#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ys4 h SER 2 N 0.00 -0.14 -3.29 1.61 0.87 -2.06 -3.45 113.55 107.10 2ys4 h SER 2 Ca 0.00 -0.21 -0.53 0.00 -1.23 0.00 0.00 61.79 59.82 2ys4 h SER 2 Cb 0.00 0.04 0.04 0.00 -0.44 0.00 0.00 62.40 62.03 2ys4 h SER 2 CO 0.00 0.43 0.71 -0.44 -0.53 0.00 0.00 176.83 177.00 2ys4 s SER 3 N -5.50 6.80 0.00 6.23 0.01 -1.26 -4.79 113.70 115.19 2ys4 s SER 3 Ca -0.07 2.48 0.00 0.00 1.31 0.00 0.00 55.95 59.67 2ys4 s SER 3 Cb -0.00 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.62 2ys4 s SER 3 CO 0.25 -0.61 0.00 0.61 0.41 0.00 0.00 173.24 173.89 2ys4 n GLY 4 N 2.59 0.03 0.26 3.44 0.00 -1.26 -4.81 105.19 105.43 2ys4 n GLY 4 Ca 0.08 -1.56 -0.13 0.00 0.00 0.00 0.00 46.02 44.41 2ys4 n GLY 4 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2ys4 h SER 5 N 0.00 0.93 -5.19 1.61 4.64 -1.94 -3.48 113.55 110.13 2ys4 h SER 5 Ca 0.00 -0.44 -0.32 0.00 -0.47 0.00 0.00 61.79 60.56 2ys4 h SER 5 Cb 0.00 -0.26 0.13 0.00 -0.31 0.00 0.00 62.40 61.96 2ys4 h SER 5 CO 0.00 1.17 -0.62 -1.20 -0.87 0.00 0.00 176.83 175.31 2ys4 n SER 6 N -4.15 -4.45 -4.34 4.97 7.64 -1.26 -4.96 113.62 107.07 2ys4 n SER 6 Ca -0.02 -0.49 -0.46 0.00 1.01 0.00 0.00 58.87 58.91 2ys4 n SER 6 Cb 0.49 -4.46 -0.03 0.00 -1.01 0.00 0.00 64.21 59.19 2ys4 n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2ys4 s GLY 7 N -3.60 2.34 -0.14 0.23 0.00 -1.26 -4.88 107.32 100.02 2ys4 s GLY 7 Ca 0.33 -2.94 -0.12 0.00 0.00 0.00 0.00 44.72 41.98 2ys4 s GLY 7 CO 0.63 1.35 0.18 -0.84 0.00 0.00 0.00 173.10 174.42 2ys4 h THR 8 N 5.30 0.58 -5.44 0.90 2.02 -2.05 -3.48 112.91 110.74 2ys4 h THR 8 Ca -0.04 -1.51 -0.35 0.00 0.77 0.00 0.00 66.41 65.28 2ys4 h THR 8 Cb 1.06 1.17 0.14 0.00 -1.74 0.00 0.00 68.15 68.77 2ys4 h THR 8 CO 0.90 0.20 -0.65 1.21 0.37 0.00 0.00 175.52 177.55 2ys4 n GLU 9 N -4.65 -7.05 -0.49 6.66 2.13 -1.26 -4.89 120.64 111.09 2ys4 n GLU 9 Ca -0.09 0.77 0.05 0.00 0.66 0.00 0.00 57.16 58.55 2ys4 n GLU 9 Cb 0.28 -5.61 0.25 0.00 0.27 0.00 0.00 31.44 26.62 2ys4 n GLU 9 CO 0.00 0.00 0.00 2.89 -0.41 0.00 0.00 177.13 179.61 2ys4 n ARG 10 N -4.46 3.12 -4.05 5.31 -4.01 -1.26 -4.80 116.66 106.52 2ys4 n ARG 10 Ca -0.06 -1.95 -0.33 0.00 -1.04 0.00 0.00 57.85 54.47 2ys4 n ARG 10 Cb 0.58 -1.82 -0.15 0.00 -3.04 0.00 0.00 32.46 28.03 2ys4 n ARG 10 CO 0.00 0.00 0.00 -1.21 -3.04 0.00 0.00 177.63 173.38 2ys4 s GLU 11 N -1.92 2.66 -0.15 2.89 2.02 -1.26 -5.09 118.70 117.86 2ys4 s GLU 11 Ca 0.34 -1.07 -0.29 0.00 0.02 0.00 0.00 54.97 53.97 2ys4 s GLU 11 Cb 0.24 -2.83 -0.03 0.00 0.10 0.00 0.00 34.13 31.61 2ys4 s GLU 11 CO 0.14 -0.41 1.43 0.15 0.02 0.00 0.00 175.26 176.59 2ys4 s LYS 12 N 1.23 4.14 0.11 1.61 -0.14 -1.26 -4.99 119.74 120.44 2ys4 s LYS 12 Ca -0.02 1.80 -0.30 0.00 -1.36 0.00 0.00 55.97 56.09 2ys4 s LYS 12 Cb -0.17 -3.88 -0.06 0.00 -1.68 0.00 0.00 37.83 32.05 2ys4 s LYS 12 CO -0.07 -0.85 1.03 -0.59 -0.76 0.00 0.00 175.35 174.11 2ys4 s PHE 13 N 3.94 3.68 -0.13 3.18 -0.12 -1.26 -5.04 117.98 122.23 2ys4 s PHE 13 Ca 0.63 1.67 -0.05 0.00 -0.05 0.00 0.00 56.93 59.12 2ys4 s PHE 13 Cb -0.25 -3.17 -0.04 0.00 -0.63 0.00 0.00 43.02 38.93 2ys4 s PHE 13 CO 0.22 -0.24 0.05 0.42 -0.05 0.00 0.00 175.22 175.61 2ys4 s ILE 14 N 0.22 4.67 0.06 -4.49 1.01 -1.26 -5.11 121.20 116.30 2ys4 s ILE 14 Ca 0.50 -0.09 0.03 0.00 0.00 0.00 0.00 60.65 61.09 2ys4 s ILE 14 Cb -0.25 -3.04 -0.04 0.00 0.01 0.00 0.00 42.46 39.14 2ys4 s ILE 14 CO 0.31 0.54 0.02 0.68 0.00 0.00 0.00 174.94 176.49 2ys4 s VAL 15 N -0.32 4.17 1.17 2.92 -7.23 -1.26 -5.12 120.40 114.72 2ys4 s VAL 15 Ca 0.08 -0.82 -0.18 0.00 -1.81 0.00 0.00 61.98 59.25 2ys4 s VAL 15 Cb -0.12 -2.95 0.27 0.00 0.56 0.00 0.00 36.38 34.14 2ys4 s VAL 15 CO 0.02 0.20 1.11 -2.16 -0.31 0.00 0.00 175.10 173.95 2ys4 s PRO 16 N -2.10 -0.96 0.05 4.82 0.04 -1.26 -4.99 135.00 130.60 2ys4 s PRO 16 Ca 0.25 0.02 -0.34 0.00 0.04 0.00 0.00 61.00 60.97 2ys4 s PRO 16 Cb -0.12 -1.62 -0.19 0.00 0.04 0.00 0.00 34.50 32.62 2ys4 s PRO 16 CO 0.17 -3.56 1.45 0.82 0.04 0.00 0.00 177.00 175.92 2ys4 h ILE 17 N -2.47 0.00 -3.61 0.56 2.04 -2.09 -3.40 117.51 108.54 2ys4 h ILE 17 Ca -0.47 -0.06 -0.68 0.00 1.00 0.00 0.00 64.86 64.66 2ys4 h ILE 17 Cb 1.30 0.00 -0.28 0.00 -0.74 0.00 0.00 36.82 37.10 2ys4 h ILE 17 CO 0.38 0.00 -0.64 -0.75 0.00 0.00 0.00 178.15 177.14 2ys4 s LYS 18 N -5.58 2.91 -0.29 2.37 2.20 -1.26 -5.04 119.74 115.05 2ys4 s LYS 18 Ca -0.18 -0.97 0.02 0.00 -0.36 0.00 0.00 55.97 54.48 2ys4 s LYS 18 Cb 0.02 -3.33 0.18 0.00 -1.51 0.00 0.00 37.83 33.19 2ys4 s LYS 18 CO 0.54 -0.50 0.54 0.00 -0.36 0.00 0.00 175.35 175.57 2ys4 s ALA 19 N 1.44 -2.03 -0.18 3.13 0.00 -1.26 -5.14 121.76 117.72 2ys4 s ALA 19 Ca 0.01 1.21 0.00 0.00 0.00 0.00 0.00 51.96 53.18 2ys4 s ALA 19 Cb -0.18 -2.24 0.01 0.00 0.00 0.00 0.00 23.12 20.71 2ys4 s ALA 19 CO 0.01 -1.57 -0.16 0.50 0.00 0.00 0.00 175.76 174.54 2ys4 s ARG 20 N 2.77 3.10 0.66 0.00 3.52 -1.26 -5.05 118.95 122.69 2ys4 s ARG 20 Ca 0.14 -0.78 -0.10 0.00 -0.13 0.00 0.00 55.73 54.86 2ys4 s ARG 20 Cb -0.13 -2.65 0.15 0.00 -1.56 0.00 0.00 34.95 30.77 2ys4 s ARG 20 CO -0.24 -0.15 0.34 0.41 -0.81 0.00 0.00 175.30 174.86 2ys4 n GLY 21 N 4.50 -2.77 3.71 8.12 0.00 -1.26 -4.84 105.19 112.64 2ys4 n GLY 21 Ca -0.20 -0.90 -0.42 0.00 0.00 0.00 0.00 46.02 44.49 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 -2.04 3.66 0.01 4.61 0.00 -1.26 -4.94 121.76 121.79 2ys4 s ALA 22 Ca 0.26 1.17 -0.02 0.00 0.00 0.00 0.00 51.96 53.38 2ys4 s ALA 22 Cb -0.05 -3.61 -0.01 0.00 0.00 0.00 0.00 23.12 19.46 2ys4 s ALA 22 CO 0.22 -0.82 1.03 0.00 0.00 0.00 0.00 175.76 176.20 2ys4 h ARG 23 N 7.31 -0.03 -4.47 0.00 -0.00 -1.88 -3.47 114.38 111.84 2ys4 h ARG 23 Ca -0.42 0.00 -0.24 0.00 -0.50 0.00 0.00 59.98 58.83 2ys4 h ARG 23 Cb 1.20 0.01 0.11 0.00 0.00 0.00 0.00 29.97 31.29 2ys4 h ARG 23 CO 0.90 -0.02 -0.52 0.00 0.00 0.00 0.00 179.97 180.33 2ys4 n ALA 24 N -2.64 -1.28 -2.00 0.04 0.00 -1.24 -4.99 120.51 108.41 2ys4 n ALA 24 Ca -0.00 0.03 -0.34 0.00 0.00 0.00 0.00 53.44 53.12 2ys4 n ALA 24 Cb 0.02 -2.28 -0.06 0.00 0.00 0.00 0.00 19.45 17.13 2ys4 n ALA 24 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2ys4 s ILE 25 N -3.24 4.50 0.43 0.00 -1.09 -1.26 -4.64 121.20 115.90 2ys4 s ILE 25 Ca 0.09 1.32 0.05 0.00 -2.23 0.00 0.00 60.65 59.87 2ys4 s ILE 25 Cb -0.04 -3.76 -0.05 0.00 -1.58 0.00 0.00 42.46 37.03 2ys4 s ILE 25 CO 0.50 -0.03 0.02 -0.76 -1.23 0.00 0.00 174.94 173.44 2ys4 s LEU 26 N -2.55 2.56 -0.36 2.97 2.01 -1.26 -2.06 118.68 120.00 2ys4 s LEU 26 Ca 0.52 -1.48 0.00 0.00 0.01 0.00 0.00 54.13 53.18 2ys4 s LEU 26 Cb -0.13 -0.74 0.09 0.00 0.01 0.00 0.00 46.19 45.42 2ys4 s LEU 26 CO 0.19 -0.62 0.10 -0.62 1.01 0.00 0.00 176.35 176.40 2ys4 s ASP 27 N -3.73 4.97 0.01 2.29 -1.08 -0.97 -4.78 116.67 113.38 2ys4 s ASP 27 Ca 0.25 -1.93 0.05 0.00 -0.52 0.00 0.00 52.55 50.40 2ys4 s ASP 27 Cb 0.07 -1.72 -0.02 0.00 -1.46 0.00 0.00 42.92 39.79 2ys4 s ASP 27 CO 0.13 -0.42 -0.16 -0.36 0.52 0.00 0.00 175.17 174.88 2ys4 s PHE 28 N 1.06 1.38 0.75 -5.34 0.40 -1.26 -4.18 117.98 110.79 2ys4 s PHE 28 Ca 0.06 -0.30 -0.11 0.00 -0.60 0.00 0.00 56.93 55.98 2ys4 s PHE 28 Cb -0.21 -0.86 0.04 0.00 0.51 0.00 0.00 43.02 42.50 2ys4 s PHE 28 CO -0.05 0.01 1.10 -1.25 0.70 0.00 0.00 175.22 175.72 2ys4 s PRO 29 N -0.66 2.37 0.25 0.24 0.04 -1.26 -4.94 135.00 131.05 2ys4 s PRO 29 Ca 0.05 1.22 -0.02 0.00 0.04 0.00 0.00 61.00 62.28 2ys4 s PRO 29 Cb -0.07 -1.91 0.50 0.00 0.04 0.00 0.00 34.50 33.06 2ys4 s PRO 29 CO 0.00 -1.56 1.75 -0.44 0.04 0.00 0.00 177.00 176.79 2ys4 h ASP 30 N -0.88 0.40 -5.01 6.66 5.19 -1.98 -3.46 116.42 117.35 2ys4 h ASP 30 Ca -0.44 0.10 0.04 0.00 -0.62 0.00 0.00 57.03 56.11 2ys4 h ASP 30 Cb 1.23 0.05 -0.04 0.00 0.18 0.00 0.00 39.33 40.75 2ys4 h ASP 30 CO 0.52 0.16 0.23 -1.59 -3.12 0.00 0.00 179.24 175.43 2ys4 s LYS 31 N -5.99 1.89 -0.20 3.56 -2.85 -1.26 -3.49 119.74 111.40 2ys4 s LYS 31 Ca -0.12 -1.11 -0.10 0.00 -1.00 0.00 0.00 55.97 53.64 2ys4 s LYS 31 Cb 0.21 0.61 -0.05 0.00 -2.06 0.00 0.00 37.83 36.54 2ys4 s LYS 31 CO 0.77 -0.87 0.12 -1.17 0.10 0.00 0.00 175.35 174.31 2ys4 s LEU 32 N -2.96 4.16 -0.30 2.77 1.98 0.93 -4.91 118.68 120.35 2ys4 s LEU 32 Ca 0.13 0.21 -0.05 0.00 -2.89 0.00 0.00 54.13 51.52 2ys4 s LEU 32 Cb -0.06 -2.08 0.02 0.00 0.66 0.00 0.00 46.19 44.74 2ys4 s LEU 32 CO 0.08 0.17 0.05 0.21 -1.89 0.00 0.00 176.35 174.98 2ys4 s ASN 33 N 0.40 5.02 -0.40 3.68 2.47 -1.26 -2.67 114.94 122.17 2ys4 s ASN 33 Ca 0.07 -0.92 -0.10 0.00 0.42 0.00 0.00 52.86 52.34 2ys4 s ASN 33 Cb -0.11 -1.82 0.06 0.00 -1.45 0.00 0.00 41.25 37.93 2ys4 s ASN 33 CO -0.01 -0.23 0.24 -0.36 -3.72 0.00 0.00 177.10 173.02 2ys4 s PHE 34 N 1.42 3.30 1.12 0.43 0.08 -1.26 -4.99 117.98 118.07 2ys4 s PHE 34 Ca 0.00 -1.34 -0.17 0.00 0.12 0.00 0.00 56.93 55.54 2ys4 s PHE 34 Cb -0.18 -2.78 0.17 0.00 -0.57 0.00 0.00 43.02 39.66 2ys4 s PHE 34 CO 0.01 -0.78 0.24 0.43 -0.10 0.00 0.00 175.22 175.02 2ys4 n SER 35 N 4.95 -2.83 -4.49 1.36 7.64 -1.26 -3.65 113.62 115.34 2ys4 n SER 35 Ca -0.11 -0.32 -0.45 0.00 1.01 0.00 0.00 58.87 59.00 2ys4 n SER 35 Cb 0.44 -0.88 -0.07 0.00 -1.01 0.00 0.00 64.21 62.68 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 -4.60 0.10 -4.43 0.44 -1.04 -1.26 -4.52 114.28 98.96 2ys4 n THR 36 Ca 0.04 -0.36 -0.22 0.00 -2.04 0.00 0.00 64.05 61.47 2ys4 n THR 36 Cb 0.51 -1.81 -0.10 0.00 -1.82 0.00 0.00 70.33 67.11 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 -3.58 4.44 -0.02 0.00 0.04 -1.26 -2.49 135.00 132.13 2ys4 s PRO 38 Ca 0.28 2.05 -0.25 0.00 0.04 0.00 0.00 61.00 63.12 2ys4 s PRO 38 Cb -0.02 -3.15 -0.19 0.00 0.04 0.00 0.00 34.50 31.18 2ys4 s PRO 38 CO 0.12 -0.12 1.24 -0.24 0.04 0.00 0.00 177.00 178.05 2ys4 h VAL 39 N 3.33 1.41 0.35 -0.36 3.04 -1.88 -3.37 116.25 118.78 2ys4 h VAL 39 Ca -0.47 -1.32 -0.02 0.00 -1.01 0.00 0.00 66.70 63.89 2ys4 h VAL 39 Cb 1.22 2.21 0.00 0.00 -2.01 0.00 0.00 31.29 32.72 2ys4 h VAL 39 CO 0.70 0.36 -0.17 0.11 -1.01 0.00 0.00 177.57 177.56 2ys4 h LYS 40 N -0.40 -0.46 -6.69 4.17 6.56 -1.86 -3.24 116.57 114.66 2ys4 h LYS 40 Ca 0.00 0.03 -0.57 0.00 -1.06 0.00 0.00 60.65 59.05 2ys4 h LYS 40 Cb 0.60 0.10 0.17 0.00 -0.57 0.00 0.00 32.23 32.54 2ys4 h LYS 40 CO 0.01 -0.30 -0.14 0.66 -2.06 0.00 0.00 179.45 177.62 2ys4 n TYR 41 N -4.35 0.04 -2.85 -1.35 4.01 -1.26 -4.89 117.16 106.51 2ys4 n TYR 41 Ca -0.06 0.43 -0.35 0.00 -0.16 0.00 0.00 57.90 57.76 2ys4 n TYR 41 Cb 0.19 -2.04 -0.07 0.00 -0.31 0.00 0.00 39.34 37.11 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 -1.26 7.10 0.03 7.72 1.04 -1.26 -4.71 113.70 122.36 2ys4 s SER 42 Ca 0.72 1.69 0.06 0.00 0.48 0.00 0.00 55.95 58.91 2ys4 s SER 42 Cb -0.42 -2.53 -0.03 0.00 0.10 0.00 0.00 66.02 63.14 2ys4 s SER 42 CO 0.51 -0.20 -0.15 -0.89 0.98 0.00 0.00 173.24 173.49 2ys4 s THR 43 N -1.89 3.04 0.00 2.02 2.01 -1.21 -4.98 115.64 114.62 2ys4 s THR 43 Ca 0.55 -1.08 0.02 0.00 0.31 0.00 0.00 61.69 61.49 2ys4 s THR 43 Cb -0.14 -2.30 -0.01 0.00 0.01 0.00 0.00 72.50 70.07 2ys4 s THR 43 CO 0.18 0.34 -0.07 -1.10 -0.69 0.00 0.00 174.62 173.28 2ys4 s GLN 44 N -1.47 0.55 0.07 4.92 1.11 -1.26 -3.17 119.66 120.41 2ys4 s GLN 44 Ca 0.16 -0.31 -0.17 0.00 0.01 0.00 0.00 55.36 55.05 2ys4 s GLN 44 Cb -0.11 -0.52 0.03 0.00 -1.01 0.00 0.00 33.01 31.41 2ys4 s GLN 44 CO 0.06 0.14 0.38 0.21 0.01 0.00 0.00 175.29 176.09 2ys4 s LYS 45 N -0.35 0.94 0.03 2.91 2.20 -1.02 -5.00 119.74 119.45 2ys4 s LYS 45 Ca 0.01 -0.50 0.08 0.00 -0.36 0.00 0.00 55.97 55.21 2ys4 s LYS 45 Cb -0.04 0.41 -0.03 0.00 -1.51 0.00 0.00 37.83 36.67 2ys4 s LYS 45 CO -0.00 -0.33 -0.24 0.42 -0.36 0.00 0.00 175.35 174.84 2ys4 s ILE 46 N -2.88 2.31 -0.23 5.43 1.01 -1.26 -0.50 121.20 125.07 2ys4 s ILE 46 Ca -0.03 -1.25 0.00 0.00 0.00 0.00 0.00 60.65 59.37 2ys4 s ILE 46 Cb 0.00 -1.89 0.06 0.00 0.01 0.00 0.00 42.46 40.64 2ys4 s ILE 46 CO -0.05 0.42 -0.04 -0.22 0.00 0.00 0.00 174.94 175.04 2ys4 s LEU 47 N -1.12 2.41 -0.14 2.97 2.96 0.07 -4.90 118.68 120.93 2ys4 s LEU 47 Ca 0.12 -1.13 -0.29 0.00 -0.22 0.00 0.00 54.13 52.60 2ys4 s LEU 47 Cb -0.10 -1.11 -0.02 0.00 0.50 0.00 0.00 46.19 45.45 2ys4 s LEU 47 CO 0.02 -0.24 1.33 -0.22 -1.32 0.00 0.00 176.35 175.92 2ys4 s LEU 48 N 1.45 4.21 -0.09 -0.68 1.98 -1.26 -2.01 118.68 122.28 2ys4 s LEU 48 Ca -0.05 1.80 0.02 0.00 -2.89 0.00 0.00 54.13 53.00 2ys4 s LEU 48 Cb -0.19 -3.54 -0.02 0.00 0.66 0.00 0.00 46.19 43.11 2ys4 s LEU 48 CO -0.06 -0.78 -0.15 -0.69 -1.89 0.00 0.00 176.35 172.78 2ys4 s VAL 49 N 3.53 2.98 -0.14 1.68 1.01 0.54 -4.95 120.40 125.06 2ys4 s VAL 49 Ca 0.58 -0.72 0.02 0.00 0.00 0.00 0.00 61.98 61.86 2ys4 s VAL 49 Cb -0.24 -2.20 0.01 0.00 0.00 0.00 0.00 36.38 33.95 2ys4 s VAL 49 CO 0.18 0.56 -0.22 -0.60 0.00 0.00 0.00 175.10 175.02 2ys4 s ARG 50 N -0.21 2.98 -0.25 2.72 3.52 -1.26 -0.41 118.95 126.04 2ys4 s ARG 50 Ca 0.00 -0.84 -0.29 0.00 -0.13 0.00 0.00 55.73 54.47 2ys4 s ARG 50 Cb -0.13 -2.41 -0.00 0.00 -1.56 0.00 0.00 34.95 30.85 2ys4 s ARG 50 CO 0.03 -0.02 1.25 1.21 -0.81 0.00 0.00 175.30 176.96 2ys4 s ASN 51 N 0.82 6.82 -0.06 -2.12 3.84 -0.94 -2.29 114.94 121.00 2ys4 s ASN 51 Ca -0.07 1.38 0.14 0.00 0.21 0.00 0.00 52.86 54.52 2ys4 s ASN 51 Cb -0.15 -2.54 0.45 0.00 -0.55 0.00 0.00 41.25 38.46 2ys4 s ASN 51 CO -0.02 -0.92 1.38 2.30 -2.79 0.00 0.00 177.10 177.05 2ys4 n ILE 52 N 5.82 1.47 -0.07 -5.21 -5.35 -0.88 -1.22 119.36 113.91 2ys4 n ILE 52 Ca 0.14 -1.26 0.00 0.00 -0.27 0.00 0.00 62.75 61.36 2ys4 n ILE 52 Cb 0.46 0.25 0.00 0.00 -1.74 0.00 0.00 39.64 38.61 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 0.41 -2.44 0.04 3.28 0.00 -0.87 -4.74 105.19 100.87 2ys4 n GLY 53 Ca 0.17 -1.37 -0.04 0.00 0.00 0.00 0.00 46.02 44.79 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 -0.52 0.87 -0.01 1.61 6.94 -1.26 -4.87 115.26 118.03 2ys4 n ASN 54 Ca 0.00 0.21 -0.01 0.00 -0.02 0.00 0.00 54.58 54.76 2ys4 n ASN 54 Cb 0.00 -0.62 -0.00 0.00 -2.36 0.00 0.00 39.78 36.79 2ys4 n ASN 54 CO 0.00 0.00 0.00 1.17 -1.03 0.00 0.00 177.26 177.40 2ys4 n LYS 55 N -3.38 0.06 -4.10 -3.83 4.81 -1.26 -4.79 118.16 105.68 2ys4 n LYS 55 Ca -0.06 0.08 -0.11 0.00 -0.87 0.00 0.00 58.31 57.36 2ys4 n LYS 55 Cb 0.21 -0.66 -0.07 0.00 0.02 0.00 0.00 35.03 34.52 2ys4 n LYS 55 CO 0.00 0.00 0.00 1.21 1.17 0.00 0.00 177.40 179.78 2ys4 s ASN 56 N -4.13 0.06 -0.01 3.14 2.47 -1.26 -3.68 114.94 111.54 2ys4 s ASN 56 Ca -0.03 -1.16 0.01 0.00 0.42 0.00 0.00 52.86 52.09 2ys4 s ASN 56 Cb 0.00 0.50 0.00 0.00 -1.45 0.00 0.00 41.25 40.30 2ys4 s ASN 56 CO 0.05 -1.01 -0.02 0.00 -3.72 0.00 0.00 177.10 172.40 2ys4 s ALA 57 N -4.05 0.19 -0.25 1.71 0.00 -1.04 -3.58 121.76 114.74 2ys4 s ALA 57 Ca 0.30 -0.05 -0.01 0.00 0.00 0.00 0.00 51.96 52.21 2ys4 s ALA 57 Cb 0.03 -0.08 0.08 0.00 0.00 0.00 0.00 23.12 23.14 2ys4 s ALA 57 CO 0.11 0.03 0.03 0.08 0.00 0.00 0.00 175.76 176.01 2ys4 s VAL 58 N 0.11 1.03 0.04 0.00 1.01 -1.26 -2.63 120.40 118.70 2ys4 s VAL 58 Ca -0.01 -1.14 0.07 0.00 0.00 0.00 0.00 61.98 60.90 2ys4 s VAL 58 Cb -0.03 -1.56 -0.03 0.00 0.00 0.00 0.00 36.38 34.76 2ys4 s VAL 58 CO -0.00 -0.36 -0.17 0.72 0.00 0.00 0.00 175.10 175.29 2ys4 s PHE 59 N 1.59 2.59 -0.29 5.22 -0.71 -1.21 -2.44 117.98 122.73 2ys4 s PHE 59 Ca 0.02 -0.24 -0.01 0.00 -1.04 0.00 0.00 56.93 55.66 2ys4 s PHE 59 Cb -0.18 -1.47 0.09 0.00 -1.21 0.00 0.00 43.02 40.25 2ys4 s PHE 59 CO -0.13 0.27 0.08 -1.58 -1.34 0.00 0.00 175.22 172.51 2ys4 s HIS 60 N -0.94 1.75 0.21 3.49 2.46 -0.20 -2.86 115.29 119.20 2ys4 s HIS 60 Ca 0.15 -1.67 -0.22 0.00 0.47 0.00 0.00 55.06 53.79 2ys4 s HIS 60 Cb -0.11 -1.66 -0.08 0.00 -0.13 0.00 0.00 32.58 30.60 2ys4 s HIS 60 CO 0.06 -0.84 0.76 0.42 -2.47 0.00 0.00 174.74 172.68 2ys4 s ILE 61 N 1.60 4.46 -0.10 0.89 1.01 0.13 -2.64 121.20 126.55 2ys4 s ILE 61 Ca 0.07 1.50 -0.03 0.00 0.00 0.00 0.00 60.65 62.19 2ys4 s ILE 61 Cb -0.17 -3.98 0.05 0.00 0.01 0.00 0.00 42.46 38.36 2ys4 s ILE 61 CO -0.21 0.33 0.12 -0.75 0.00 0.00 0.00 174.94 174.44 2ys4 s LYS 62 N -1.65 0.02 0.09 2.79 2.36 -1.21 -4.52 119.74 117.62 2ys4 s LYS 62 Ca 0.41 0.34 -0.07 0.00 -2.55 0.00 0.00 55.97 54.09 2ys4 s LYS 62 Cb -0.19 -0.77 -0.01 0.00 -1.05 0.00 0.00 37.83 35.81 2ys4 s LYS 62 CO 0.23 -0.43 0.15 -0.08 1.55 0.00 0.00 175.35 176.78 2ys4 s THR 63 N 2.23 0.15 0.16 3.43 -1.32 -1.26 -4.43 115.64 114.59 2ys4 s THR 63 Ca 0.04 -1.33 0.10 0.00 -1.21 0.00 0.00 61.69 59.29 2ys4 s THR 63 Cb -0.13 -1.43 -0.04 0.00 -1.51 0.00 0.00 72.50 69.39 2ys4 s THR 63 CO -0.06 -0.68 -0.23 0.00 -2.21 0.00 0.00 174.62 171.43 2ys4 n ARG 65 N 0.59 -0.48 0.00 0.00 1.74 -1.26 -2.01 116.66 115.24 2ys4 n ARG 65 Ca -0.15 -0.10 0.08 0.00 -0.77 0.00 0.00 57.85 56.90 2ys4 n ARG 65 Cb 0.55 -1.81 0.45 0.00 -1.02 0.00 0.00 32.46 30.62 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 -1.67 0.44 -3.37 5.56 -0.04 -1.26 -4.98 135.00 129.69 2ys4 n PRO 66 Ca 0.06 0.03 -0.40 0.00 -0.04 0.00 0.00 63.50 63.14 2ys4 n PRO 66 Cb 0.55 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.42 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 -2.10 3.23 0.09 0.54 0.08 -0.85 -3.37 117.98 115.60 2ys4 s PHE 67 Ca 0.22 0.29 -0.14 0.00 0.12 0.00 0.00 56.93 57.41 2ys4 s PHE 67 Cb 0.11 -2.65 0.02 0.00 -0.57 0.00 0.00 43.02 39.93 2ys4 s PHE 67 CO 0.19 -0.32 0.34 -1.12 -0.10 0.00 0.00 175.22 174.21 2ys4 s SER 68 N 1.68 -0.15 0.16 1.36 0.01 -0.40 -2.70 113.70 113.67 2ys4 s SER 68 Ca 0.15 -0.31 -0.12 0.00 1.31 0.00 0.00 55.95 56.98 2ys4 s SER 68 Cb -0.16 0.42 0.00 0.00 0.21 0.00 0.00 66.02 66.49 2ys4 s SER 68 CO 0.11 -0.75 0.35 0.27 0.41 0.00 0.00 173.24 173.62 2ys4 s ILE 69 N -3.36 0.06 -0.24 1.44 -0.00 -1.26 0.49 121.20 118.33 2ys4 s ILE 69 Ca 0.01 -1.16 -0.23 0.00 -0.00 0.00 0.00 60.65 59.27 2ys4 s ILE 69 Cb 0.02 -1.69 0.06 0.00 -0.00 0.00 0.00 42.46 40.85 2ys4 s ILE 69 CO -0.09 -0.28 0.65 -0.70 -0.00 0.00 0.00 174.94 174.51 2ys4 s GLU 70 N -3.92 0.76 0.56 0.37 2.12 -0.32 -3.97 118.70 114.30 2ys4 s GLU 70 Ca 0.13 0.88 -0.19 0.00 0.36 0.00 0.00 54.97 56.15 2ys4 s GLU 70 Cb 0.02 0.37 -0.05 0.00 0.26 0.00 0.00 34.13 34.73 2ys4 s GLU 70 CO -0.02 -0.09 1.13 -1.25 -0.54 0.00 0.00 175.26 174.48 2ys4 s PRO 71 N 0.30 3.27 0.38 4.30 0.04 -1.26 -2.41 135.00 139.62 2ys4 s PRO 71 Ca -0.00 1.57 0.20 0.00 0.04 0.00 0.00 61.00 62.81 2ys4 s PRO 71 Cb -0.04 -2.00 0.62 0.00 0.04 0.00 0.00 34.50 33.12 2ys4 s PRO 71 CO 0.01 -0.91 1.70 0.00 0.04 0.00 0.00 177.00 177.84 2ys4 h ALA 72 N 1.01 0.93 -3.11 8.56 0.00 -1.85 -3.45 119.26 121.35 2ys4 h ALA 72 Ca -0.49 -0.31 -0.17 0.00 0.00 0.00 0.00 54.91 53.93 2ys4 h ALA 72 Cb 1.26 -0.06 -0.24 0.00 0.00 0.00 0.00 17.79 18.75 2ys4 h ALA 72 CO 0.56 0.43 -0.53 -1.50 0.00 0.00 0.00 179.25 178.22 2ys4 s ILE 73 N -3.47 0.04 0.08 0.00 2.07 -1.26 0.19 121.20 118.84 2ys4 s ILE 73 Ca 0.01 -0.32 -0.27 0.00 -1.41 0.00 0.00 60.65 58.67 2ys4 s ILE 73 Cb 0.10 -0.30 0.08 0.00 0.13 0.00 0.00 42.46 42.47 2ys4 s ILE 73 CO 0.68 -0.17 0.95 -0.83 -1.91 0.00 0.00 174.94 173.66 2ys4 s GLY 74 N -0.57 -0.33 -0.08 1.50 0.00 -1.14 -5.03 107.32 101.67 2ys4 s GLY 74 Ca -0.07 0.50 0.04 0.00 0.00 0.00 0.00 44.72 45.19 2ys4 s GLY 74 CO 0.01 0.14 -0.22 -0.51 0.00 0.00 0.00 173.10 172.52 2ys4 s THR 75 N -3.17 2.31 0.01 0.90 -4.23 -1.26 -3.30 115.64 106.91 2ys4 s THR 75 Ca 0.10 -0.96 0.07 0.00 -1.18 0.00 0.00 61.69 59.72 2ys4 s THR 75 Cb -0.01 -1.88 -0.03 0.00 1.34 0.00 0.00 72.50 71.92 2ys4 s THR 75 CO -0.02 0.56 -0.21 -0.22 -0.54 0.00 0.00 174.62 174.19 2ys4 s LEU 76 N 0.00 2.40 0.04 4.79 2.96 -1.08 -5.02 118.68 122.77 2ys4 s LEU 76 Ca -0.08 -0.44 -0.10 0.00 -0.22 0.00 0.00 54.13 53.30 2ys4 s LEU 76 Cb -0.15 -1.43 -0.05 0.00 0.50 0.00 0.00 46.19 45.06 2ys4 s LEU 76 CO 0.05 0.29 0.36 0.20 -1.32 0.00 0.00 176.35 175.93 2ys4 s ASN 77 N -1.09 6.63 0.13 3.68 0.01 -1.26 -2.50 114.94 120.54 2ys4 s ASN 77 Ca 0.12 0.76 -0.35 0.00 -0.71 0.00 0.00 52.86 52.68 2ys4 s ASN 77 Cb -0.10 -2.17 -0.15 0.00 0.41 0.00 0.00 41.25 39.24 2ys4 s ASN 77 CO 0.02 0.23 1.45 0.52 -1.51 0.00 0.00 177.10 177.81 2ys4 n VAL 78 N 1.18 0.09 0.00 1.60 0.31 -1.24 -1.15 118.33 119.12 2ys4 n VAL 78 Ca -0.10 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.20 2ys4 n VAL 78 Cb 0.53 -1.20 0.00 0.00 -0.91 0.00 0.00 33.84 32.25 2ys4 n VAL 78 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2ys4 n GLY 79 N 2.91 2.50 3.93 2.92 0.00 -0.36 -5.00 105.19 112.08 2ys4 n GLY 79 Ca 0.17 -0.39 -0.29 0.00 0.00 0.00 0.00 46.02 45.51 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 1.19 0.25 1.61 2.02 -0.30 -4.83 118.70 118.64 2ys4 s GLU 80 Ca 0.00 -0.29 0.01 0.00 0.02 0.00 0.00 54.97 54.71 2ys4 s GLU 80 Cb 0.00 -1.93 -0.03 0.00 0.10 0.00 0.00 34.13 32.27 2ys4 s GLU 80 CO 0.00 -2.04 0.21 -1.12 0.02 0.00 0.00 175.26 172.33 2ys4 s SER 81 N -4.77 0.60 0.17 -0.19 0.01 -1.26 -2.23 113.70 106.04 2ys4 s SER 81 Ca 0.69 -1.47 -0.14 0.00 1.31 0.00 0.00 55.95 56.34 2ys4 s SER 81 Cb -0.06 0.46 0.01 0.00 0.21 0.00 0.00 66.02 66.64 2ys4 s SER 81 CO 0.51 -0.94 0.40 0.00 0.41 0.00 0.00 173.24 173.62 2ys4 s MET 82 N -3.90 1.22 -0.10 12.44 0.23 0.46 -4.97 119.30 124.68 2ys4 s MET 82 Ca 0.38 -0.95 0.01 0.00 -1.03 0.00 0.00 55.69 54.10 2ys4 s MET 82 Cb 0.05 0.45 -0.02 0.00 -1.53 0.00 0.00 34.83 33.78 2ys4 s MET 82 CO 0.17 -0.48 -0.11 -0.65 -2.03 0.00 0.00 175.02 171.91 2ys4 s GLN 83 N -3.89 3.07 -0.18 3.16 -0.21 -1.26 -0.34 119.66 120.00 2ys4 s GLN 83 Ca 0.10 -0.65 0.01 0.00 0.02 0.00 0.00 55.36 54.85 2ys4 s GLN 83 Cb 0.01 -2.58 0.02 0.00 1.00 0.00 0.00 33.01 31.46 2ys4 s GLN 83 CO -0.04 0.40 -0.20 -0.51 -2.12 0.00 0.00 175.29 172.83 2ys4 s LEU 84 N -0.14 2.18 -0.28 2.90 1.43 -0.85 -4.83 118.68 119.08 2ys4 s LEU 84 Ca -0.00 -0.67 -0.21 0.00 -1.03 0.00 0.00 54.13 52.22 2ys4 s LEU 84 Cb -0.13 -1.49 -0.01 0.00 0.03 0.00 0.00 46.19 44.59 2ys4 s LEU 84 CO 0.03 -0.01 0.69 -1.61 0.23 0.00 0.00 176.35 175.68 2ys4 s GLU 85 N 1.29 4.01 -0.17 1.70 2.02 -1.01 -0.75 118.70 125.79 2ys4 s GLU 85 Ca 0.05 0.51 -0.06 0.00 0.02 0.00 0.00 54.97 55.49 2ys4 s GLU 85 Cb -0.13 -3.69 -0.03 0.00 0.10 0.00 0.00 34.13 30.37 2ys4 s GLU 85 CO -0.13 -0.54 0.01 0.08 0.02 0.00 0.00 175.26 174.71 2ys4 s VAL 86 N 2.68 4.33 -0.10 2.63 1.01 0.34 -1.17 120.40 130.12 2ys4 s VAL 86 Ca 0.28 -0.20 0.01 0.00 0.00 0.00 0.00 61.98 62.07 2ys4 s VAL 86 Cb -0.15 -2.93 -0.02 0.00 0.00 0.00 0.00 36.38 33.28 2ys4 s VAL 86 CO 0.10 0.48 -0.11 -0.70 0.00 0.00 0.00 175.10 174.87 2ys4 s GLU 87 N 0.39 3.08 -0.24 2.72 2.12 0.18 -2.44 118.70 124.50 2ys4 s GLU 87 Ca -0.01 -0.65 -0.10 0.00 0.36 0.00 0.00 54.97 54.58 2ys4 s GLU 87 Cb -0.13 -2.59 0.09 0.00 0.26 0.00 0.00 34.13 31.76 2ys4 s GLU 87 CO 0.02 0.40 0.54 0.12 -0.54 0.00 0.00 175.26 175.80 2ys4 s PHE 88 N -0.13 -0.97 -0.28 5.30 5.36 -1.19 -1.27 117.98 124.80 2ys4 s PHE 88 Ca -0.00 1.83 0.01 0.00 -0.96 0.00 0.00 56.93 57.81 2ys4 s PHE 88 Cb -0.13 0.51 0.16 0.00 -0.34 0.00 0.00 43.02 43.21 2ys4 s PHE 88 CO 0.03 -0.52 0.41 -1.83 -1.46 0.00 0.00 175.22 171.85 2ys4 s GLU 89 N 2.23 0.40 0.62 10.12 1.03 -1.22 -3.36 118.70 128.53 2ys4 s GLU 89 Ca -0.06 0.22 -0.10 0.00 0.03 0.00 0.00 54.97 55.05 2ys4 s GLU 89 Cb -0.10 -0.32 0.15 0.00 -0.80 0.00 0.00 34.13 33.06 2ys4 s GLU 89 CO -0.16 -0.96 0.55 -0.35 -1.33 0.00 0.00 175.26 173.01 2ys4 n PRO 90 N 5.36 -2.09 -0.03 -4.83 -0.04 -1.22 -4.87 135.00 127.28 2ys4 n PRO 90 Ca -0.00 -0.88 -0.03 0.00 -0.04 0.00 0.00 63.50 62.55 2ys4 n PRO 90 Cb 0.49 -0.82 -0.03 0.00 -0.04 0.00 0.00 33.50 33.10 2ys4 n PRO 90 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2ys4 n GLN 91 N -3.19 1.60 -4.09 0.54 1.13 -1.26 -4.24 117.38 107.87 2ys4 n GLN 91 Ca 0.08 0.02 -0.31 0.00 -1.94 0.00 0.00 57.00 54.84 2ys4 n GLN 91 Cb 0.30 -1.12 -0.07 0.00 0.11 0.00 0.00 30.24 29.46 2ys4 n GLN 91 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 2ys4 s SER 92 N -4.11 5.53 0.48 1.08 1.04 -1.26 -4.76 113.70 111.71 2ys4 s SER 92 Ca -0.05 0.04 -0.22 0.00 0.48 0.00 0.00 55.95 56.20 2ys4 s SER 92 Cb 0.02 -1.51 -0.07 0.00 0.10 0.00 0.00 66.02 64.55 2ys4 s SER 92 CO 0.16 0.21 1.12 -0.69 0.98 0.00 0.00 173.24 175.03 2ys4 s VAL 93 N -1.30 3.29 -4.23 5.02 1.01 -1.26 -4.91 120.40 118.02 2ys4 s VAL 93 Ca 0.26 0.90 0.00 0.00 0.00 0.00 0.00 61.98 63.14 2ys4 s VAL 93 Cb -0.12 -3.42 0.00 0.00 0.00 0.00 0.00 36.38 32.84 2ys4 s VAL 93 CO 0.19 -0.08 0.00 0.61 0.00 0.00 0.00 175.10 175.81 2ys4 n GLY 94 N 0.26 0.91 3.41 4.51 0.00 -1.23 -5.01 105.19 108.04 2ys4 n GLY 94 Ca 0.09 -1.95 -0.35 0.00 0.00 0.00 0.00 46.02 43.80 2ys4 n GLY 94 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2ys4 s ASP 95 N -4.00 4.73 -0.12 1.61 1.11 -1.26 -0.52 116.67 118.22 2ys4 s ASP 95 Ca 0.00 -0.25 0.02 0.00 0.18 0.00 0.00 52.55 52.49 2ys4 s ASP 95 Cb 0.00 -1.82 0.01 0.00 1.07 0.00 0.00 42.92 42.19 2ys4 s ASP 95 CO 0.00 0.03 -0.17 -1.00 1.18 0.00 0.00 175.17 175.21 2ys4 s HIS 96 N 1.22 2.19 0.36 4.23 3.76 -1.26 -5.03 115.29 120.76 2ys4 s HIS 96 Ca 0.03 -1.08 0.08 0.00 -0.15 0.00 0.00 55.06 53.95 2ys4 s HIS 96 Cb -0.15 -1.55 -0.05 0.00 1.11 0.00 0.00 32.58 31.94 2ys4 s HIS 96 CO 0.01 -0.54 0.07 -1.54 -0.85 0.00 0.00 174.74 171.89 2ys4 s SER 97 N 0.99 4.29 0.00 1.40 1.04 -1.26 -3.67 113.70 116.49 2ys4 s SER 97 Ca -0.05 -1.01 0.00 0.00 0.48 0.00 0.00 55.95 55.37 2ys4 s SER 97 Cb -0.15 -0.54 0.00 0.00 0.10 0.00 0.00 66.02 65.43 2ys4 s SER 97 CO -0.03 -0.34 0.00 0.61 0.98 0.00 0.00 173.24 174.47 2ys4 n GLY 98 N -1.05 3.16 3.54 7.32 0.00 -0.97 -4.85 105.19 112.34 2ys4 n GLY 98 Ca -0.03 -0.69 -0.14 0.00 0.00 0.00 0.00 46.02 45.15 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 1.27 0.78 -0.31 1.61 3.52 -1.26 0.23 118.95 124.79 2ys4 s ARG 99 Ca 0.00 0.81 -0.09 0.00 -0.13 0.00 0.00 55.73 56.32 2ys4 s ARG 99 Cb 0.00 0.38 0.00 0.00 -1.56 0.00 0.00 34.95 33.77 2ys4 s ARG 99 CO 0.00 -0.12 0.13 -0.51 -0.81 0.00 0.00 175.30 173.99 2ys4 s LEU 100 N 0.15 4.04 -0.56 -0.88 1.43 -0.85 -4.91 118.68 117.10 2ys4 s LEU 100 Ca -0.01 -0.61 -0.22 0.00 -1.03 0.00 0.00 54.13 52.25 2ys4 s LEU 100 Cb -0.04 -1.96 0.05 0.00 0.03 0.00 0.00 46.19 44.27 2ys4 s LEU 100 CO 0.02 -0.20 0.85 -0.63 0.23 0.00 0.00 176.35 176.62 2ys4 s ILE 101 N 1.57 4.52 -0.49 -0.59 -1.09 -1.26 -3.50 121.20 120.36 2ys4 s ILE 101 Ca 0.04 -0.10 -0.15 0.00 -2.23 0.00 0.00 60.65 58.21 2ys4 s ILE 101 Cb -0.17 -4.50 0.10 0.00 -1.58 0.00 0.00 42.46 36.30 2ys4 s ILE 101 CO 0.05 -1.10 0.42 -0.69 -1.23 0.00 0.00 174.94 172.39 2ys4 s VAL 102 N 3.58 5.09 0.07 2.92 1.01 -1.16 -3.32 120.40 128.58 2ys4 s VAL 102 Ca 0.24 -1.29 -0.23 0.00 0.00 0.00 0.00 61.98 60.70 2ys4 s VAL 102 Cb -0.16 -4.14 -0.06 0.00 0.00 0.00 0.00 36.38 32.02 2ys4 s VAL 102 CO 0.15 -0.69 0.68 0.00 0.00 0.00 0.00 175.10 175.24 2ys4 s TYR 104 N -0.62 3.42 0.38 0.00 2.02 -0.86 -1.03 117.35 120.66 2ys4 s TYR 104 Ca 0.34 0.05 0.05 0.00 -0.37 0.00 0.00 57.07 57.14 2ys4 s TYR 104 Cb -0.20 -1.61 0.77 0.00 -0.40 0.00 0.00 41.96 40.52 2ys4 s TYR 104 CO 0.21 0.49 2.03 0.22 -1.57 0.00 0.00 175.55 176.94 2ys4 h ASP 105 N 1.85 0.58 -0.00 2.29 3.58 -1.84 -2.79 116.42 120.09 2ys4 h ASP 105 Ca -0.49 -0.01 -0.00 0.00 0.42 0.00 0.00 57.03 56.94 2ys4 h ASP 105 Cb 1.21 -0.14 -0.00 0.00 1.72 0.00 0.00 39.33 42.11 2ys4 h ASP 105 CO 0.65 0.42 -0.00 0.00 -2.88 0.00 0.00 179.24 177.43 2ys4 h THR 106 N 0.69 1.38 0.00 2.25 1.03 -1.92 -3.47 112.91 112.86 2ys4 h THR 106 Ca 0.19 -1.12 0.00 0.00 -0.01 0.00 0.00 66.41 65.47 2ys4 h THR 106 Cb -0.05 2.14 0.00 0.00 -1.07 0.00 0.00 68.15 69.17 2ys4 h THR 106 CO -0.04 0.29 0.00 0.61 -0.01 0.00 0.00 175.52 176.37 2ys4 n GLY 107 N 0.20 0.00 3.83 2.99 0.00 -1.05 -5.18 105.19 105.98 2ys4 n GLY 107 Ca -0.08 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.66 2ys4 n GLY 107 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ys4 s GLU 108 N 0.00 2.24 -0.20 1.61 0.41 -1.26 -4.91 118.70 116.59 2ys4 s GLU 108 Ca 0.00 -2.05 -0.13 0.00 -0.41 0.00 0.00 54.97 52.38 2ys4 s GLU 108 Cb 0.00 -1.95 0.06 0.00 -1.78 0.00 0.00 34.13 30.46 2ys4 s GLU 108 CO 0.00 -0.42 0.49 0.21 -0.49 0.00 0.00 175.26 175.05 2ys4 s LYS 109 N -4.09 0.51 0.09 1.61 2.20 -1.25 -2.02 119.74 116.79 2ys4 s LYS 109 Ca 0.29 0.85 0.04 0.00 -0.36 0.00 0.00 55.97 56.80 2ys4 s LYS 109 Cb 0.00 0.10 -0.04 0.00 -1.51 0.00 0.00 37.83 36.38 2ys4 s LYS 109 CO 0.17 -0.13 0.02 0.08 -0.36 0.00 0.00 175.35 175.13 2ys4 s VAL 110 N 1.13 4.15 -0.19 4.02 1.01 -0.76 -4.91 120.40 124.85 2ys4 s VAL 110 Ca -0.07 -0.94 0.01 0.00 0.00 0.00 0.00 61.98 60.97 2ys4 s VAL 110 Cb -0.06 -2.99 0.04 0.00 0.00 0.00 0.00 36.38 33.36 2ys4 s VAL 110 CO -0.10 0.11 -0.13 -0.36 0.00 0.00 0.00 175.10 174.62 2ys4 s PHE 111 N -1.35 2.44 -0.30 5.22 0.08 -1.26 -2.98 117.98 119.83 2ys4 s PHE 111 Ca 0.27 -1.54 0.00 0.00 0.12 0.00 0.00 56.93 55.78 2ys4 s PHE 111 Cb -0.12 -1.68 0.09 0.00 -0.57 0.00 0.00 43.02 40.75 2ys4 s PHE 111 CO 0.19 -0.74 0.06 0.08 -0.10 0.00 0.00 175.22 174.72 2ys4 s VAL 112 N 1.39 1.29 0.35 -0.44 1.01 -1.23 -4.83 120.40 117.94 2ys4 s VAL 112 Ca 0.01 -1.56 -0.27 0.00 0.00 0.00 0.00 61.98 60.16 2ys4 s VAL 112 Cb -0.15 -1.90 -0.12 0.00 0.00 0.00 0.00 36.38 34.21 2ys4 s VAL 112 CO -0.09 -0.55 1.21 -1.20 0.00 0.00 0.00 175.10 174.46 2ys4 n SER 113 N 4.69 2.32 -4.86 3.32 7.64 -1.23 -2.01 113.62 123.49 2ys4 n SER 113 Ca -0.02 1.18 -0.26 0.00 1.01 0.00 0.00 58.87 60.77 2ys4 n SER 113 Cb 0.43 -1.44 -0.04 0.00 -1.01 0.00 0.00 64.21 62.14 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 -0.77 4.03 0.25 -3.43 1.43 0.13 -0.05 118.68 120.27 2ys4 s LEU 114 Ca 0.57 -0.00 -0.11 0.00 -1.03 0.00 0.00 54.13 53.56 2ys4 s LEU 114 Cb -0.59 -2.62 -0.01 0.00 0.03 0.00 0.00 46.19 43.01 2ys4 s LEU 114 CO 0.61 0.06 0.45 -0.31 0.23 0.00 0.00 176.35 177.39 2ys4 s TYR 115 N -1.74 0.49 0.00 0.29 2.02 -1.09 -2.28 117.35 115.03 2ys4 s TYR 115 Ca 0.32 -0.84 0.00 0.00 -0.37 0.00 0.00 57.07 56.19 2ys4 s TYR 115 Cb -0.10 0.10 0.00 0.00 -0.40 0.00 0.00 41.96 41.56 2ys4 s TYR 115 CO 0.26 -0.98 0.00 0.41 -1.57 0.00 0.00 175.55 173.67 2ys4 n GLY 116 N -0.39 -1.54 3.48 0.71 0.00 -1.24 -4.01 105.19 102.20 2ys4 n GLY 116 Ca -0.01 0.51 -0.46 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.93 4.61 0.00 -1.24 -4.48 120.51 118.46 2ys4 n ALA 117 Ca 0.00 -0.27 -0.29 0.00 0.00 0.00 0.00 53.44 52.88 2ys4 n ALA 117 Cb 0.00 -2.67 0.04 0.00 0.00 0.00 0.00 19.45 16.82 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 8.54 3.00 -0.07 0.00 0.00 0.33 -2.93 121.76 130.63 2ys4 s ALA 118 Ca 1.10 -0.40 -0.12 0.00 0.00 0.00 0.00 51.96 52.54 2ys4 s ALA 118 Cb -0.74 -2.93 0.03 0.00 0.00 0.00 0.00 23.12 19.48 2ys4 s ALA 118 CO 0.44 -1.02 0.30 0.96 0.00 0.00 0.00 175.76 176.43 2ys4 s ILE 119 N -3.26 0.03 0.06 0.00 -5.25 -1.04 -3.49 121.20 108.25 2ys4 s ILE 119 Ca 0.57 -0.24 -0.31 0.00 -0.99 0.00 0.00 60.65 59.69 2ys4 s ILE 119 Cb -0.11 -0.51 -0.08 0.00 2.95 0.00 0.00 42.46 44.71 2ys4 s ILE 119 CO 0.50 -0.13 1.68 -0.62 -1.79 0.00 0.00 174.94 174.58 2ys4 s ASP 120 N -0.53 6.59 -0.19 4.36 2.15 -1.26 -3.40 116.67 124.39 2ys4 s ASP 120 Ca -0.06 2.48 0.04 0.00 0.43 0.00 0.00 52.55 55.44 2ys4 s ASP 120 Cb -0.04 -2.56 -0.15 0.00 -0.30 0.00 0.00 42.92 39.88 2ys4 s ASP 120 CO 0.02 -0.90 -0.13 0.23 -0.17 0.00 0.00 175.17 174.22 2ys4 n MET 121 N 5.83 0.71 0.00 4.34 2.81 -1.26 -5.05 117.12 124.50 2ys4 n MET 121 Ca 0.16 0.09 0.10 0.00 -1.81 0.00 0.00 57.70 56.25 2ys4 n MET 121 Cb 0.41 -1.41 0.61 0.00 -0.71 0.00 0.00 33.22 32.12 2ys4 n MET 121 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57