s THR 30 Ca 0.03 -0.25 0.08 0.00 -1.21 0.00 0.00 61.69 60.34 2yuq s THR 30 Cb -0.05 -0.86 0.46 0.00 -1.51 0.00 0.00 72.50 70.54 2yuq s THR 30 CO -0.00 -0.14 1.19 0.59 -2.21 0.00 0.00 174.62 174.05 2yuq n ASN 31 N 0.90 4.71 -4.17 8.08 3.02 -1.26 -4.77 115.26 121.77 2yuq n ASN 31 Ca -0.20 -3.71 -0.24 0.00 -0.03 0.00 0.00 54.58 50.40 2yuq n ASN 31 Cb 0.57 -0.35 -0.15 0.00 -0.61 0.00 0.00 39.78 39.24 2yuq n ASN 31 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2yuq s ASP 32 N -3.59 2.01 0.53 6.41 -1.08 -1.26 -5.03 116.67 114.67 2yuq s ASP 32 Ca 0.50 -0.35 0.32 0.00 -0.52 0.00 0.00 52.55 52.50 2yuq s ASP 32 Cb 0.41 -0.21 1.33 0.00 -1.46 0.00 0.00 42.92 42.99 2yuq s ASP 32 CO 0.03 0.19 1.98 1.55 0.52 0.00 0.00 175.17 179.44 2yuq h PRO 33 N 5.55 0.00 0.07 4.34 0.13 -1.99 -2.93 132.00 137.16 2yuq h PRO 33 Ca -0.37 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.49 2yuq h PRO 33 Cb 1.15 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.27 2yuq h PRO 33 CO 0.47 0.05 -1.35 1.96 -0.23 0.00 0.00 178.00 178.91 2yuq h GLN 34 N 0.00 0.14 -6.20 0.86 1.08 -1.95 -3.47 115.11 105.57 2yuq h GLN 34 Ca -0.00 -0.24 -0.48 0.00 -1.45 0.00 0.00 58.65 56.47 2yuq h GLN 34 Cb 0.53 0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 28.03 2yuq h GLN 34 CO 0.01 1.01 -0.40 -1.21 -0.95 0.00 0.00 178.83 177.28 2yuq s GLU 35 N -2.65 3.45 -0.00 1.46 8.01 -1.11 -0.76 118.70 127.10 2yuq s GLU 35 Ca -0.05 -0.65 0.08 0.00 0.01 0.00 0.00 54.97 54.36 2yuq s GLU 35 Cb 0.08 -2.88 -0.02 0.00 -4.31 0.00 0.00 34.13 27.00 2yuq s GLU 35 CO 0.84 0.41 -0.25 -1.17 0.01 0.00 0.00 175.26 175.11 2yuq s LEU 36 N -3.83 2.08 -0.58 1.80 2.96 -1.20 -4.61 118.68 115.30 2yuq s LEU 36 Ca 0.35 -0.48 -0.22 0.00 -0.22 0.00 0.00 54.13 53.56 2yuq s LEU 36 Cb -0.10 -1.28 0.06 0.00 0.50 0.00 0.00 46.19 45.37 2yuq s LEU 36 CO 0.30 0.29 0.86 0.00 -1.32 0.00 0.00 176.35 176.48 2yuq s ALA 37 N -0.64 3.22 0.88 5.97 0.00 -1.26 -4.70 121.76 125.22 2yuq s ALA 37 Ca 0.10 -1.65 -0.10 0.00 0.00 0.00 0.00 51.96 50.31 2yuq s ALA 37 Cb -0.10 -3.68 0.12 0.00 0.00 0.00 0.00 23.12 19.47 2yuq s ALA 37 CO -0.00 -2.43 1.13 -0.51 0.00 0.00 0.00 175.76 173.94 2yuq s LEU 38 N 3.59 2.85 0.05 0.00 1.43 -1.21 -4.85 118.68 120.53 2yuq s LEU 38 Ca 0.22 2.06 0.09 0.00 -1.03 0.00 0.00 54.13 55.47 2yuq s LEU 38 Cb -0.17 -4.52 -0.03 0.00 0.03 0.00 0.00 46.19 41.50 2yuq s LEU 38 CO 0.13 -2.82 -0.23 -0.60 0.23 0.00 0.00 176.35 173.06 2yuq s ARG 39 N -4.72 1.88 -0.04 1.70 3.52 -1.26 -2.25 118.95 117.77 2yuq s ARG 39 Ca 0.65 -1.08 -0.30 0.00 -0.13 0.00 0.00 55.73 54.87 2yuq s ARG 39 Cb -0.21 -2.06 -0.05 0.00 -1.56 0.00 0.00 34.95 31.07 2yuq s ARG 39 CO 0.58 0.52 1.52 0.50 -0.81 0.00 0.00 175.30 177.60 2yuq s ARG 40 N -1.39 4.22 -0.38 5.12 3.52 -1.26 -2.70 118.95 126.09 2yuq s ARG 40 Ca 0.13 2.06 -0.02 0.00 -0.13 0.00 0.00 55.73 57.76 2yuq s ARG 40 Cb -0.10 -3.80 0.00 0.00 -1.56 0.00 0.00 34.95 29.49 2yuq s ARG 40 CO 0.04 -0.74 0.30 0.09 -0.81 0.00 0.00 175.30 174.18 2yuq n ASN 41 N 6.41 -3.15 -4.11 -2.12 3.02 -1.15 -4.97 115.26 109.19 2yuq n ASN 41 Ca 0.15 -0.14 -0.22 0.00 -0.03 0.00 0.00 54.58 54.34 2yuq n ASN 41 Cb 0.43 -1.74 -0.15 0.00 -0.61 0.00 0.00 39.78 37.71 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 -5.28 1.15 0.30 3.52 0.41 -1.10 -5.00 118.70 112.71 2yuq s GLU 42 Ca 0.15 -0.52 -0.06 0.00 -0.41 0.00 0.00 54.97 54.13 2yuq s GLU 42 Cb -0.07 -1.11 -0.05 0.00 -1.78 0.00 0.00 34.13 31.12 2yuq s GLU 42 CO 0.19 0.30 0.58 -1.21 -0.49 0.00 0.00 175.26 174.63 2yuq s GLU 43 N -0.36 3.65 -0.07 1.61 8.01 -1.26 -2.24 118.70 128.04 2yuq s GLU 43 Ca 0.05 0.07 -0.11 0.00 0.01 0.00 0.00 54.97 54.99 2yuq s GLU 43 Cb -0.06 -2.61 0.02 0.00 -4.31 0.00 0.00 34.13 27.17 2yuq s GLU 43 CO -0.00 0.19 0.27 0.71 0.01 0.00 0.00 175.26 176.43 2yuq s TYR 44 N -2.11 -0.23 -0.04 1.61 1.51 0.18 -4.63 117.35 113.63 2yuq s TYR 44 Ca 0.45 0.52 -0.21 0.00 -1.01 0.00 0.00 57.07 56.82 2yuq s TYR 44 Cb -0.11 0.09 -0.05 0.00 -0.11 0.00 0.00 41.96 41.78 2yuq s TYR 44 CO 0.30 -0.23 0.62 0.00 -1.11 0.00 0.00 175.55 175.12 2yuq s LEU 46 N 0.23 3.95 -0.13 0.00 2.96 -1.05 -0.09 118.68 124.54 2yuq s LEU 46 Ca 0.33 0.39 -0.12 0.00 -0.22 0.00 0.00 54.13 54.51 2yuq s LEU 46 Cb -0.18 -3.28 -0.10 0.00 0.50 0.00 0.00 46.19 43.13 2yuq s LEU 46 CO 0.17 -0.99 0.19 -0.07 -1.32 0.00 0.00 176.35 174.33 2yuq h LEU 47 N 10.43 0.00 -7.12 -0.68 3.38 -0.83 -3.47 115.31 117.02 2yuq h LEU 47 Ca -0.23 -0.32 -0.07 0.00 0.09 0.00 0.00 57.88 57.34 2yuq h LEU 47 Cb 1.07 0.00 -0.26 0.00 0.09 0.00 0.00 40.66 41.57 2yuq h LEU 47 CO 1.02 0.80 -0.29 -1.81 0.09 0.00 0.00 178.44 178.24 2yuq s ASP 48 N -5.91 -0.47 -0.63 -0.43 1.01 -0.93 -5.03 116.67 104.27 2yuq s ASP 48 Ca -0.11 1.07 -0.01 0.00 0.71 0.00 0.00 52.55 54.21 2yuq s ASP 48 Cb 0.00 1.32 0.47 0.00 1.01 0.00 0.00 42.92 45.72 2yuq s ASP 48 CO 0.29 -0.22 1.98 -1.20 0.21 0.00 0.00 175.17 176.23 2yuq n SER 49 N 5.04 7.26 -0.32 0.27 7.64 -1.26 -0.77 113.62 131.47 2yuq n SER 49 Ca -0.13 -3.78 -0.00 0.00 1.01 0.00 0.00 58.87 55.97 2yuq n SER 49 Cb 0.52 -0.93 0.06 0.00 -1.01 0.00 0.00 64.21 62.84 2yuq n SER 49 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 2yuq h SER 50 N 1.93 -1.16 -3.42 6.43 0.87 -1.96 -3.40 113.55 112.83 2yuq h SER 50 Ca 0.60 0.28 -0.48 0.00 -1.23 0.00 0.00 61.79 60.96 2yuq h SER 50 Cb 1.00 0.64 0.04 0.00 -0.44 0.00 0.00 62.40 63.65 2yuq h SER 50 CO 1.51 -0.29 0.09 -1.61 -0.53 0.00 0.00 176.83 176.00 2yuq s GLU 51 N -6.06 3.14 -0.17 2.24 8.01 -1.23 -5.04 118.70 119.58 2yuq s GLU 51 Ca -0.14 -0.06 -0.17 0.00 0.01 0.00 0.00 54.97 54.61 2yuq s GLU 51 Cb 0.21 -2.37 -0.13 0.00 -4.31 0.00 0.00 34.13 27.52 2yuq s GLU 51 CO 0.73 -0.45 0.12 0.82 0.01 0.00 0.00 175.26 176.49 2yuq h ILE 52 N 0.08 0.64 -0.08 -1.63 2.04 -2.01 -3.40 117.51 113.15 2yuq h ILE 52 Ca -0.46 -1.74 -0.19 0.00 1.00 0.00 0.00 64.86 63.46 2yuq h ILE 52 Cb 1.24 1.48 -0.00 0.00 -0.74 0.00 0.00 36.82 38.79 2yuq h ILE 52 CO 0.60 0.22 -0.75 0.45 0.00 0.00 0.00 178.15 178.67 2yuq h HIS 53 N -1.00 0.62 -3.50 1.37 3.86 -1.96 -3.42 115.15 111.11 2yuq h HIS 53 Ca -0.19 -0.28 -0.65 0.00 -1.16 0.00 0.00 60.37 58.10 2yuq h HIS 53 Cb 0.94 -0.09 -0.23 0.00 1.06 0.00 0.00 27.41 29.08 2yuq h HIS 53 CO 0.01 1.05 -0.65 -1.58 0.86 0.00 0.00 177.93 177.61 2yuq s TRP 54 N -3.60 3.05 0.02 2.45 0.52 -1.26 -2.03 118.94 118.09 2yuq s TRP 54 Ca -0.06 -0.51 0.07 0.00 0.02 0.00 0.00 56.10 55.62 2yuq s TRP 54 Cb 0.10 -2.15 -0.03 0.00 -1.15 0.00 0.00 33.47 30.24 2yuq s TRP 54 CO 0.85 -0.33 -0.20 -1.58 0.02 0.00 0.00 176.95 175.71 2yuq s TRP 55 N 1.31 2.50 -0.28 -1.98 0.52 -0.09 -3.47 118.94 117.45 2yuq s TRP 55 Ca 0.04 -0.30 -0.16 0.00 0.02 0.00 0.00 56.10 55.71 2yuq s TRP 55 Cb -0.15 -1.48 -0.03 0.00 -1.15 0.00 0.00 33.47 30.67 2yuq s TRP 55 CO 0.02 0.18 0.42 0.50 0.02 0.00 0.00 176.95 178.09 2yuq s ARG 56 N -1.20 3.98 0.33 4.98 3.52 0.05 -1.55 118.95 129.05 2yuq s ARG 56 Ca 0.13 0.07 0.03 0.00 -0.13 0.00 0.00 55.73 55.83 2yuq s ARG 56 Cb -0.10 -3.67 -0.05 0.00 -1.56 0.00 0.00 34.95 29.57 2yuq s ARG 56 CO 0.03 -0.33 0.09 0.14 -0.81 0.00 0.00 175.30 174.42 2yuq s VAL 57 N 2.15 0.81 -0.05 7.11 -7.23 -1.25 -0.12 120.40 121.82 2yuq s VAL 57 Ca 0.17 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.32 2yuq s VAL 57 Cb -0.16 -2.62 0.03 0.00 0.56 0.00 0.00 36.38 34.19 2yuq s VAL 57 CO 0.10 0.00 0.03 -1.58 -0.31 0.00 0.00 175.10 173.34 2yuq s GLN 58 N -3.88 0.18 1.09 4.82 0.74 0.87 -3.35 119.66 120.12 2yuq s GLN 58 Ca 0.34 0.25 -0.12 0.00 0.05 0.00 0.00 55.36 55.87 2yuq s GLN 58 Cb 0.07 -0.63 0.24 0.00 1.10 0.00 0.00 33.01 33.78 2yuq s GLN 58 CO 0.15 -0.29 1.06 0.34 -0.55 0.00 0.00 175.29 176.00 2yuq s ASP 59 N 1.90 1.66 0.32 6.67 2.15 -0.35 -2.32 116.67 126.71 2yuq s ASP 59 Ca 0.02 1.48 0.02 0.00 0.43 0.00 0.00 52.55 54.51 2yuq s ASP 59 Cb -0.12 -2.21 0.60 0.00 -0.30 0.00 0.00 42.92 40.89 2yuq s ASP 59 CO -0.03 -3.77 1.93 -0.09 -0.17 0.00 0.00 175.17 173.03 2yuq h ARG 60 N -2.33 0.92 -0.05 4.34 9.65 -1.91 -2.59 114.38 122.41 2yuq h ARG 60 Ca -0.58 -0.06 -0.08 0.00 -1.10 0.00 0.00 59.98 58.17 2yuq h ARG 60 Cb 1.32 -0.21 0.00 0.00 -1.39 0.00 0.00 29.97 29.70 2yuq h ARG 60 CO 0.52 0.61 -0.28 -0.91 2.80 0.00 0.00 179.97 182.70 2yuq h ASN 61 N 0.94 0.33 0.00 -3.80 2.35 -1.99 -3.47 115.58 109.94 2yuq h ASN 61 Ca 0.36 -0.67 0.00 0.00 -0.55 0.00 0.00 56.30 55.44 2yuq h ASN 61 Cb 0.21 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.48 2yuq h ASN 61 CO -0.13 0.95 0.00 0.61 -1.65 0.00 0.00 177.43 177.21 2yuq n GLY 62 N 0.75 0.03 3.48 2.83 0.00 -0.97 -5.13 105.19 106.18 2yuq n GLY 62 Ca -0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.03 3.23 0.33 1.61 3.76 -1.26 -4.80 115.29 118.12 2yuq s HIS 63 Ca 0.00 -0.48 0.07 0.00 -0.15 0.00 0.00 55.06 54.50 2yuq s HIS 63 Cb 0.00 -2.63 -0.03 0.00 1.11 0.00 0.00 32.58 31.03 2yuq s HIS 63 CO 0.00 -0.57 0.29 -1.21 -0.85 0.00 0.00 174.74 172.39 2yuq s GLU 64 N 1.78 2.73 0.00 1.40 2.02 -1.26 -1.21 118.70 124.17 2yuq s GLU 64 Ca 0.07 -1.28 0.00 0.00 0.02 0.00 0.00 54.97 53.77 2yuq s GLU 64 Cb -0.18 -2.48 0.00 0.00 0.10 0.00 0.00 34.13 31.57 2yuq s GLU 64 CO 0.11 0.11 0.00 0.41 0.02 0.00 0.00 175.26 175.91 2yuq n GLY 65 N -1.36 3.39 3.65 -1.39 0.00 -1.21 -4.56 105.19 103.71 2yuq n GLY 65 Ca -0.02 -0.68 -0.42 0.00 0.00 0.00 0.00 46.02 44.90 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 1.76 0.13 1.61 2.02 0.06 -3.94 117.35 116.99 2yuq s TYR 66 Ca 0.00 0.15 0.09 0.00 -0.37 0.00 0.00 57.07 56.94 2yuq s TYR 66 Cb 0.00 -4.01 -0.04 0.00 -0.40 0.00 0.00 41.96 37.51 2yuq s TYR 66 CO 0.00 -4.08 -0.23 0.14 -1.57 0.00 0.00 175.55 169.81 2yuq s VAL 67 N 4.80 1.95 -0.53 0.71 -7.23 -0.60 -3.21 120.40 116.30 2yuq s VAL 67 Ca 0.79 -1.71 -0.27 0.00 -1.81 0.00 0.00 61.98 58.98 2yuq s VAL 67 Cb -0.34 -1.79 -0.02 0.00 0.56 0.00 0.00 36.38 34.80 2yuq s VAL 67 CO 0.33 -0.06 1.81 -2.16 -0.31 0.00 0.00 175.10 174.71 2yuq s PRO 68 N -2.16 2.86 0.46 4.82 0.04 -1.26 -0.91 135.00 138.85 2yuq s PRO 68 Ca 0.11 0.82 0.37 0.00 0.04 0.00 0.00 61.00 62.34 2yuq s PRO 68 Cb -0.09 -4.32 1.53 0.00 0.04 0.00 0.00 34.50 31.66 2yuq s PRO 68 CO 0.06 -2.44 1.53 -1.13 0.04 0.00 0.00 177.00 175.06 2yuq n SER 69 N 11.88 0.15 -0.27 6.66 3.41 -0.86 0.22 113.62 134.82 2yuq n SER 69 Ca 0.21 1.26 0.04 0.00 -0.26 0.00 0.00 58.87 60.12 2yuq n SER 69 Cb 0.51 -0.62 0.14 0.00 -0.26 0.00 0.00 64.21 63.97 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 -0.52 -0.29 4.04 0.02 -1.88 0.42 113.55 115.34 2yuq h SER 70 Ca 0.88 0.22 -0.06 0.00 -0.84 0.00 0.00 61.79 61.99 2yuq h SER 70 Cb 3.04 0.41 -0.01 0.00 0.14 0.00 0.00 62.40 65.98 2yuq h SER 70 CO -0.34 -0.23 -0.04 1.88 -1.14 0.00 0.00 176.83 176.96 2yuq h TYR 71 N 0.05 0.59 -3.98 3.45 -1.99 -0.59 -3.44 116.97 111.06 2yuq h TYR 71 Ca 0.41 -0.12 -0.52 0.00 2.00 0.00 0.00 58.73 60.50 2yuq h TYR 71 Cb 0.69 -0.15 0.08 0.00 2.00 0.00 0.00 36.73 39.35 2yuq h TYR 71 CO -0.51 0.71 0.55 -0.51 -0.00 0.00 0.00 178.16 178.40 2yuq s LEU 72 N -9.37 4.09 -0.07 3.88 1.43 0.14 -1.02 118.68 117.77 2yuq s LEU 72 Ca -0.13 2.49 -0.04 0.00 -1.03 0.00 0.00 54.13 55.41 2yuq s LEU 72 Cb 0.08 -4.09 0.03 0.00 0.03 0.00 0.00 46.19 42.24 2yuq s LEU 72 CO 0.77 -0.93 0.16 0.68 0.23 0.00 0.00 176.35 177.26 2yuq s VAL 73 N -1.39 -0.03 -0.20 -1.59 -7.23 0.60 -4.87 120.40 105.69 2yuq s VAL 73 Ca 0.61 0.10 -0.31 0.00 -1.81 0.00 0.00 61.98 60.57 2yuq s VAL 73 Cb -0.34 -0.25 -0.08 0.00 0.56 0.00 0.00 36.38 36.27 2yuq s VAL 73 CO 0.42 0.04 2.13 1.21 -0.31 0.00 0.00 175.10 178.59 2yuq n GLU 74 N 3.71 1.88 -1.29 4.82 2.13 -1.26 -1.03 120.64 129.60 2yuq n GLU 74 Ca -0.21 0.58 -0.60 0.00 0.66 0.00 0.00 57.16 57.60 2yuq n GLU 74 Cb 0.55 -2.91 -0.11 0.00 0.27 0.00 0.00 31.44 29.23 2yuq n GLU 74 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 2yuq n LYS 75 N 8.10 0.10 -1.25 5.31 3.00 -0.47 -4.79 118.16 128.15 2yuq n LYS 75 Ca 0.30 0.03 -0.38 0.00 -0.00 0.00 0.00 58.31 58.26 2yuq n LYS 75 Cb 0.36 -1.58 0.03 0.00 0.00 0.00 0.00 35.03 33.84 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 7.53 -3.07 0.02 3.14 3.41 -1.26 -4.87 113.62 118.50 2yuq n SER 76 Ca 0.53 0.59 -0.06 0.00 -0.26 0.00 0.00 58.87 59.66 2yuq n SER 76 Cb -0.02 -0.96 0.12 0.00 -0.26 0.00 0.00 64.21 63.09 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 -0.17 0.49 -6.40 4.33 0.13 -2.03 -3.43 132.00 124.91 2yuq h PRO 77 Ca -0.43 -0.26 -0.54 0.00 -0.87 0.00 0.00 66.00 63.90 2yuq h PRO 77 Cb 1.40 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.53 2yuq h PRO 77 CO 0.40 0.83 0.63 -0.80 -0.23 0.00 0.00 178.00 178.83 2yuq s ASN 78 N -6.87 7.07 -0.62 1.44 -0.87 -1.26 -4.98 114.94 108.85 2yuq s ASN 78 Ca -0.07 1.92 -0.25 0.00 -1.57 0.00 0.00 52.86 52.89 2yuq s ASN 78 Cb 0.12 -2.57 0.05 0.00 -0.02 0.00 0.00 41.25 38.83 2yuq s ASN 78 CO 0.81 -0.52 1.05 0.54 -2.57 0.00 0.00 177.10 176.41 2yuq s ASN 79 N 1.29 6.27 0.34 -1.22 2.20 -1.26 -5.02 114.94 117.53 2yuq s ASN 79 Ca 0.57 -0.48 -0.09 0.00 -0.94 0.00 0.00 52.86 51.92 2yuq s ASN 79 Cb -0.27 -2.47 -0.06 0.00 -2.00 0.00 0.00 41.25 36.44 2yuq s ASN 79 CO 0.26 -1.45 0.67 -0.22 -2.94 0.00 0.00 177.10 173.42 2yuq s LEU 80 N 4.48 3.97 -0.84 3.54 2.96 -1.26 -5.01 118.68 126.53 2yuq s LEU 80 Ca 0.31 0.98 -0.25 0.00 -0.22 0.00 0.00 54.13 54.95 2yuq s LEU 80 Cb -0.12 -3.82 0.03 0.00 0.50 0.00 0.00 46.19 42.78 2yuq s LEU 80 CO 0.17 -0.27 1.38 -0.70 -1.32 0.00 0.00 176.35 175.61 2yuq s GLU 81 N -3.53 3.30 0.42 1.98 2.12 -1.26 -5.00 118.70 116.74 2yuq s GLU 81 Ca 0.49 -0.53 -0.09 0.00 0.36 0.00 0.00 54.97 55.20 2yuq s GLU 81 Cb -0.11 -4.64 -0.06 0.00 0.26 0.00 0.00 34.13 29.59 2yuq s GLU 81 CO 0.28 -2.22 0.77 0.95 -0.54 0.00 0.00 175.26 174.50 2yuq s THR 82 N 5.70 4.82 -0.12 -1.70 -4.23 -1.26 -5.01 115.64 113.84 2yuq s THR 82 Ca 0.41 0.51 -0.29 0.00 -1.18 0.00 0.00 61.69 61.13 2yuq s THR 82 Cb -0.05 -3.77 -0.04 0.00 1.34 0.00 0.00 72.50 69.98 2yuq s THR 82 CO 0.06 -0.61 1.54 -0.31 -0.54 0.00 0.00 174.62 174.76 2yuq s TYR 83 N -2.47 2.23 -0.37 3.99 2.02 -1.26 -4.90 117.35 116.60 2yuq s TYR 83 Ca 0.50 0.48 0.05 0.00 -0.37 0.00 0.00 57.07 57.73 2yuq s TYR 83 Cb -0.10 -3.82 0.46 0.00 -0.40 0.00 0.00 41.96 38.09 2yuq s TYR 83 CO 0.35 -3.09 1.37 -0.85 -1.57 0.00 0.00 175.55 171.76 2yuq n GLU 84 N 7.10 3.36 0.00 -0.62 -0.00 -1.26 -5.27 120.64 123.95 2yuq n GLU 84 Ca 0.17 -3.95 0.09 0.00 -0.00 0.00 0.00 57.16 53.47 2yuq n GLU 84 Cb 0.44 -2.26 0.56 0.00 -0.00 0.00 0.00 31.44 30.17 2yuq n GLU 84 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.13 178.04