#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ys4 s SER 2 N 0.00 -0.44 0.14 1.61 0.15 -1.26 -5.18 113.70 108.72 2ys4 s SER 2 Ca 0.00 0.19 -0.24 0.00 0.70 0.00 0.00 55.95 56.60 2ys4 s SER 2 Cb 0.00 0.49 0.07 0.00 -1.71 0.00 0.00 66.02 64.87 2ys4 s SER 2 CO 0.00 -0.71 0.72 -0.55 1.20 0.00 0.00 173.24 173.90 2ys4 s SER 3 N -1.94 -0.43 0.00 5.45 0.15 -1.26 -5.19 113.70 110.48 2ys4 s SER 3 Ca -0.06 -0.14 0.00 0.00 0.70 0.00 0.00 55.95 56.46 2ys4 s SER 3 Cb -0.01 0.56 0.00 0.00 -1.71 0.00 0.00 66.02 64.86 2ys4 s SER 3 CO -0.01 -0.94 0.00 0.61 1.20 0.00 0.00 173.24 174.10 2ys4 n GLY 4 N -0.37 -0.93 3.44 9.45 0.00 -1.26 -5.18 105.19 110.34 2ys4 n GLY 4 Ca -0.12 -1.02 -0.22 0.00 0.00 0.00 0.00 46.02 44.66 2ys4 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ys4 s SER 5 N 0.00 3.07 -0.04 1.61 0.01 -1.26 -5.15 113.70 111.94 2ys4 s SER 5 Ca 0.00 -1.13 -0.00 0.00 1.31 0.00 0.00 55.95 56.12 2ys4 s SER 5 Cb 0.00 -0.22 0.03 0.00 0.21 0.00 0.00 66.02 66.03 2ys4 s SER 5 CO 0.00 -0.22 -0.00 -0.55 0.41 0.00 0.00 173.24 172.88 2ys4 s SER 6 N -3.47 0.90 0.17 2.44 0.15 -1.26 -5.05 113.70 107.58 2ys4 s SER 6 Ca 0.29 -0.05 -0.23 0.00 0.70 0.00 0.00 55.95 56.65 2ys4 s SER 6 Cb 0.01 -0.31 0.04 0.00 -1.71 0.00 0.00 66.02 64.05 2ys4 s SER 6 CO 0.12 -0.13 1.40 0.61 1.20 0.00 0.00 173.24 176.45 2ys4 n GLY 7 N 4.49 -2.17 3.59 9.45 0.00 -1.26 -4.81 105.19 114.48 2ys4 n GLY 7 Ca -0.19 1.05 -0.23 0.00 0.00 0.00 0.00 46.02 46.65 2ys4 n GLY 7 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2ys4 n THR 8 N -5.21 -3.32 -3.89 2.61 -1.04 -1.26 -5.00 114.28 97.17 2ys4 n THR 8 Ca 0.05 -0.06 -0.10 0.00 -2.04 0.00 0.00 64.05 61.90 2ys4 n THR 8 Cb 0.28 -4.10 -0.09 0.00 -1.82 0.00 0.00 70.33 64.61 2ys4 n THR 8 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 2ys4 s GLU 9 N -6.22 0.56 -1.17 -2.82 8.01 -1.26 -4.89 118.70 110.91 2ys4 s GLU 9 Ca 0.53 -0.57 -0.06 0.00 0.01 0.00 0.00 54.97 54.88 2ys4 s GLU 9 Cb -0.23 0.23 0.01 0.00 -4.31 0.00 0.00 34.13 29.82 2ys4 s GLU 9 CO 0.73 -0.14 1.02 0.54 0.01 0.00 0.00 175.26 177.42 2ys4 n ARG 10 N 1.06 -6.83 -3.92 1.61 3.00 -1.26 -4.99 116.66 105.33 2ys4 n ARG 10 Ca -0.21 0.74 -0.11 0.00 -0.01 0.00 0.00 57.85 58.27 2ys4 n ARG 10 Cb 0.57 -5.50 -0.01 0.00 0.00 0.00 0.00 32.46 27.53 2ys4 n ARG 10 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 2ys4 s GLU 11 N -5.96 2.05 -0.01 5.56 0.41 -1.26 -5.01 118.70 114.47 2ys4 s GLU 11 Ca 0.41 -1.50 0.01 0.00 -0.41 0.00 0.00 54.97 53.49 2ys4 s GLU 11 Cb -0.18 0.55 0.04 0.00 -1.78 0.00 0.00 34.13 32.76 2ys4 s GLU 11 CO 0.65 -0.92 0.78 1.63 -0.49 0.00 0.00 175.26 176.91 2ys4 n LYS 12 N -0.53 1.16 -2.87 1.61 4.01 -1.26 -4.77 118.16 115.52 2ys4 n LYS 12 Ca -0.04 -0.16 -0.43 0.00 -0.51 0.00 0.00 58.31 57.17 2ys4 n LYS 12 Cb 0.60 -1.31 -0.04 0.00 -0.51 0.00 0.00 35.03 33.77 2ys4 n LYS 12 CO 0.00 0.00 0.00 -0.06 -1.11 0.00 0.00 177.40 176.23 2ys4 s PHE 13 N -1.48 2.93 0.51 2.13 0.08 -1.26 -5.02 117.98 115.87 2ys4 s PHE 13 Ca 0.03 0.29 -0.23 0.00 0.12 0.00 0.00 56.93 57.14 2ys4 s PHE 13 Cb 0.02 -3.89 -0.06 0.00 -0.57 0.00 0.00 43.02 38.52 2ys4 s PHE 13 CO 0.01 -1.08 1.32 0.42 -0.10 0.00 0.00 175.22 175.79 2ys4 s ILE 14 N 3.63 2.35 0.64 0.64 1.09 -1.26 -4.85 121.20 123.43 2ys4 s ILE 14 Ca 0.34 0.27 -0.17 0.00 -1.10 0.00 0.00 60.65 59.99 2ys4 s ILE 14 Cb -0.11 -3.14 -0.03 0.00 -1.06 0.00 0.00 42.46 38.12 2ys4 s ILE 14 CO 0.25 0.00 0.96 1.33 -0.10 0.00 0.00 174.94 177.38 2ys4 n VAL 15 N -0.75 3.56 -1.96 2.92 0.24 -1.26 -4.95 118.33 116.14 2ys4 n VAL 15 Ca 0.09 -0.47 -0.34 0.00 -2.04 0.00 0.00 64.34 61.58 2ys4 n VAL 15 Cb 0.45 -1.13 0.03 0.00 -1.47 0.00 0.00 33.84 31.72 2ys4 n VAL 15 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 2ys4 s PRO 16 N -2.95 3.03 0.24 7.34 0.04 -1.26 -4.92 135.00 136.52 2ys4 s PRO 16 Ca 0.76 1.47 -0.13 0.00 0.04 0.00 0.00 61.00 63.15 2ys4 s PRO 16 Cb -0.39 -1.97 0.33 0.00 0.04 0.00 0.00 34.50 32.50 2ys4 s PRO 16 CO 0.47 -1.08 1.50 -0.89 0.04 0.00 0.00 177.00 177.04 2ys4 n ILE 17 N -1.97 -0.46 -4.57 0.56 5.41 -1.26 -4.40 119.36 112.66 2ys4 n ILE 17 Ca 0.11 2.24 -0.22 0.00 1.00 0.00 0.00 62.75 65.88 2ys4 n ILE 17 Cb 0.52 -3.02 -0.15 0.00 -0.71 0.00 0.00 39.64 36.28 2ys4 n ILE 17 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 2ys4 s LYS 18 N -6.05 1.11 -0.28 0.38 2.20 -1.26 -5.12 119.74 110.72 2ys4 s LYS 18 Ca -0.14 -0.60 0.01 0.00 -0.36 0.00 0.00 55.97 54.87 2ys4 s LYS 18 Cb 0.23 -1.09 0.16 0.00 -1.51 0.00 0.00 37.83 35.61 2ys4 s LYS 18 CO 0.72 0.29 0.44 0.00 -0.36 0.00 0.00 175.35 176.44 2ys4 s ALA 19 N -0.50 -1.43 0.16 3.13 0.00 -1.26 -5.15 121.76 116.70 2ys4 s ALA 19 Ca 0.05 0.70 -0.24 0.00 0.00 0.00 0.00 51.96 52.46 2ys4 s ALA 19 Cb -0.06 -2.02 0.06 0.00 0.00 0.00 0.00 23.12 21.09 2ys4 s ALA 19 CO 0.00 -1.57 0.86 -0.98 0.00 0.00 0.00 175.76 174.07 2ys4 s ARG 20 N 2.61 1.29 0.00 0.00 1.04 -1.26 -5.15 118.95 117.48 2ys4 s ARG 20 Ca 0.12 -0.66 0.00 0.00 -1.04 0.00 0.00 55.73 54.15 2ys4 s ARG 20 Cb -0.13 0.47 0.00 0.00 -2.04 0.00 0.00 34.95 33.25 2ys4 s ARG 20 CO -0.24 -0.58 0.00 0.41 -0.04 0.00 0.00 175.30 174.84 2ys4 n GLY 21 N -0.42 1.10 3.08 3.88 0.00 -1.26 -5.10 105.19 106.47 2ys4 n GLY 21 Ca -0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.63 2ys4 n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ys4 s ALA 22 N -2.36 2.13 -0.21 4.61 0.00 -1.26 -4.97 121.76 119.70 2ys4 s ALA 22 Ca 0.00 -1.08 -0.07 0.00 0.00 0.00 0.00 51.96 50.81 2ys4 s ALA 22 Cb 0.00 -1.11 0.10 0.00 0.00 0.00 0.00 23.12 22.10 2ys4 s ALA 22 CO 0.00 -0.34 0.45 1.03 0.00 0.00 0.00 175.76 176.91 2ys4 s ARG 23 N 1.33 0.36 -0.23 0.00 0.52 -1.26 -5.06 118.95 114.62 2ys4 s ARG 23 Ca 0.04 1.10 -0.29 0.00 -0.52 0.00 0.00 55.73 56.06 2ys4 s ARG 23 Cb -0.13 0.41 -0.03 0.00 0.52 0.00 0.00 34.95 35.72 2ys4 s ARG 23 CO -0.11 -0.25 1.77 0.00 0.02 0.00 0.00 175.30 176.73 2ys4 s ALA 24 N 2.66 3.11 0.00 2.13 0.00 -1.26 -4.28 121.76 124.12 2ys4 s ALA 24 Ca -0.02 0.52 0.07 0.00 0.00 0.00 0.00 51.96 52.53 2ys4 s ALA 24 Cb -0.12 -3.93 -0.02 0.00 0.00 0.00 0.00 23.12 19.05 2ys4 s ALA 24 CO -0.14 -2.22 -0.21 0.42 0.00 0.00 0.00 175.76 173.62 2ys4 s ILE 25 N 6.01 1.64 0.51 0.00 1.01 -1.26 -4.93 121.20 124.18 2ys4 s ILE 25 Ca 0.79 -0.98 0.02 0.00 0.00 0.00 0.00 60.65 60.48 2ys4 s ILE 25 Cb -0.27 -1.38 -0.00 0.00 0.01 0.00 0.00 42.46 40.82 2ys4 s ILE 25 CO 0.32 0.38 0.10 -0.76 0.00 0.00 0.00 174.94 174.98 2ys4 s LEU 26 N -0.71 2.42 -0.32 2.97 2.01 -1.26 -1.47 118.68 122.32 2ys4 s LEU 26 Ca 0.08 -1.54 0.00 0.00 0.01 0.00 0.00 54.13 52.68 2ys4 s LEU 26 Cb -0.08 -0.86 0.07 0.00 0.01 0.00 0.00 46.19 45.34 2ys4 s LEU 26 CO 0.00 -0.89 0.03 -0.62 1.01 0.00 0.00 176.35 175.87 2ys4 s ASP 27 N -3.96 4.83 0.00 2.29 -1.08 -1.00 -4.76 116.67 113.00 2ys4 s ASP 27 Ca 0.13 -1.64 0.05 0.00 -0.52 0.00 0.00 52.55 50.57 2ys4 s ASP 27 Cb 0.01 -1.68 -0.02 0.00 -1.46 0.00 0.00 42.92 39.78 2ys4 s ASP 27 CO 0.08 -0.33 -0.17 -0.36 0.52 0.00 0.00 175.17 174.91 2ys4 s PHE 28 N 1.12 1.49 0.74 -5.34 0.08 -1.26 -4.34 117.98 110.46 2ys4 s PHE 28 Ca 0.00 -0.30 -0.12 0.00 0.12 0.00 0.00 56.93 56.63 2ys4 s PHE 28 Cb -0.20 -0.94 0.04 0.00 -0.57 0.00 0.00 43.02 41.35 2ys4 s PHE 28 CO -0.04 -0.00 1.10 -1.25 -0.10 0.00 0.00 175.22 174.92 2ys4 s PRO 29 N -0.58 2.41 0.20 0.24 0.04 -1.26 -4.95 135.00 131.10 2ys4 s PRO 29 Ca 0.06 1.24 -0.11 0.00 0.04 0.00 0.00 61.00 62.23 2ys4 s PRO 29 Cb -0.07 -1.91 0.16 0.00 0.04 0.00 0.00 34.50 32.72 2ys4 s PRO 29 CO -0.00 -1.53 1.83 -0.44 0.04 0.00 0.00 177.00 176.90 2ys4 h ASP 30 N -0.78 0.63 -5.05 6.66 3.32 -1.97 -3.46 116.42 115.77 2ys4 h ASP 30 Ca -0.44 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.61 2ys4 h ASP 30 Cb 1.24 -0.13 -0.09 0.00 0.22 0.00 0.00 39.33 40.56 2ys4 h ASP 30 CO 0.52 0.44 0.12 -1.59 -1.72 0.00 0.00 179.24 177.00 2ys4 s LYS 31 N -6.12 1.46 -0.38 3.56 -2.85 -1.26 -3.46 119.74 110.69 2ys4 s LYS 31 Ca -0.13 -0.82 -0.13 0.00 -1.00 0.00 0.00 55.97 53.90 2ys4 s LYS 31 Cb 0.14 0.56 0.01 0.00 -2.06 0.00 0.00 37.83 36.49 2ys4 s LYS 31 CO 0.76 -0.64 0.25 -1.17 0.10 0.00 0.00 175.35 174.65 2ys4 s LEU 32 N -2.86 4.82 -0.50 2.77 1.98 -0.21 -4.95 118.68 119.74 2ys4 s LEU 32 Ca 0.08 -0.83 -0.19 0.00 -2.89 0.00 0.00 54.13 50.30 2ys4 s LEU 32 Cb -0.02 -2.10 0.05 0.00 0.66 0.00 0.00 46.19 44.78 2ys4 s LEU 32 CO -0.02 -0.38 0.63 0.54 -1.89 0.00 0.00 176.35 175.23 2ys4 s ASN 33 N 1.64 6.24 -0.45 3.68 2.20 -1.26 -2.14 114.94 124.85 2ys4 s ASN 33 Ca 0.04 -0.81 -0.18 0.00 -0.94 0.00 0.00 52.86 50.97 2ys4 s ASN 33 Cb -0.19 -2.30 0.04 0.00 -2.00 0.00 0.00 41.25 36.80 2ys4 s ASN 33 CO 0.09 -0.88 0.53 -0.36 -2.94 0.00 0.00 177.10 173.54 2ys4 s PHE 34 N 2.69 3.12 1.12 1.54 0.08 -1.26 -5.00 117.98 120.27 2ys4 s PHE 34 Ca 0.16 -0.39 -0.18 0.00 0.12 0.00 0.00 56.93 56.65 2ys4 s PHE 34 Cb -0.18 -3.19 0.16 0.00 -0.57 0.00 0.00 43.02 39.24 2ys4 s PHE 34 CO 0.13 -0.84 0.21 0.43 -0.10 0.00 0.00 175.22 175.05 2ys4 n SER 35 N 5.88 -2.74 -4.66 1.36 7.64 -1.26 -3.72 113.62 116.12 2ys4 n SER 35 Ca -0.06 -0.29 -0.51 0.00 1.01 0.00 0.00 58.87 59.02 2ys4 n SER 35 Cb 0.47 -0.90 -0.06 0.00 -1.01 0.00 0.00 64.21 62.71 2ys4 n SER 35 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2ys4 n THR 36 N -4.59 0.47 -4.23 0.44 -1.04 -1.26 -4.53 114.28 99.53 2ys4 n THR 36 Ca 0.03 -0.12 -0.13 0.00 -2.04 0.00 0.00 64.05 61.79 2ys4 n THR 36 Cb 0.53 -1.72 -0.10 0.00 -1.82 0.00 0.00 70.33 67.23 2ys4 n THR 36 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2ys4 s PRO 38 N -3.88 4.28 0.00 0.00 0.04 -1.26 -2.43 135.00 131.75 2ys4 s PRO 38 Ca 0.21 1.98 -0.16 0.00 0.04 0.00 0.00 61.00 63.08 2ys4 s PRO 38 Cb 0.06 -2.93 -0.09 0.00 0.04 0.00 0.00 34.50 31.58 2ys4 s PRO 38 CO 0.02 -0.17 0.89 -0.24 0.04 0.00 0.00 177.00 177.55 2ys4 h VAL 39 N 2.74 0.00 0.51 -0.36 3.04 -1.86 -3.36 116.25 116.97 2ys4 h VAL 39 Ca -0.48 -0.21 -0.02 0.00 -1.01 0.00 0.00 66.70 64.97 2ys4 h VAL 39 Cb 1.23 0.00 -0.01 0.00 -2.01 0.00 0.00 31.29 30.50 2ys4 h VAL 39 CO 0.64 0.00 -0.40 0.11 -1.01 0.00 0.00 177.57 176.92 2ys4 h LYS 40 N -0.77 -0.84 -6.63 4.17 6.56 -1.86 -3.24 116.57 113.96 2ys4 h LYS 40 Ca -0.06 0.06 -0.58 0.00 -1.06 0.00 0.00 60.65 59.01 2ys4 h LYS 40 Cb 0.43 0.19 0.15 0.00 -0.57 0.00 0.00 32.23 32.43 2ys4 h LYS 40 CO 0.09 -0.56 -0.01 0.66 -2.06 0.00 0.00 179.45 177.58 2ys4 n TYR 41 N -4.85 0.58 -2.50 -1.35 4.01 -1.26 -4.70 117.16 107.09 2ys4 n TYR 41 Ca -0.11 0.51 -0.31 0.00 -0.16 0.00 0.00 57.90 57.84 2ys4 n TYR 41 Cb 0.38 -2.13 -0.02 0.00 -0.31 0.00 0.00 39.34 37.26 2ys4 n TYR 41 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 2ys4 s SER 42 N -0.96 6.50 0.02 7.72 1.04 -1.26 -4.58 113.70 122.18 2ys4 s SER 42 Ca 0.67 1.34 0.06 0.00 0.48 0.00 0.00 55.95 58.51 2ys4 s SER 42 Cb -0.51 -2.42 -0.03 0.00 0.10 0.00 0.00 66.02 63.17 2ys4 s SER 42 CO 0.54 -0.56 -0.17 -0.89 0.98 0.00 0.00 173.24 173.14 2ys4 s THR 43 N -2.63 2.83 0.05 2.02 2.01 -0.28 -4.96 115.64 114.69 2ys4 s THR 43 Ca 0.55 -1.09 0.04 0.00 0.31 0.00 0.00 61.69 61.49 2ys4 s THR 43 Cb -0.10 -2.17 -0.02 0.00 0.01 0.00 0.00 72.50 70.21 2ys4 s THR 43 CO 0.36 0.39 -0.11 -1.10 -0.69 0.00 0.00 174.62 173.46 2ys4 s GLN 44 N -1.29 0.72 0.05 4.92 1.11 -1.26 -1.81 119.66 122.10 2ys4 s GLN 44 Ca 0.14 -0.78 -0.23 0.00 0.01 0.00 0.00 55.36 54.50 2ys4 s GLN 44 Cb -0.11 -0.65 0.05 0.00 -1.01 0.00 0.00 33.01 31.30 2ys4 s GLN 44 CO 0.04 0.15 0.53 0.21 0.01 0.00 0.00 175.29 176.23 2ys4 s LYS 45 N -1.42 1.05 -0.05 2.91 2.20 -1.11 -4.99 119.74 118.33 2ys4 s LYS 45 Ca -0.03 -0.23 0.06 0.00 -0.36 0.00 0.00 55.97 55.40 2ys4 s LYS 45 Cb -0.09 0.48 -0.02 0.00 -1.51 0.00 0.00 37.83 36.69 2ys4 s LYS 45 CO 0.01 -0.38 -0.22 0.42 -0.36 0.00 0.00 175.35 174.83 2ys4 s ILE 46 N -2.47 2.40 -0.18 5.43 1.01 -1.26 -0.79 121.20 125.33 2ys4 s ILE 46 Ca -0.05 -0.96 0.01 0.00 0.00 0.00 0.00 60.65 59.65 2ys4 s ILE 46 Cb -0.01 -1.89 0.03 0.00 0.01 0.00 0.00 42.46 40.61 2ys4 s ILE 46 CO -0.02 0.58 -0.13 -0.22 0.00 0.00 0.00 174.94 175.14 2ys4 s LEU 47 N -0.41 2.15 -0.18 2.97 2.96 0.14 -4.92 118.68 121.39 2ys4 s LEU 47 Ca 0.04 -0.75 -0.28 0.00 -0.22 0.00 0.00 54.13 52.92 2ys4 s LEU 47 Cb -0.12 -1.29 -0.00 0.00 0.50 0.00 0.00 46.19 45.28 2ys4 s LEU 47 CO 0.02 -0.09 0.96 -0.22 -1.32 0.00 0.00 176.35 175.70 2ys4 s LEU 48 N 1.38 4.16 -0.04 -0.68 1.98 -1.26 -0.79 118.68 123.43 2ys4 s LEU 48 Ca 0.01 1.34 0.06 0.00 -2.89 0.00 0.00 54.13 52.66 2ys4 s LEU 48 Cb -0.15 -3.44 -0.02 0.00 0.66 0.00 0.00 46.19 43.24 2ys4 s LEU 48 CO -0.10 -0.53 -0.21 -0.69 -1.89 0.00 0.00 176.35 172.94 2ys4 s VAL 49 N 2.59 2.52 -0.03 1.68 1.01 0.05 -4.95 120.40 123.27 2ys4 s VAL 49 Ca 0.43 -0.93 0.03 0.00 0.00 0.00 0.00 61.98 61.51 2ys4 s VAL 49 Cb -0.16 -1.93 0.00 0.00 0.00 0.00 0.00 36.38 34.29 2ys4 s VAL 49 CO 0.11 0.58 -0.12 -0.60 0.00 0.00 0.00 175.10 175.07 2ys4 s ARG 50 N -0.64 1.30 -0.46 2.72 3.00 -1.26 -0.33 118.95 123.27 2ys4 s ARG 50 Ca 0.10 -0.42 -0.29 0.00 -1.00 0.00 0.00 55.73 54.12 2ys4 s ARG 50 Cb -0.10 -1.16 0.02 0.00 0.00 0.00 0.00 34.95 33.70 2ys4 s ARG 50 CO -0.00 0.15 1.28 1.21 0.00 0.00 0.00 175.30 177.94 2ys4 s ASN 51 N 0.17 6.47 -0.06 -2.12 2.47 -1.26 -2.37 114.94 118.25 2ys4 s ASN 51 Ca -0.04 0.60 0.17 0.00 0.42 0.00 0.00 52.86 54.00 2ys4 s ASN 51 Cb -0.10 -2.55 0.58 0.00 -1.45 0.00 0.00 41.25 37.73 2ys4 s ASN 51 CO 0.01 -1.37 1.47 2.30 -3.72 0.00 0.00 177.10 175.79 2ys4 n ILE 52 N 6.95 1.23 -1.89 -5.21 -5.35 -0.54 -4.43 119.36 110.12 2ys4 n ILE 52 Ca 0.14 -0.91 -0.00 0.00 -0.27 0.00 0.00 62.75 61.71 2ys4 n ILE 52 Cb 0.49 0.20 0.00 0.00 -1.74 0.00 0.00 39.64 38.58 2ys4 n ILE 52 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2ys4 n GLY 53 N 1.19 0.21 0.10 3.28 0.00 -1.01 -4.81 105.19 104.15 2ys4 n GLY 53 Ca 0.21 -1.87 -0.13 0.00 0.00 0.00 0.00 46.02 44.23 2ys4 n GLY 53 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2ys4 n ASN 54 N -3.00 1.89 -4.84 1.61 0.23 -1.26 -4.83 115.26 105.04 2ys4 n ASN 54 Ca 0.00 -0.08 -0.24 0.00 -0.53 0.00 0.00 54.58 53.73 2ys4 n ASN 54 Cb 0.01 0.06 -0.04 0.00 -2.08 0.00 0.00 39.78 37.74 2ys4 n ASN 54 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 2ys4 s LYS 55 N -2.42 2.32 0.10 -3.83 3.01 -1.26 -4.84 119.74 112.82 2ys4 s LYS 55 Ca -0.22 -1.84 -0.33 0.00 -1.01 0.00 0.00 55.97 52.57 2ys4 s LYS 55 Cb 0.07 -2.13 -0.13 0.00 -1.01 0.00 0.00 37.83 34.63 2ys4 s LYS 55 CO 0.55 -0.34 1.70 0.27 0.51 0.00 0.00 175.35 178.04 2ys4 n ASN 56 N -1.53 3.37 -4.76 2.83 6.94 -1.26 -4.63 115.26 116.22 2ys4 n ASN 56 Ca -0.00 1.04 -0.36 0.00 -0.02 0.00 0.00 54.58 55.23 2ys4 n ASN 56 Cb 0.64 -1.44 -0.07 0.00 -2.36 0.00 0.00 39.78 36.55 2ys4 n ASN 56 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2ys4 s ALA 57 N 1.94 3.67 -0.18 -2.53 0.00 -1.16 -4.78 121.76 118.71 2ys4 s ALA 57 Ca 0.82 -0.52 0.01 0.00 0.00 0.00 0.00 51.96 52.27 2ys4 s ALA 57 Cb -0.64 -2.28 0.03 0.00 0.00 0.00 0.00 23.12 20.23 2ys4 s ALA 57 CO 0.41 0.22 -0.14 0.08 0.00 0.00 0.00 175.76 176.33 2ys4 s VAL 58 N 0.08 1.75 0.30 0.00 1.01 -1.26 -2.75 120.40 119.53 2ys4 s VAL 58 Ca 0.15 -0.91 0.07 0.00 0.00 0.00 0.00 61.98 61.29 2ys4 s VAL 58 Cb -0.13 -1.70 -0.06 0.00 0.00 0.00 0.00 36.38 34.49 2ys4 s VAL 58 CO 0.03 0.34 -0.06 0.72 0.00 0.00 0.00 175.10 176.13 2ys4 s PHE 59 N 1.38 2.07 -0.28 5.22 -0.12 -1.20 -2.13 117.98 122.92 2ys4 s PHE 59 Ca 0.02 -0.65 0.01 0.00 -0.05 0.00 0.00 56.93 56.25 2ys4 s PHE 59 Cb -0.15 -1.19 0.16 0.00 -0.63 0.00 0.00 43.02 41.21 2ys4 s PHE 59 CO -0.10 0.35 0.42 -1.58 -0.05 0.00 0.00 175.22 174.26 2ys4 s HIS 60 N -2.91 -1.04 0.01 3.49 2.46 0.05 -3.20 115.29 114.15 2ys4 s HIS 60 Ca 0.30 0.54 -0.08 0.00 0.47 0.00 0.00 55.06 56.29 2ys4 s HIS 60 Cb 0.04 -0.06 -0.05 0.00 -0.13 0.00 0.00 32.58 32.38 2ys4 s HIS 60 CO 0.13 -0.93 0.30 0.42 -2.47 0.00 0.00 174.74 172.20 2ys4 s ILE 61 N 2.57 5.25 -0.07 0.89 1.01 0.50 -2.61 121.20 128.74 2ys4 s ILE 61 Ca 0.11 0.30 -0.07 0.00 0.00 0.00 0.00 60.65 60.99 2ys4 s ILE 61 Cb -0.13 -3.58 0.02 0.00 0.01 0.00 0.00 42.46 38.78 2ys4 s ILE 61 CO -0.26 0.39 0.20 -0.54 0.00 0.00 0.00 174.94 174.73 2ys4 s LYS 62 N -1.65 0.25 0.27 2.79 -0.14 -1.26 -4.25 119.74 115.74 2ys4 s LYS 62 Ca 0.27 0.26 -0.21 0.00 -1.36 0.00 0.00 55.97 54.93 2ys4 s LYS 62 Cb -0.14 0.12 0.04 0.00 -1.68 0.00 0.00 37.83 36.17 2ys4 s LYS 62 CO 0.15 -0.03 0.79 -0.08 -0.76 0.00 0.00 175.35 175.42 2ys4 s THR 63 N 0.06 0.00 0.18 2.17 -1.32 -1.26 -4.69 115.64 110.78 2ys4 s THR 63 Ca -0.01 -0.92 0.07 0.00 -1.21 0.00 0.00 61.69 59.62 2ys4 s THR 63 Cb -0.02 -2.18 -0.04 0.00 -1.51 0.00 0.00 72.50 68.75 2ys4 s THR 63 CO 0.00 0.00 -0.14 0.00 -2.21 0.00 0.00 174.62 172.27 2ys4 n ARG 65 N -0.18 -0.63 0.00 0.00 1.74 -1.26 -2.22 116.66 114.12 2ys4 n ARG 65 Ca -0.10 -0.15 0.07 0.00 -0.77 0.00 0.00 57.85 56.91 2ys4 n ARG 65 Cb 0.60 -1.82 0.41 0.00 -1.02 0.00 0.00 32.46 30.63 2ys4 n ARG 65 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2ys4 n PRO 66 N -1.81 0.33 -3.51 5.56 -0.04 -1.26 -4.98 135.00 129.28 2ys4 n PRO 66 Ca 0.05 0.08 -0.37 0.00 -0.04 0.00 0.00 63.50 63.23 2ys4 n PRO 66 Cb 0.56 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.44 2ys4 n PRO 66 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2ys4 s PHE 67 N -2.33 3.40 -0.25 0.54 0.08 -0.94 -2.80 117.98 115.68 2ys4 s PHE 67 Ca 0.18 0.53 -0.17 0.00 0.12 0.00 0.00 56.93 57.59 2ys4 s PHE 67 Cb 0.10 -2.39 0.07 0.00 -0.57 0.00 0.00 43.02 40.23 2ys4 s PHE 67 CO 0.21 0.12 0.63 -1.12 -0.10 0.00 0.00 175.22 174.96 2ys4 s SER 68 N 0.77 -0.79 0.32 1.36 0.01 0.57 -3.00 113.70 112.95 2ys4 s SER 68 Ca 0.16 1.34 0.03 0.00 1.31 0.00 0.00 55.95 58.79 2ys4 s SER 68 Cb -0.14 1.26 -0.05 0.00 0.21 0.00 0.00 66.02 67.30 2ys4 s SER 68 CO 0.05 -0.23 0.08 0.27 0.41 0.00 0.00 173.24 173.83 2ys4 s ILE 69 N 1.18 0.92 -0.13 1.44 -0.00 -1.26 0.90 121.20 124.25 2ys4 s ILE 69 Ca -0.07 -2.00 -0.30 0.00 -0.00 0.00 0.00 60.65 58.28 2ys4 s ILE 69 Cb -0.05 -2.68 0.12 0.00 -0.00 0.00 0.00 42.46 39.85 2ys4 s ILE 69 CO -0.12 0.00 0.97 -1.83 -0.00 0.00 0.00 174.94 173.96 2ys4 s GLU 70 N -3.90 0.65 0.09 0.37 1.03 -0.95 -3.92 118.70 112.07 2ys4 s GLU 70 Ca 0.35 0.07 -0.31 0.00 0.03 0.00 0.00 54.97 55.11 2ys4 s GLU 70 Cb 0.07 0.30 -0.07 0.00 -0.80 0.00 0.00 34.13 33.63 2ys4 s GLU 70 CO 0.15 -0.22 1.38 -1.25 -1.33 0.00 0.00 175.26 173.98 2ys4 s PRO 71 N -1.49 4.32 0.62 -4.83 0.04 -1.26 -3.14 135.00 129.27 2ys4 s PRO 71 Ca -0.01 2.03 0.29 0.00 0.04 0.00 0.00 61.00 63.35 2ys4 s PRO 71 Cb -0.01 -3.31 1.54 0.00 0.04 0.00 0.00 34.50 32.76 2ys4 s PRO 71 CO 0.00 -0.44 1.92 0.00 0.04 0.00 0.00 177.00 178.52 2ys4 h ALA 72 N 6.96 1.84 -3.08 8.56 0.00 -1.79 -3.41 119.26 128.35 2ys4 h ALA 72 Ca -0.42 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.31 2ys4 h ALA 72 Cb 1.21 0.02 -0.23 0.00 0.00 0.00 0.00 17.79 18.79 2ys4 h ALA 72 CO 0.86 -0.54 -0.59 -1.50 0.00 0.00 0.00 179.25 177.48 2ys4 s ILE 73 N -4.43 0.06 0.05 0.00 2.07 -1.26 0.19 121.20 117.87 2ys4 s ILE 73 Ca -0.04 -0.52 -0.27 0.00 -1.41 0.00 0.00 60.65 58.42 2ys4 s ILE 73 Cb 0.13 -0.28 0.09 0.00 0.13 0.00 0.00 42.46 42.53 2ys4 s ILE 73 CO 0.45 -0.28 1.21 -0.83 -1.91 0.00 0.00 174.94 173.57 2ys4 s GLY 74 N -0.91 -0.07 0.07 1.50 0.00 -1.19 -5.01 107.32 101.70 2ys4 s GLY 74 Ca -0.10 -0.03 0.06 0.00 0.00 0.00 0.00 44.72 44.65 2ys4 s GLY 74 CO 0.00 4.18 -0.16 -0.51 0.00 0.00 0.00 173.10 176.62 2ys4 s THR 75 N -2.11 1.27 0.08 0.90 -4.23 -1.26 -3.25 115.64 107.04 2ys4 s THR 75 Ca 0.26 -1.30 0.06 0.00 -1.18 0.00 0.00 61.69 59.53 2ys4 s THR 75 Cb -0.01 -1.19 -0.03 0.00 1.34 0.00 0.00 72.50 72.62 2ys4 s THR 75 CO 0.01 -0.12 -0.15 -0.22 -0.54 0.00 0.00 174.62 173.59 2ys4 s LEU 76 N -1.64 2.29 0.43 4.79 2.96 -1.11 -5.06 118.68 121.34 2ys4 s LEU 76 Ca 0.01 -0.65 -0.04 0.00 -0.22 0.00 0.00 54.13 53.23 2ys4 s LEU 76 Cb -0.10 -0.57 -0.04 0.00 0.50 0.00 0.00 46.19 45.99 2ys4 s LEU 76 CO 0.02 -0.07 0.71 0.20 -1.32 0.00 0.00 176.35 175.90 2ys4 s ASN 77 N -1.84 6.31 0.00 3.68 0.01 -1.25 -3.00 114.94 118.85 2ys4 s ASN 77 Ca 0.00 0.82 0.00 0.00 -0.71 0.00 0.00 52.86 52.98 2ys4 s ASN 77 Cb -0.09 -2.20 0.00 0.00 0.41 0.00 0.00 41.25 39.37 2ys4 s ASN 77 CO 0.03 -0.47 0.51 1.33 -1.51 0.00 0.00 177.10 176.99 2ys4 n VAL 78 N -1.95 0.00 -1.93 1.60 0.24 -1.26 -2.94 118.33 112.09 2ys4 n VAL 78 Ca -0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.29 2ys4 n VAL 78 Cb 0.55 -0.35 0.00 0.00 -1.47 0.00 0.00 33.84 32.57 2ys4 n VAL 78 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2ys4 n GLY 79 N 0.13 0.66 3.03 7.63 0.00 -1.26 -4.88 105.19 110.49 2ys4 n GLY 79 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 2ys4 n GLY 79 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ys4 s GLU 80 N 0.00 0.19 0.52 1.61 2.02 -1.15 -5.08 118.70 116.82 2ys4 s GLU 80 Ca 0.00 0.16 0.09 0.00 0.02 0.00 0.00 54.97 55.24 2ys4 s GLU 80 Cb 0.00 0.09 0.06 0.00 0.10 0.00 0.00 34.13 34.38 2ys4 s GLU 80 CO 0.00 -0.03 0.72 -1.12 0.02 0.00 0.00 175.26 174.85 2ys4 s SER 81 N -0.02 5.27 0.24 -0.19 0.01 -1.26 -3.91 113.70 113.84 2ys4 s SER 81 Ca -0.01 -0.72 -0.08 0.00 1.31 0.00 0.00 55.95 56.45 2ys4 s SER 81 Cb -0.01 -0.00 -0.01 0.00 0.21 0.00 0.00 66.02 66.20 2ys4 s SER 81 CO 0.00 -1.15 0.37 0.00 0.41 0.00 0.00 173.24 172.87 2ys4 s MET 82 N -4.56 1.47 -0.16 12.44 0.23 0.55 -4.97 119.30 124.30 2ys4 s MET 82 Ca 0.59 -1.40 0.01 0.00 -1.03 0.00 0.00 55.69 53.86 2ys4 s MET 82 Cb -0.07 0.41 0.01 0.00 -1.53 0.00 0.00 34.83 33.65 2ys4 s MET 82 CO 0.37 -0.58 -0.19 -0.65 -2.03 0.00 0.00 175.02 171.94 2ys4 s GLN 83 N -3.99 3.06 -0.27 3.16 -0.21 -1.26 -0.77 119.66 119.38 2ys4 s GLN 83 Ca 0.28 -0.82 -0.05 0.00 0.02 0.00 0.00 55.36 54.79 2ys4 s GLN 83 Cb 0.02 -2.54 0.01 0.00 1.00 0.00 0.00 33.01 31.50 2ys4 s GLN 83 CO 0.11 -0.08 0.02 -0.51 -2.12 0.00 0.00 175.29 172.70 2ys4 s LEU 84 N 1.00 3.47 0.12 2.90 1.43 0.02 -4.87 118.68 122.74 2ys4 s LEU 84 Ca -0.02 -0.68 -0.24 0.00 -1.03 0.00 0.00 54.13 52.16 2ys4 s LEU 84 Cb -0.15 -1.79 -0.07 0.00 0.03 0.00 0.00 46.19 44.21 2ys4 s LEU 84 CO -0.05 -0.13 0.71 -1.61 0.23 0.00 0.00 176.35 175.50 2ys4 s GLU 85 N 1.45 4.45 -0.17 1.70 8.01 -1.19 -0.69 118.70 132.27 2ys4 s GLU 85 Ca 0.03 1.02 0.01 0.00 0.01 0.00 0.00 54.97 56.03 2ys4 s GLU 85 Cb -0.16 -3.27 0.03 0.00 -4.31 0.00 0.00 34.13 26.41 2ys4 s GLU 85 CO -0.01 0.54 -0.16 0.08 0.01 0.00 0.00 175.26 175.73 2ys4 s VAL 86 N -0.93 1.79 -0.16 2.63 1.01 0.03 -2.24 120.40 122.54 2ys4 s VAL 86 Ca 0.34 -0.85 -0.08 0.00 0.00 0.00 0.00 61.98 61.40 2ys4 s VAL 86 Cb -0.22 -1.69 -0.04 0.00 0.00 0.00 0.00 36.38 34.43 2ys4 s VAL 86 CO 0.24 0.43 0.13 -0.70 0.00 0.00 0.00 175.10 175.19 2ys4 s GLU 87 N 1.38 3.78 -0.26 2.72 2.12 0.26 -2.74 118.70 125.95 2ys4 s GLU 87 Ca 0.03 -0.19 -0.04 0.00 0.36 0.00 0.00 54.97 55.13 2ys4 s GLU 87 Cb -0.14 -3.28 0.14 0.00 0.26 0.00 0.00 34.13 31.12 2ys4 s GLU 87 CO -0.11 0.55 0.50 0.12 -0.54 0.00 0.00 175.26 175.78 2ys4 s PHE 88 N -0.36 -1.15 -0.31 5.30 5.36 -0.75 -0.31 117.98 125.75 2ys4 s PHE 88 Ca 0.11 1.51 0.02 0.00 -0.96 0.00 0.00 56.93 57.61 2ys4 s PHE 88 Cb -0.12 0.38 0.09 0.00 -0.34 0.00 0.00 43.02 43.04 2ys4 s PHE 88 CO 0.01 -0.71 0.04 -2.00 -1.46 0.00 0.00 175.22 171.10 2ys4 s GLU 89 N 2.72 1.25 0.70 10.12 2.12 -1.12 -1.12 118.70 133.37 2ys4 s GLU 89 Ca 0.09 -1.43 -0.13 0.00 0.36 0.00 0.00 54.97 53.86 2ys4 s GLU 89 Cb -0.14 -2.67 0.02 0.00 0.26 0.00 0.00 34.13 31.60 2ys4 s GLU 89 CO -0.17 -0.89 1.10 -1.25 -0.54 0.00 0.00 175.26 173.51 2ys4 s PRO 90 N 1.24 2.59 -0.13 4.30 0.04 -1.22 -4.81 135.00 137.01 2ys4 s PRO 90 Ca 0.07 1.30 0.07 0.00 0.04 0.00 0.00 61.00 62.48 2ys4 s PRO 90 Cb -0.18 -1.93 -0.12 0.00 0.04 0.00 0.00 34.50 32.30 2ys4 s PRO 90 CO -0.14 -1.40 -0.02 0.94 0.04 0.00 0.00 177.00 176.42 2ys4 n GLN 91 N -2.85 1.46 -4.66 4.56 -0.06 -1.26 -3.91 117.38 110.66 2ys4 n GLN 91 Ca 0.10 0.03 -0.34 0.00 -2.00 0.00 0.00 57.00 54.79 2ys4 n GLN 91 Cb 0.52 -1.29 -0.12 0.00 -4.06 0.00 0.00 30.24 25.29 2ys4 n GLN 91 CO 0.00 0.00 0.00 -1.54 -0.20 0.00 0.00 177.06 175.32 2ys4 s SER 92 N -4.79 4.51 0.29 1.69 1.04 -1.26 -4.75 113.70 110.44 2ys4 s SER 92 Ca -0.11 -0.08 -0.29 0.00 0.48 0.00 0.00 55.95 55.94 2ys4 s SER 92 Cb 0.04 -1.21 -0.10 0.00 0.10 0.00 0.00 66.02 64.85 2ys4 s SER 92 CO 0.42 0.33 1.45 -0.69 0.98 0.00 0.00 173.24 175.73 2ys4 s VAL 93 N -0.60 2.46 0.00 5.02 1.01 -1.26 -4.90 120.40 122.14 2ys4 s VAL 93 Ca 0.09 0.41 0.00 0.00 0.00 0.00 0.00 61.98 62.48 2ys4 s VAL 93 Cb -0.12 -3.26 0.00 0.00 0.00 0.00 0.00 36.38 33.00 2ys4 s VAL 93 CO 0.02 0.08 0.00 0.61 0.00 0.00 0.00 175.10 175.80 2ys4 n GLY 94 N 1.67 2.96 3.70 4.51 0.00 -1.26 -5.00 105.19 111.78 2ys4 n GLY 94 Ca 0.05 -1.74 -0.42 0.00 0.00 0.00 0.00 46.02 43.91 2ys4 n GLY 94 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2ys4 s ASP 95 N 0.00 7.25 -0.04 1.61 2.15 -1.26 -2.35 116.67 124.04 2ys4 s ASP 95 Ca 0.00 1.53 0.07 0.00 0.43 0.00 0.00 52.55 54.58 2ys4 s ASP 95 Cb 0.00 -2.54 -0.02 0.00 -0.30 0.00 0.00 42.92 40.07 2ys4 s ASP 95 CO 0.00 -0.31 -0.25 -1.00 -0.17 0.00 0.00 175.17 173.43 2ys4 s HIS 96 N 1.39 2.39 -0.02 -5.34 3.76 -1.26 -4.99 115.29 111.22 2ys4 s HIS 96 Ca 0.48 -0.57 0.03 0.00 -0.15 0.00 0.00 55.06 54.85 2ys4 s HIS 96 Cb -0.19 -1.55 -0.00 0.00 1.11 0.00 0.00 32.58 31.95 2ys4 s HIS 96 CO 0.22 -0.12 -0.10 -1.54 -0.85 0.00 0.00 174.74 172.36 2ys4 s SER 97 N -0.41 1.20 0.00 1.40 1.04 -1.26 -3.34 113.70 112.33 2ys4 s SER 97 Ca 0.04 -0.18 0.00 0.00 0.48 0.00 0.00 55.95 56.28 2ys4 s SER 97 Cb -0.12 -0.22 0.00 0.00 0.10 0.00 0.00 66.02 65.79 2ys4 s SER 97 CO 0.01 0.10 0.00 0.61 0.98 0.00 0.00 173.24 174.94 2ys4 n GLY 98 N 3.03 6.10 3.52 7.32 0.00 -1.19 -4.88 105.19 119.09 2ys4 n GLY 98 Ca -0.16 -1.62 -0.06 0.00 0.00 0.00 0.00 46.02 44.18 2ys4 n GLY 98 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2ys4 s ARG 99 N 1.10 0.56 -0.32 1.61 3.52 -1.26 -1.99 118.95 122.17 2ys4 s ARG 99 Ca 0.00 1.17 -0.11 0.00 -0.13 0.00 0.00 55.73 56.66 2ys4 s ARG 99 Cb 0.00 0.31 -0.01 0.00 -1.56 0.00 0.00 34.95 33.69 2ys4 s ARG 99 CO 0.00 -0.18 0.19 -0.51 -0.81 0.00 0.00 175.30 173.99 2ys4 s LEU 100 N 2.02 4.30 -0.43 -0.88 1.43 -0.81 -4.87 118.68 119.44 2ys4 s LEU 100 Ca -0.08 -0.49 -0.18 0.00 -1.03 0.00 0.00 54.13 52.34 2ys4 s LEU 100 Cb -0.08 -2.06 0.03 0.00 0.03 0.00 0.00 46.19 44.10 2ys4 s LEU 100 CO -0.17 -0.22 0.50 -0.63 0.23 0.00 0.00 176.35 176.06 2ys4 s ILE 101 N 1.66 5.01 0.05 -0.59 1.01 -1.25 -1.75 121.20 125.34 2ys4 s ILE 101 Ca 0.05 -0.27 -0.23 0.00 0.00 0.00 0.00 60.65 60.20 2ys4 s ILE 101 Cb -0.17 -4.11 -0.06 0.00 0.01 0.00 0.00 42.46 38.13 2ys4 s ILE 101 CO 0.08 -0.51 0.71 -0.69 0.00 0.00 0.00 174.94 174.53 2ys4 s VAL 102 N 2.34 4.72 -0.23 2.92 1.01 -0.03 -4.39 120.40 126.74 2ys4 s VAL 102 Ca 0.15 1.51 -0.02 0.00 0.00 0.00 0.00 61.98 63.62 2ys4 s VAL 102 Cb -0.17 -4.06 0.01 0.00 0.00 0.00 0.00 36.38 32.17 2ys4 s VAL 102 CO 0.15 0.42 -0.07 0.00 0.00 0.00 0.00 175.10 175.59 2ys4 s TYR 104 N 1.38 2.94 0.08 0.00 2.02 -1.02 -0.77 117.35 121.97 2ys4 s TYR 104 Ca 0.03 0.08 0.05 0.00 -0.37 0.00 0.00 57.07 56.86 2ys4 s TYR 104 Cb -0.15 -2.71 -0.23 0.00 -0.40 0.00 0.00 41.96 38.47 2ys4 s TYR 104 CO -0.05 -0.82 1.15 0.22 -1.57 0.00 0.00 175.55 174.48 2ys4 h ASP 105 N 0.08 0.09 -0.07 2.29 3.58 -1.78 -3.34 116.42 117.26 2ys4 h ASP 105 Ca -0.43 -0.10 -0.06 0.00 0.42 0.00 0.00 57.03 56.86 2ys4 h ASP 105 Cb 1.29 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 42.31 2ys4 h ASP 105 CO 0.54 1.08 -0.18 0.00 -2.88 0.00 0.00 179.24 177.80 2ys4 h THR 106 N 0.02 1.42 0.00 2.25 1.03 -1.95 -3.48 112.91 112.19 2ys4 h THR 106 Ca -0.08 -1.52 0.00 0.00 -0.01 0.00 0.00 66.41 64.80 2ys4 h THR 106 Cb 1.85 2.23 0.00 0.00 -1.07 0.00 0.00 68.15 71.16 2ys4 h THR 106 CO 0.14 0.43 0.00 0.61 -0.01 0.00 0.00 175.52 176.69 2ys4 n GLY 107 N 0.51 0.11 3.46 2.99 0.00 -1.25 -5.17 105.19 105.83 2ys4 n GLY 107 Ca -0.08 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.68 2ys4 n GLY 107 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2ys4 s GLU 108 N 0.00 1.63 0.12 1.61 2.56 -1.26 -4.99 118.70 118.37 2ys4 s GLU 108 Ca 0.00 -1.51 0.06 0.00 0.00 0.00 0.00 54.97 53.52 2ys4 s GLU 108 Cb 0.00 -1.89 -0.04 0.00 2.00 0.00 0.00 34.13 34.20 2ys4 s GLU 108 CO 0.00 0.40 -0.15 0.21 -0.56 0.00 0.00 175.26 175.16 2ys4 s LYS 109 N -2.80 1.03 -0.09 4.30 2.20 -1.26 -2.45 119.74 120.67 2ys4 s LYS 109 Ca 0.23 -1.22 -0.08 0.00 -0.36 0.00 0.00 55.97 54.53 2ys4 s LYS 109 Cb -0.08 -0.96 0.03 0.00 -1.51 0.00 0.00 37.83 35.31 2ys4 s LYS 109 CO 0.11 0.19 0.25 0.08 -0.36 0.00 0.00 175.35 175.62 2ys4 s VAL 110 N -1.99 -0.01 -0.19 4.02 1.01 -1.16 -4.94 120.40 117.15 2ys4 s VAL 110 Ca 0.08 0.02 -0.00 0.00 0.00 0.00 0.00 61.98 62.08 2ys4 s VAL 110 Cb -0.06 -0.35 0.01 0.00 0.00 0.00 0.00 36.38 35.98 2ys4 s VAL 110 CO 0.03 0.01 -0.15 -0.36 0.00 0.00 0.00 175.10 174.63 2ys4 s PHE 111 N 0.30 2.83 -0.34 5.22 0.40 -1.25 -0.85 117.98 124.29 2ys4 s PHE 111 Ca -0.01 -1.38 0.02 0.00 -0.60 0.00 0.00 56.93 54.95 2ys4 s PHE 111 Cb -0.03 -1.97 0.09 0.00 0.51 0.00 0.00 43.02 41.62 2ys4 s PHE 111 CO -0.01 -0.70 0.05 0.08 0.70 0.00 0.00 175.22 175.34 2ys4 s VAL 112 N 1.30 2.54 0.63 -0.44 1.01 -0.72 -4.88 120.40 119.85 2ys4 s VAL 112 Ca 0.04 -2.10 -0.17 0.00 0.00 0.00 0.00 61.98 59.75 2ys4 s VAL 112 Cb -0.14 -2.75 -0.04 0.00 0.00 0.00 0.00 36.38 33.45 2ys4 s VAL 112 CO -0.09 -0.49 0.82 -1.20 0.00 0.00 0.00 175.10 174.14 2ys4 n SER 113 N 4.38 0.10 -4.58 3.32 7.64 -1.22 -1.92 113.62 121.34 2ys4 n SER 113 Ca -0.02 0.74 -0.25 0.00 1.01 0.00 0.00 58.87 60.36 2ys4 n SER 113 Cb 0.42 -1.33 -0.09 0.00 -1.01 0.00 0.00 64.21 62.20 2ys4 n SER 113 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2ys4 s LEU 114 N -1.45 2.86 0.27 -3.43 1.43 -0.84 -1.04 118.68 116.48 2ys4 s LEU 114 Ca 0.73 -1.02 -0.17 0.00 -1.03 0.00 0.00 54.13 52.64 2ys4 s LEU 114 Cb -0.40 -1.24 0.01 0.00 0.03 0.00 0.00 46.19 44.59 2ys4 s LEU 114 CO 0.50 -0.15 0.63 -0.31 0.23 0.00 0.00 176.35 177.25 2ys4 s TYR 115 N -2.52 0.06 0.00 0.29 2.02 -0.91 -3.17 117.35 113.11 2ys4 s TYR 115 Ca 0.33 -0.48 0.00 0.00 -0.37 0.00 0.00 57.07 56.54 2ys4 s TYR 115 Cb -0.01 0.50 0.00 0.00 -0.40 0.00 0.00 41.96 42.05 2ys4 s TYR 115 CO 0.18 -1.16 0.00 0.41 -1.57 0.00 0.00 175.55 173.41 2ys4 n GLY 116 N -0.44 -1.80 3.48 0.71 0.00 -1.21 -4.02 105.19 101.92 2ys4 n GLY 116 Ca -0.03 0.64 -0.46 0.00 0.00 0.00 0.00 46.02 46.16 2ys4 n GLY 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ys4 n ALA 117 N 0.00 0.99 -1.92 4.61 0.00 -1.24 -4.38 120.51 118.57 2ys4 n ALA 117 Ca 0.00 -0.26 -0.29 0.00 0.00 0.00 0.00 53.44 52.89 2ys4 n ALA 117 Cb 0.00 -2.67 0.14 0.00 0.00 0.00 0.00 19.45 16.92 2ys4 n ALA 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ys4 s ALA 118 N 8.51 2.53 -0.14 0.00 0.00 -0.99 -2.87 121.76 128.80 2ys4 s ALA 118 Ca 1.10 -1.00 -0.17 0.00 0.00 0.00 0.00 51.96 51.89 2ys4 s ALA 118 Cb -0.74 -2.80 0.04 0.00 0.00 0.00 0.00 23.12 19.63 2ys4 s ALA 118 CO 0.44 -2.02 0.46 0.96 0.00 0.00 0.00 175.76 175.60 2ys4 s ILE 119 N -3.69 0.01 -0.65 0.00 -5.25 -1.02 -4.10 121.20 106.51 2ys4 s ILE 119 Ca 0.68 -0.08 -0.28 0.00 -0.99 0.00 0.00 60.65 59.98 2ys4 s ILE 119 Cb -0.07 -0.67 0.03 0.00 2.95 0.00 0.00 42.46 44.70 2ys4 s ILE 119 CO 0.50 -0.04 1.23 -0.62 -1.79 0.00 0.00 174.94 174.22 2ys4 s ASP 120 N -0.14 6.33 -0.05 4.36 2.15 -1.26 -3.23 116.67 124.84 2ys4 s ASP 120 Ca -0.03 -0.12 0.12 0.00 0.43 0.00 0.00 52.55 52.95 2ys4 s ASP 120 Cb -0.03 -2.56 -0.19 0.00 -0.30 0.00 0.00 42.92 39.84 2ys4 s ASP 120 CO 0.02 -1.63 0.22 1.15 -0.17 0.00 0.00 175.17 174.76 2ys4 n MET 121 N 8.83 0.84 0.00 4.34 0.00 -1.26 -5.10 117.12 124.77 2ys4 n MET 121 Ca 0.06 -0.09 0.00 0.00 0.00 0.00 0.00 57.70 57.67 2ys4 n MET 121 Cb 0.49 -1.31 0.00 0.00 0.00 0.00 0.00 33.22 32.40 2ys4 n MET 121 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 175.97 174.26