#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hw4 s TYR 0 N 0.00 2.71 -0.18 1.47 2.02 -1.26 -5.13 117.35 116.98 2hw4 s TYR 0 Ca 0.00 -0.16 -0.06 0.00 -0.37 0.00 0.00 57.07 56.48 2hw4 s TYR 0 Cb 0.00 -1.50 -0.03 0.00 -0.40 0.00 0.00 41.96 40.03 2hw4 s TYR 0 CO 0.00 0.33 0.02 -0.06 -1.57 0.00 0.00 175.55 174.27 2hw4 s PHE 1 N -1.02 3.12 -0.16 2.71 0.08 -1.26 -5.08 117.98 116.36 2hw4 s PHE 1 Ca 0.17 -0.19 -0.24 0.00 0.12 0.00 0.00 56.93 56.79 2hw4 s PHE 1 Cb -0.11 -2.05 -0.02 0.00 -0.57 0.00 0.00 43.02 40.27 2hw4 s PHE 1 CO 0.08 -0.03 0.79 -1.14 -0.10 0.00 0.00 175.22 174.82 2hw4 s GLN 2 N 0.59 4.30 0.48 0.44 2.00 -1.26 -5.04 119.66 121.18 2hw4 s GLN 2 Ca 0.00 0.94 -0.19 0.00 -2.00 0.00 0.00 55.36 54.11 2hw4 s GLN 2 Cb -0.14 -3.56 -0.09 0.00 0.80 0.00 0.00 33.01 30.02 2hw4 s GLN 2 CO 0.02 -0.28 1.00 -1.54 -0.50 0.00 0.00 175.29 173.99 2hw4 s SER 3 N 1.13 6.55 0.29 6.67 1.04 -1.26 -5.01 113.70 123.11 2hw4 s SER 3 Ca 0.37 1.77 -0.30 0.00 0.48 0.00 0.00 55.95 58.27 2hw4 s SER 3 Cb -0.17 -2.54 -0.12 0.00 0.10 0.00 0.00 66.02 63.29 2hw4 s SER 3 CO 0.13 -0.64 1.50 0.80 0.98 0.00 0.00 173.24 176.01 2hw4 n MET 4 N -1.06 2.46 -2.49 4.02 1.56 -1.23 -4.94 117.12 115.44 2hw4 n MET 4 Ca 0.08 0.87 -0.43 0.00 -0.27 0.00 0.00 57.70 57.95 2hw4 n MET 4 Cb 0.53 -2.60 -0.02 0.00 2.15 0.00 0.00 33.22 33.29 2hw4 n MET 4 CO 0.00 0.00 0.00 0.34 -0.73 0.00 0.00 175.97 175.58 2hw4 s ASP 5 N 0.28 6.69 0.57 6.12 2.15 -1.26 -4.85 116.67 126.37 2hw4 s ASP 5 Ca 0.63 1.02 0.27 0.00 0.43 0.00 0.00 52.55 54.89 2hw4 s ASP 5 Cb -0.54 -2.54 1.68 0.00 -0.30 0.00 0.00 42.92 41.22 2hw4 s ASP 5 CO 0.52 -1.10 2.22 -0.07 -0.17 0.00 0.00 175.17 176.57 2hw4 h LEU 6 N 10.89 0.00 -1.96 -1.34 3.38 -1.95 -1.64 115.31 122.70 2hw4 h LEU 6 Ca -0.24 0.00 0.20 0.00 0.09 0.00 0.00 57.88 57.92 2hw4 h LEU 6 Cb 1.08 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.81 2hw4 h LEU 6 CO 1.05 0.01 0.56 0.00 0.09 0.00 0.00 178.44 180.16 2hw4 h ALA 7 N 1.99 2.55 -0.01 1.53 0.00 -2.02 0.12 119.26 123.42 2hw4 h ALA 7 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2hw4 h ALA 7 Cb 0.03 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2hw4 h ALA 7 CO 0.00 -0.91 -0.12 1.28 0.00 0.00 0.00 179.25 179.50 2hw4 n LEU 8 N -4.04 1.40 -4.64 0.00 4.77 -0.61 -4.74 117.00 109.13 2hw4 n LEU 8 Ca 0.14 -0.44 -0.40 0.00 -0.03 0.00 0.00 56.01 55.28 2hw4 n LEU 8 Cb 0.82 -0.05 -0.07 0.00 -2.33 0.00 0.00 43.42 41.79 2hw4 n LEU 8 CO 0.34 0.24 0.26 -0.63 -1.33 0.00 0.00 177.39 176.27 2hw4 s ILE 9 N -2.21 5.07 0.21 -0.08 1.01 0.43 -5.03 121.20 120.60 2hw4 s ILE 9 Ca 0.31 0.94 -0.32 0.00 0.00 0.00 0.00 60.65 61.58 2hw4 s ILE 9 Cb 0.20 -3.85 -0.14 0.00 0.01 0.00 0.00 42.46 38.69 2hw4 s ILE 9 CO 0.41 0.12 1.47 -2.65 0.00 0.00 0.00 174.94 174.29 2hw4 n PRO 10 N 5.24 2.09 0.01 2.79 -0.02 -1.26 -4.88 135.00 138.98 2hw4 n PRO 10 Ca -0.04 0.75 -0.02 0.00 -2.02 0.00 0.00 63.50 62.17 2hw4 n PRO 10 Cb 0.50 -2.45 0.24 0.00 -0.02 0.00 0.00 33.50 31.77 2hw4 n PRO 10 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 2hw4 h ASP 11 N 4.83 0.47 -3.58 2.55 3.32 -1.92 -3.44 116.42 118.65 2hw4 h ASP 11 Ca -0.45 -0.13 -0.46 0.00 0.02 0.00 0.00 57.03 56.01 2hw4 h ASP 11 Cb 1.27 -0.13 -0.33 0.00 0.22 0.00 0.00 39.33 40.36 2hw4 h ASP 11 CO 0.80 0.65 -0.79 -0.69 -1.72 0.00 0.00 179.24 177.49 2hw4 s VAL 12 N -4.68 0.85 -0.30 -1.35 1.01 -1.26 -0.61 120.40 114.06 2hw4 s VAL 12 Ca -0.07 -0.34 -0.03 0.00 0.00 0.00 0.00 61.98 61.53 2hw4 s VAL 12 Cb 0.14 -0.79 0.11 0.00 0.00 0.00 0.00 36.38 35.84 2hw4 s VAL 12 CO 0.78 0.28 0.15 -0.62 0.00 0.00 0.00 175.10 175.69 2hw4 s ASP 13 N 0.55 3.38 0.21 3.32 2.15 -0.37 -4.99 116.67 120.93 2hw4 s ASP 13 Ca -0.10 -1.37 0.06 0.00 0.43 0.00 0.00 52.55 51.57 2hw4 s ASP 13 Cb -0.13 -0.31 -0.05 0.00 -0.30 0.00 0.00 42.92 42.13 2hw4 s ASP 13 CO 0.02 -0.42 -0.10 0.27 -0.17 0.00 0.00 175.17 174.77 2hw4 s ILE 14 N 1.99 1.48 0.49 4.11 -4.36 -1.26 -1.66 121.20 122.00 2hw4 s ILE 14 Ca 0.10 -2.13 -0.06 0.00 -0.26 0.00 0.00 60.65 58.30 2hw4 s ILE 14 Cb -0.17 -2.12 0.11 0.00 1.25 0.00 0.00 42.46 41.53 2hw4 s ILE 14 CO -0.32 -0.53 0.67 0.47 0.24 0.00 0.00 174.94 175.47 2hw4 n ASP 15 N -0.38 0.34 -4.25 4.36 8.00 -0.69 -4.97 116.55 118.96 2hw4 n ASP 15 Ca -0.08 -1.42 -0.14 0.00 0.71 0.00 0.00 54.79 53.86 2hw4 n ASP 15 Cb 0.62 -0.49 -0.10 0.00 -0.02 0.00 0.00 41.12 41.13 2hw4 n ASP 15 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2hw4 s SER 16 N -3.56 1.46 -0.81 -2.24 0.15 -1.26 -4.89 113.70 102.54 2hw4 s SER 16 Ca 0.40 -1.13 -0.01 0.00 0.70 0.00 0.00 55.95 55.92 2hw4 s SER 16 Cb -0.02 0.07 0.00 0.00 -1.71 0.00 0.00 66.02 64.36 2hw4 s SER 16 CO 0.28 -0.49 0.63 0.47 1.20 0.00 0.00 173.24 175.33 2hw4 n ASP 17 N -0.24 -5.64 0.00 5.45 9.92 -0.73 -4.92 116.55 120.39 2hw4 n ASP 17 Ca -0.08 -0.73 0.00 0.00 -0.53 0.00 0.00 54.79 53.45 2hw4 n ASP 17 Cb 0.62 -2.67 0.00 0.00 -0.64 0.00 0.00 41.12 38.43 2hw4 n ASP 17 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2hw4 n GLY 18 N -1.69 -1.32 3.38 0.44 0.00 -0.17 -4.97 105.19 100.86 2hw4 n GLY 18 Ca -0.23 -1.15 -0.32 0.00 0.00 0.00 0.00 46.02 44.31 2hw4 n GLY 18 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2hw4 s VAL 19 N -3.00 2.73 0.10 1.61 1.01 -1.26 -0.44 120.40 121.15 2hw4 s VAL 19 Ca 0.00 -0.82 -0.24 0.00 0.00 0.00 0.00 61.98 60.92 2hw4 s VAL 19 Cb 0.00 -2.07 0.07 0.00 0.00 0.00 0.00 36.38 34.38 2hw4 s VAL 19 CO 0.00 0.57 0.60 0.72 0.00 0.00 0.00 175.10 176.99 2hw4 s PHE 20 N -0.28 -0.54 0.53 5.22 -0.12 -0.48 -4.90 117.98 117.39 2hw4 s PHE 20 Ca 0.01 0.50 -0.22 0.00 -0.05 0.00 0.00 56.93 57.18 2hw4 s PHE 20 Cb -0.13 0.49 -0.05 0.00 -0.63 0.00 0.00 43.02 42.70 2hw4 s PHE 20 CO 0.03 -0.77 1.28 0.15 -0.05 0.00 0.00 175.22 175.86 2hw4 s LYS 21 N -3.06 3.30 0.05 1.99 1.02 -1.26 -0.67 119.74 121.11 2hw4 s LYS 21 Ca -0.02 2.05 -0.02 0.00 0.02 0.00 0.00 55.97 58.00 2hw4 s LYS 21 Cb -0.01 -2.26 -0.04 0.00 -0.52 0.00 0.00 37.83 35.01 2hw4 s LYS 21 CO -0.07 -1.00 -0.01 1.52 -0.92 0.00 0.00 175.35 174.87 2hw4 s TYR 22 N -1.41 0.48 0.09 3.18 -0.85 -0.30 -2.43 117.35 116.12 2hw4 s TYR 22 Ca 0.70 -1.01 0.06 0.00 -0.52 0.00 0.00 57.07 56.29 2hw4 s TYR 22 Cb -0.36 -0.35 -0.03 0.00 0.38 0.00 0.00 41.96 41.60 2hw4 s TYR 22 CO 0.42 -0.39 -0.14 0.14 -1.52 0.00 0.00 175.55 174.05 2hw4 s VAL 23 N -3.86 1.22 -0.22 -3.49 -7.23 -0.07 -1.03 120.40 105.73 2hw4 s VAL 23 Ca 0.06 -1.48 -0.06 0.00 -1.81 0.00 0.00 61.98 58.69 2hw4 s VAL 23 Cb 0.07 -1.28 -0.03 0.00 0.56 0.00 0.00 36.38 35.71 2hw4 s VAL 23 CO -0.10 -0.30 0.04 -0.22 -0.31 0.00 0.00 175.10 174.21 2hw4 s LEU 24 N -2.03 3.41 -0.06 1.32 2.96 -0.14 -1.45 118.68 122.70 2hw4 s LEU 24 Ca 0.03 -0.16 0.04 0.00 -0.22 0.00 0.00 54.13 53.81 2hw4 s LEU 24 Cb -0.08 -1.89 -0.00 0.00 0.50 0.00 0.00 46.19 44.72 2hw4 s LEU 24 CO 0.03 0.04 -0.19 -0.63 -1.32 0.00 0.00 176.35 174.27 2hw4 s ILE 25 N 1.18 1.59 -0.25 6.68 1.01 -0.19 0.23 121.20 131.44 2hw4 s ILE 25 Ca 0.04 -0.79 -0.16 0.00 0.00 0.00 0.00 60.65 59.75 2hw4 s ILE 25 Cb -0.14 -1.37 -0.04 0.00 0.01 0.00 0.00 42.46 40.92 2hw4 s ILE 25 CO 0.02 0.45 0.40 -0.60 0.00 0.00 0.00 174.94 175.22 2hw4 s ARG 26 N 0.14 4.06 -0.16 2.79 3.52 0.46 -0.79 118.95 128.96 2hw4 s ARG 26 Ca -0.08 0.13 -0.08 0.00 -0.13 0.00 0.00 55.73 55.57 2hw4 s ARG 26 Cb -0.13 -3.63 -0.04 0.00 -1.56 0.00 0.00 34.95 29.59 2hw4 s ARG 26 CO 0.04 -0.24 0.09 0.08 -0.81 0.00 0.00 175.30 174.47 2hw4 s VAL 27 N 1.94 5.10 -0.12 7.11 1.01 0.03 -0.75 120.40 134.71 2hw4 s VAL 27 Ca 0.17 0.07 -0.01 0.00 0.00 0.00 0.00 61.98 62.21 2hw4 s VAL 27 Cb -0.15 -3.28 -0.02 0.00 0.00 0.00 0.00 36.38 32.93 2hw4 s VAL 27 CO 0.09 0.50 -0.09 -1.00 0.00 0.00 0.00 175.10 174.61 2hw4 s HIS 28 N -0.07 2.89 0.41 5.22 0.09 0.19 -1.00 115.29 123.02 2hw4 s HIS 28 Ca 0.08 -0.38 0.17 0.00 -0.00 0.00 0.00 55.06 54.93 2hw4 s HIS 28 Cb -0.12 -1.84 1.06 0.00 -0.00 0.00 0.00 32.58 31.68 2hw4 s HIS 28 CO 0.00 -0.03 1.84 1.03 -0.00 0.00 0.00 174.74 177.59 2hw4 h SER 29 N 6.35 0.44 -3.43 1.40 0.87 -1.89 -1.94 113.55 115.36 2hw4 h SER 29 Ca -0.33 0.05 -0.58 0.00 -1.23 0.00 0.00 61.79 59.70 2hw4 h SER 29 Cb 1.19 -0.03 -0.39 0.00 -0.44 0.00 0.00 62.40 62.73 2hw4 h SER 29 CO 0.57 0.17 -0.77 0.00 -0.53 0.00 0.00 176.83 176.27 2hw4 s ALA 30 N -5.46 1.60 0.00 6.23 0.00 -1.19 -3.58 121.76 119.35 2hw4 s ALA 30 Ca -0.08 -1.23 0.00 0.00 0.00 0.00 0.00 51.96 50.65 2hw4 s ALA 30 Cb 0.23 -1.40 0.00 0.00 0.00 0.00 0.00 23.12 21.95 2hw4 s ALA 30 CO 0.79 -1.29 0.00 -1.91 0.00 0.00 0.00 175.76 173.35 2hw4 n GLU 39 N 4.81 2.22 -3.84 0.00 2.13 -1.26 -4.94 120.64 119.77 2hw4 n GLU 39 Ca -0.09 0.00 -0.10 0.00 0.66 0.00 0.00 57.16 57.63 2hw4 n GLU 39 Cb 0.45 -0.30 -0.08 0.00 0.27 0.00 0.00 31.44 31.78 2hw4 n GLU 39 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 2hw4 s SER 40 N -0.39 0.03 0.21 4.31 1.04 -1.26 -4.09 113.70 113.56 2hw4 s SER 40 Ca 0.00 -0.41 -0.18 0.00 0.48 0.00 0.00 55.95 55.84 2hw4 s SER 40 Cb 0.00 0.31 0.03 0.00 0.10 0.00 0.00 66.02 66.46 2hw4 s SER 40 CO 0.00 -0.61 0.55 -1.59 0.98 0.00 0.00 173.24 172.57 2hw4 s LYS 41 N -2.88 1.44 -0.14 4.02 -2.85 -0.17 -4.98 119.74 114.19 2hw4 s LYS 41 Ca -0.03 -0.90 -0.06 0.00 -1.00 0.00 0.00 55.97 53.99 2hw4 s LYS 41 Cb 0.00 0.53 -0.04 0.00 -2.06 0.00 0.00 37.83 36.27 2hw4 s LYS 41 CO -0.06 -0.62 0.07 -1.21 0.10 0.00 0.00 175.35 173.63 2hw4 s GLU 42 N -3.89 3.54 0.13 1.78 2.02 -1.26 -0.79 118.70 120.23 2hw4 s GLU 42 Ca 0.10 -0.30 0.07 0.00 0.02 0.00 0.00 54.97 54.86 2hw4 s GLU 42 Cb -0.02 -3.08 -0.04 0.00 0.10 0.00 0.00 34.13 31.09 2hw4 s GLU 42 CO -0.01 0.54 -0.16 0.96 0.02 0.00 0.00 175.26 176.61 2hw4 s ILE 43 N -0.39 1.51 -0.16 -1.63 -4.36 0.03 -4.91 121.20 111.29 2hw4 s ILE 43 Ca 0.09 -1.70 -0.02 0.00 -0.26 0.00 0.00 60.65 58.76 2hw4 s ILE 43 Cb -0.12 -1.58 -0.02 0.00 1.25 0.00 0.00 42.46 41.99 2hw4 s ILE 43 CO 0.02 -0.31 -0.07 -0.69 0.24 0.00 0.00 174.94 174.13 2hw4 s VAL 44 N -1.86 3.47 -0.06 8.37 1.01 0.22 -1.02 120.40 130.52 2hw4 s VAL 44 Ca 0.09 -0.50 -0.00 0.00 0.00 0.00 0.00 61.98 61.57 2hw4 s VAL 44 Cb -0.06 -2.51 0.03 0.00 0.00 0.00 0.00 36.38 33.83 2hw4 s VAL 44 CO 0.04 0.49 -0.02 -0.13 0.00 0.00 0.00 175.10 175.48 2hw4 s ARG 45 N 0.61 0.66 -0.18 2.72 1.81 -0.53 -1.23 118.95 122.80 2hw4 s ARG 45 Ca -0.05 0.02 -0.10 0.00 -1.72 0.00 0.00 55.73 53.89 2hw4 s ARG 45 Cb -0.15 -0.86 0.06 0.00 -0.45 0.00 0.00 34.95 33.55 2hw4 s ARG 45 CO 0.03 -0.20 0.44 0.20 -0.68 0.00 0.00 175.30 175.09 2hw4 s GLY 46 N 1.44 -0.36 -0.09 -3.53 0.00 -0.66 -0.89 107.32 103.23 2hw4 s GLY 46 Ca -0.03 1.61 -0.06 0.00 0.00 0.00 0.00 44.72 46.24 2hw4 s GLY 46 CO -0.03 1.78 0.22 -0.19 0.00 0.00 0.00 173.10 174.88 2hw4 s TYR 47 N 1.47 -0.26 0.50 1.90 2.02 -1.02 -1.70 117.35 120.26 2hw4 s TYR 47 Ca -0.09 0.64 0.20 0.00 -0.37 0.00 0.00 57.07 57.45 2hw4 s TYR 47 Cb -0.08 0.05 1.32 0.00 -0.40 0.00 0.00 41.96 42.84 2hw4 s TYR 47 CO -0.13 -0.16 2.11 0.87 -1.57 0.00 0.00 175.55 176.66 2hw4 h LYS 48 N 6.49 0.00 0.00 -0.62 1.57 -1.90 -2.87 116.57 119.24 2hw4 h LYS 48 Ca -0.33 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.44 2hw4 h LYS 48 Cb 1.17 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.48 2hw4 h LYS 48 CO 0.38 0.08 -0.03 0.11 -0.57 0.00 0.00 179.45 179.42 2hw4 h TRP 49 N 0.00 0.00 -2.85 -1.35 5.08 -1.97 -3.44 115.95 111.41 2hw4 h TRP 49 Ca -0.00 0.00 -0.56 0.00 1.08 0.00 0.00 58.89 59.41 2hw4 h TRP 49 Cb 0.15 0.00 -0.03 0.00 -3.00 0.00 0.00 29.16 26.28 2hw4 h TRP 49 CO 0.00 0.03 1.04 0.00 -1.28 0.00 0.00 178.44 178.23 2hw4 s ALA 50 N -3.58 3.43 0.18 0.11 0.00 -1.08 -4.89 121.76 115.92 2hw4 s ALA 50 Ca 0.02 0.46 -0.07 0.00 0.00 0.00 0.00 51.96 52.37 2hw4 s ALA 50 Cb 0.08 -3.77 0.07 0.00 0.00 0.00 0.00 23.12 19.50 2hw4 s ALA 50 CO 0.58 -1.66 1.54 1.49 0.00 0.00 0.00 175.76 177.71 2hw4 h GLU 51 N 9.71 0.83 -5.63 0.00 4.81 -1.90 -3.44 114.58 118.95 2hw4 h GLU 51 Ca -0.31 -0.40 -0.46 0.00 -0.13 0.00 0.00 59.36 58.06 2hw4 h GLU 51 Cb 1.13 -0.00 -0.19 0.00 0.63 0.00 0.00 28.75 30.32 2hw4 h GLU 51 CO 0.99 1.04 -0.78 0.71 -0.73 0.00 0.00 179.01 180.25 2hw4 s TYR 52 N -4.44 1.52 0.26 0.92 2.02 -1.26 -5.03 117.35 111.33 2hw4 s TYR 52 Ca -0.10 -0.50 -0.02 0.00 -0.37 0.00 0.00 57.07 56.08 2hw4 s TYR 52 Cb 0.12 -0.80 0.47 0.00 -0.40 0.00 0.00 41.96 41.35 2hw4 s TYR 52 CO 0.86 0.18 1.80 0.45 -1.57 0.00 0.00 175.55 177.27 2hw4 h HIS 53 N 3.66 0.90 -0.29 2.71 3.86 -1.95 -1.01 115.15 123.02 2hw4 h HIS 53 Ca -0.41 0.03 0.08 0.00 -1.16 0.00 0.00 60.37 58.91 2hw4 h HIS 53 Cb 1.19 -0.27 -0.01 0.00 1.06 0.00 0.00 27.41 29.38 2hw4 h HIS 53 CO 0.65 0.32 0.21 0.00 0.86 0.00 0.00 177.93 179.97 2hw4 h ALA 54 N 1.50 2.23 -0.48 2.45 0.00 -1.99 -0.82 119.26 122.16 2hw4 h ALA 54 Ca 0.44 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.27 2hw4 h ALA 54 Cb 0.48 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 2hw4 h ALA 54 CO -0.28 -0.31 0.00 -0.44 0.00 0.00 0.00 179.25 178.22 2hw4 h ASP 55 N 0.03 0.76 -0.02 0.00 3.32 -1.59 0.69 116.42 119.61 2hw4 h ASP 55 Ca 0.14 -0.18 -0.01 0.00 0.02 0.00 0.00 57.03 56.99 2hw4 h ASP 55 Cb 0.51 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.85 2hw4 h ASP 55 CO -0.01 0.82 -0.03 0.40 -1.72 0.00 0.00 179.24 178.71 2hw4 h ILE 56 N 0.74 1.43 -0.79 0.35 2.04 -1.16 -2.46 117.51 117.66 2hw4 h ILE 56 Ca 0.14 -1.32 0.03 0.00 1.00 0.00 0.00 64.86 64.71 2hw4 h ILE 56 Cb 0.45 2.28 -0.05 0.00 -0.74 0.00 0.00 36.82 38.76 2hw4 h ILE 56 CO 0.02 0.35 0.51 0.22 0.00 0.00 0.00 178.15 179.25 2hw4 h TYR 57 N -0.48 0.95 -0.51 1.37 3.20 -1.26 0.59 116.97 120.83 2hw4 h TYR 57 Ca 0.00 0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.91 2hw4 h TYR 57 Cb 0.59 -0.32 -0.03 0.00 1.54 0.00 0.00 36.73 38.51 2hw4 h TYR 57 CO 0.12 0.56 0.32 -0.44 -1.64 0.00 0.00 178.16 177.08 2hw4 h ASP 58 N 1.00 0.54 -0.06 -2.11 3.32 -0.89 0.14 116.42 118.36 2hw4 h ASP 58 Ca 0.31 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.35 2hw4 h ASP 58 Cb -0.02 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 39.40 2hw4 h ASP 58 CO -0.10 0.39 0.00 0.50 -1.72 0.00 0.00 179.24 178.31 2hw4 h LYS 59 N 0.65 0.10 -0.24 3.56 1.63 -0.98 -2.17 116.57 119.12 2hw4 h LYS 59 Ca 0.20 -0.03 -0.06 0.00 -0.85 0.00 0.00 60.65 59.91 2hw4 h LYS 59 Cb -0.03 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.58 2hw4 h LYS 59 CO -0.07 0.35 -0.08 0.28 -3.45 0.00 0.00 179.45 176.49 2hw4 h VAL 60 N -0.17 1.29 0.00 2.00 2.07 -0.69 -1.79 116.25 118.96 2hw4 h VAL 60 Ca 0.02 -1.11 -0.07 0.00 0.82 0.00 0.00 66.70 66.36 2hw4 h VAL 60 Cb 0.31 1.52 -0.01 0.00 -1.52 0.00 0.00 31.29 31.59 2hw4 h VAL 60 CO 0.00 0.34 -0.32 0.77 0.02 0.00 0.00 177.57 178.39 2hw4 h SER 61 N 0.20 0.00 0.04 0.57 4.64 -0.79 0.30 113.55 118.52 2hw4 h SER 61 Ca 0.06 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.38 2hw4 h SER 61 Cb 0.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 2hw4 h SER 61 CO 0.03 0.32 -0.02 1.23 -0.87 0.00 0.00 176.83 177.52 2hw4 h GLY 62 N 1.53 -0.06 0.36 -0.77 0.00 -1.00 -0.87 103.07 102.27 2hw4 h GLY 62 Ca -0.00 0.02 0.10 0.00 0.00 0.00 0.00 47.33 47.44 2hw4 h GLY 62 CO 0.04 -0.02 0.21 -0.55 0.00 0.00 0.00 176.54 176.22 2hw4 h ASP 63 N -0.37 0.19 -0.59 0.19 3.32 -0.94 -1.38 116.42 116.83 2hw4 h ASP 63 Ca -0.01 0.08 -0.05 0.00 0.02 0.00 0.00 57.03 57.07 2hw4 h ASP 63 Cb 0.33 0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.93 2hw4 h ASP 63 CO 0.01 0.11 0.16 0.24 -1.72 0.00 0.00 179.24 178.04 2hw4 h MET 64 N 0.38 0.94 -0.37 3.56 2.86 -0.84 -2.62 114.93 118.85 2hw4 h MET 64 Ca 0.31 -0.22 -0.04 0.00 -2.06 0.00 0.00 59.70 57.69 2hw4 h MET 64 Cb 0.39 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.90 2hw4 h MET 64 CO -0.32 0.86 0.06 0.37 1.06 0.00 0.00 176.91 178.93 2hw4 h GLN 65 N 0.85 0.55 -0.26 1.72 5.75 -0.63 0.11 115.11 123.21 2hw4 h GLN 65 Ca 0.19 -0.10 0.05 0.00 -0.15 0.00 0.00 58.65 58.64 2hw4 h GLN 65 Cb 0.33 -0.09 -0.01 0.00 1.07 0.00 0.00 27.48 28.78 2hw4 h GLN 65 CO -0.00 0.53 0.18 0.87 -2.65 0.00 0.00 178.83 177.76 2hw4 h LYS 66 N 0.53 0.10 -0.65 1.69 1.57 -0.88 -1.96 116.57 116.97 2hw4 h LYS 66 Ca 0.12 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 2hw4 h LYS 66 Cb 0.26 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.55 2hw4 h LYS 66 CO 0.00 0.07 0.00 1.04 -0.57 0.00 0.00 179.45 179.99 2hw4 n GLN 67 N -4.48 3.08 -1.18 3.15 6.02 0.27 -4.94 117.38 119.30 2hw4 n GLN 67 Ca 0.03 -2.46 -0.06 0.00 -0.01 0.00 0.00 57.00 54.50 2hw4 n GLN 67 Cb 0.26 -1.71 -0.03 0.00 1.02 0.00 0.00 30.24 29.79 2hw4 n GLN 67 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2hw4 n GLY 68 N 1.23 0.85 3.54 1.08 0.00 -0.74 -4.37 105.19 106.77 2hw4 n GLY 68 Ca 0.22 -0.63 -0.34 0.00 0.00 0.00 0.00 46.02 45.28 2hw4 n GLY 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hw4 s ASP 70 N -0.34 6.38 0.13 0.00 2.15 -0.73 -2.85 116.67 121.42 2hw4 s ASP 70 Ca 0.05 0.39 0.07 0.00 0.43 0.00 0.00 52.55 53.49 2hw4 s ASP 70 Cb -0.12 -2.01 -0.04 0.00 -0.30 0.00 0.00 42.92 40.45 2hw4 s ASP 70 CO 0.02 -0.04 -0.16 0.00 -0.17 0.00 0.00 175.17 174.83 2hw4 s GLU 72 N -2.69 1.16 -0.21 0.00 2.02 0.07 -4.99 118.70 114.06 2hw4 s GLU 72 Ca 0.11 -0.37 -0.22 0.00 0.02 0.00 0.00 54.97 54.51 2hw4 s GLU 72 Cb -0.05 -1.06 -0.02 0.00 0.10 0.00 0.00 34.13 33.10 2hw4 s GLU 72 CO 0.04 0.13 0.71 0.00 0.02 0.00 0.00 175.26 176.16 2hw4 n LEU 74 N 5.33 0.98 0.00 0.00 4.77 0.14 -4.95 117.00 123.26 2hw4 n LEU 74 Ca 0.01 -0.27 0.00 0.00 -0.03 0.00 0.00 56.01 55.72 2hw4 n LEU 74 Cb 0.49 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 2hw4 n LEU 74 CO 0.45 0.20 0.00 0.61 -1.33 0.00 0.00 177.39 177.33 2hw4 n GLY 75 N 1.43 1.00 0.88 -0.72 0.00 -1.22 -4.49 105.19 102.07 2hw4 n GLY 75 Ca 0.08 -1.70 -0.03 0.00 0.00 0.00 0.00 46.02 44.37 2hw4 n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hw4 n GLY 76 N -1.68 2.64 0.00 -0.02 0.00 -0.04 -0.97 105.19 105.13 2hw4 n GLY 76 Ca 0.00 -1.36 0.00 0.00 0.00 0.00 0.00 46.02 44.66 2hw4 n GLY 76 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hw4 n GLY 77 N -0.15 -0.85 3.31 -0.02 0.00 -0.20 -1.61 105.19 105.68 2hw4 n GLY 77 Ca -0.00 -0.19 -0.20 0.00 0.00 0.00 0.00 46.02 45.62 2hw4 n GLY 77 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2hw4 s ARG 78 N -0.53 1.21 -0.06 1.61 0.52 0.76 -1.15 118.95 121.32 2hw4 s ARG 78 Ca 0.00 -1.39 0.04 0.00 -0.52 0.00 0.00 55.73 53.87 2hw4 s ARG 78 Cb 0.00 -1.18 -0.00 0.00 0.52 0.00 0.00 34.95 34.29 2hw4 s ARG 78 CO 0.00 0.23 -0.19 0.42 0.02 0.00 0.00 175.30 175.79 2hw4 s ILE 79 N -2.20 1.58 -0.32 1.52 1.01 0.15 -0.99 121.20 121.96 2hw4 s ILE 79 Ca 0.15 -0.78 -0.08 0.00 0.00 0.00 0.00 60.65 59.94 2hw4 s ILE 79 Cb -0.05 -1.37 0.02 0.00 0.01 0.00 0.00 42.46 41.07 2hw4 s ILE 79 CO 0.06 0.45 0.11 -0.55 0.00 0.00 0.00 174.94 175.01 2hw4 s SER 80 N 0.19 5.31 -0.32 3.58 0.15 0.70 -1.39 113.70 121.91 2hw4 s SER 80 Ca -0.09 -0.83 -0.06 0.00 0.70 0.00 0.00 55.95 55.67 2hw4 s SER 80 Cb -0.14 -1.91 0.03 0.00 -1.71 0.00 0.00 66.02 62.29 2hw4 s SER 80 CO 0.04 -0.25 0.09 -2.28 1.20 0.00 0.00 173.24 172.03 2hw4 s HIS 81 N 1.50 3.22 -0.47 3.44 2.46 0.41 -1.13 115.29 124.72 2hw4 s HIS 81 Ca 0.02 -1.31 -0.06 0.00 0.47 0.00 0.00 55.06 54.17 2hw4 s HIS 81 Cb -0.18 -2.26 0.12 0.00 -0.13 0.00 0.00 32.58 30.14 2hw4 s HIS 81 CO 0.04 -0.69 0.31 -0.65 -2.47 0.00 0.00 174.74 171.28 2hw4 s GLN 82 N 1.42 2.34 0.20 2.88 -0.21 0.28 -1.00 119.66 125.57 2hw4 s GLN 82 Ca -0.00 -1.88 -0.06 0.00 0.02 0.00 0.00 55.36 53.44 2hw4 s GLN 82 Cb -0.19 -3.79 0.14 0.00 1.00 0.00 0.00 33.01 30.17 2hw4 s GLN 82 CO 0.02 -1.15 1.60 0.66 -2.12 0.00 0.00 175.29 174.30 2hw4 h SER 83 N 8.15 0.83 -0.59 5.90 4.64 -1.96 -0.69 113.55 129.82 2hw4 h SER 83 Ca -0.15 -0.31 0.12 0.00 -0.47 0.00 0.00 61.79 60.97 2hw4 h SER 83 Cb 1.05 -0.23 -0.10 0.00 -0.31 0.00 0.00 62.40 62.81 2hw4 h SER 83 CO 0.78 1.04 -0.02 1.56 -0.87 0.00 0.00 176.83 179.32 2hw4 h GLN 84 N 0.69 0.09 -0.01 4.77 4.20 -1.96 -1.71 115.11 121.19 2hw4 h GLN 84 Ca 0.09 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.79 2hw4 h GLN 84 Cb 0.78 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.54 2hw4 h GLN 84 CO 0.06 0.06 -0.26 -0.25 -0.67 0.00 0.00 178.83 177.77 2hw4 n ASP 85 N -5.29 1.35 -3.67 1.46 8.00 -1.11 -4.97 116.55 112.32 2hw4 n ASP 85 Ca 0.08 -1.13 -0.22 0.00 0.71 0.00 0.00 54.79 54.24 2hw4 n ASP 85 Cb 0.33 0.18 0.04 0.00 -0.02 0.00 0.00 41.12 41.65 2hw4 n ASP 85 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2hw4 n LYS 86 N -0.36 -4.51 -4.77 -1.24 5.02 -0.31 -4.83 118.16 107.16 2hw4 n LYS 86 Ca 0.12 0.63 -0.25 0.00 -2.02 0.00 0.00 58.31 56.79 2hw4 n LYS 86 Cb 0.38 -5.15 -0.16 0.00 -0.02 0.00 0.00 35.03 30.09 2hw4 n LYS 86 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2hw4 s LYS 87 N -5.87 1.48 -0.07 1.97 1.02 -0.93 -1.01 119.74 116.33 2hw4 s LYS 87 Ca 0.06 -0.57 0.01 0.00 0.02 0.00 0.00 55.97 55.49 2hw4 s LYS 87 Cb -0.02 -1.36 0.02 0.00 -0.52 0.00 0.00 37.83 35.95 2hw4 s LYS 87 CO 0.81 0.29 -0.07 0.42 -0.92 0.00 0.00 175.35 175.88 2hw4 s ILE 88 N -0.16 0.80 -0.08 2.17 1.01 -0.14 -0.56 121.20 124.24 2hw4 s ILE 88 Ca 0.01 -0.23 0.05 0.00 0.00 0.00 0.00 60.65 60.48 2hw4 s ILE 88 Cb -0.09 -0.81 -0.01 0.00 0.01 0.00 0.00 42.46 41.57 2hw4 s ILE 88 CO 0.01 0.30 -0.23 -2.28 0.00 0.00 0.00 174.94 172.74 2hw4 s HIS 89 N 1.18 2.53 -0.10 3.97 2.46 -0.28 -1.32 115.29 123.73 2hw4 s HIS 89 Ca -0.06 -0.79 0.03 0.00 0.47 0.00 0.00 55.06 54.70 2hw4 s HIS 89 Cb -0.14 -1.66 0.01 0.00 -0.13 0.00 0.00 32.58 30.66 2hw4 s HIS 89 CO -0.02 -0.26 -0.18 0.08 -2.47 0.00 0.00 174.74 171.89 2hw4 s VAL 90 N 0.02 1.68 0.22 0.89 1.01 -0.69 -0.22 120.40 123.32 2hw4 s VAL 90 Ca -0.09 -0.78 -0.21 0.00 0.00 0.00 0.00 61.98 60.91 2hw4 s VAL 90 Cb -0.15 -1.50 0.07 0.00 0.00 0.00 0.00 36.38 34.80 2hw4 s VAL 90 CO 0.05 0.48 0.98 -0.72 0.00 0.00 0.00 175.10 175.89 2hw4 s TYR 91 N 0.69 0.06 0.00 5.22 1.13 -0.16 -2.75 117.35 121.54 2hw4 s TYR 91 Ca -0.12 -0.51 0.00 0.00 -1.41 0.00 0.00 57.07 55.02 2hw4 s TYR 91 Cb -0.16 0.73 0.00 0.00 -1.10 0.00 0.00 41.96 41.42 2hw4 s TYR 91 CO 0.03 -1.05 0.00 0.41 -2.51 0.00 0.00 175.55 172.43 2hw4 n GLY 92 N -0.65 -1.40 3.30 5.49 0.00 -1.26 -0.17 105.19 110.50 2hw4 n GLY 92 Ca -0.04 -1.39 -0.14 0.00 0.00 0.00 0.00 46.02 44.45 2hw4 n GLY 92 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2hw4 s TYR 93 N 0.00 -0.32 -0.13 1.61 5.04 -1.25 -4.59 117.35 117.71 2hw4 s TYR 93 Ca 0.00 0.61 -0.01 0.00 -2.44 0.00 0.00 57.07 55.23 2hw4 s TYR 93 Cb 0.00 0.16 -0.02 0.00 0.35 0.00 0.00 41.96 42.45 2hw4 s TYR 93 CO 0.00 -0.38 -0.09 0.45 -1.34 0.00 0.00 175.55 174.19 2hw4 s SER 94 N -0.92 4.37 0.18 4.32 0.15 -1.09 -4.30 113.70 116.40 2hw4 s SER 94 Ca -0.10 -0.21 -0.10 0.00 0.70 0.00 0.00 55.95 56.23 2hw4 s SER 94 Cb -0.04 -1.59 0.09 0.00 -1.71 0.00 0.00 66.02 62.78 2hw4 s SER 94 CO 0.04 0.20 1.72 0.24 1.20 0.00 0.00 173.24 176.64 2hw4 h MET 95 N 6.47 0.99 -0.43 5.44 0.00 -1.97 0.62 114.93 126.06 2hw4 h MET 95 Ca -0.31 -0.21 -0.12 0.00 0.00 0.00 0.00 59.70 59.05 2hw4 h MET 95 Cb 1.20 -0.15 -0.01 0.00 0.00 0.00 0.00 31.60 32.64 2hw4 h MET 95 CO 0.58 0.87 -0.23 0.00 0.00 0.00 0.00 176.91 178.13 2hw4 h ALA 96 N 1.08 0.78 -0.00 6.32 0.00 -2.02 -3.36 119.26 122.06 2hw4 h ALA 96 Ca 0.21 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2hw4 h ALA 96 Cb 0.28 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2hw4 h ALA 96 CO -0.01 0.65 -0.01 0.66 0.00 0.00 0.00 179.25 180.55 2hw4 n TYR 97 N -4.11 0.00 -0.31 0.00 4.01 -1.21 -5.10 117.16 110.44 2hw4 n TYR 97 Ca 0.00 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.78 2hw4 n TYR 97 Cb 0.45 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.47 2hw4 n TYR 97 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2hw4 n GLY 98 N 0.22 -1.72 3.74 2.72 0.00 0.21 -3.82 105.19 106.54 2hw4 n GLY 98 Ca 0.01 -1.44 -0.41 0.00 0.00 0.00 0.00 46.02 44.18 2hw4 n GLY 98 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2hw4 s PRO 99 N -1.72 4.35 0.70 1.61 0.04 -1.26 -0.86 135.00 137.86 2hw4 s PRO 99 Ca 0.00 2.12 -0.13 0.00 0.04 0.00 0.00 61.00 63.02 2hw4 s PRO 99 Cb 0.00 -3.18 0.02 0.00 0.04 0.00 0.00 34.50 31.38 2hw4 s PRO 99 CO 0.00 -0.31 1.10 0.00 0.04 0.00 0.00 177.00 177.83 2hw4 s ALA 100 N 0.17 2.42 -0.71 8.56 0.00 -0.63 -4.49 121.76 127.08 2hw4 s ALA 100 Ca 0.58 0.42 -0.26 0.00 0.00 0.00 0.00 51.96 52.70 2hw4 s ALA 100 Cb -0.38 -3.29 0.00 0.00 0.00 0.00 0.00 23.12 19.45 2hw4 s ALA 100 CO 0.39 -1.42 1.61 -0.65 0.00 0.00 0.00 175.76 175.69 2hw4 s GLN 101 N -4.41 2.90 0.52 0.00 -0.21 -1.26 -4.82 119.66 112.38 2hw4 s GLN 101 Ca 0.64 0.11 0.31 0.00 0.02 0.00 0.00 55.36 56.44 2hw4 s GLN 101 Cb -0.19 -4.41 1.25 0.00 1.00 0.00 0.00 33.01 30.66 2hw4 s GLN 101 CO 0.47 -2.52 1.95 0.45 -2.12 0.00 0.00 175.29 173.51 2hw4 h HIS 102 N 12.45 0.00 -0.72 0.91 3.86 -1.93 -0.22 115.15 129.51 2hw4 h HIS 102 Ca -0.21 0.00 0.04 0.00 -1.16 0.00 0.00 60.37 59.04 2hw4 h HIS 102 Cb 1.10 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 29.53 2hw4 h HIS 102 CO 1.10 0.06 0.48 0.00 0.86 0.00 0.00 177.93 180.43 2hw4 h ALA 103 N 1.94 1.61 -0.11 2.45 0.00 -1.93 0.12 119.26 123.33 2hw4 h ALA 103 Ca -0.00 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 2hw4 h ALA 103 Cb 0.57 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 2hw4 h ALA 103 CO 0.01 0.31 -0.15 0.82 0.00 0.00 0.00 179.25 180.24 2hw4 h ILE 104 N 0.85 1.37 -0.41 0.00 2.04 -1.44 -2.38 117.51 117.54 2hw4 h ILE 104 Ca 0.29 -1.37 0.06 0.00 1.00 0.00 0.00 64.86 64.85 2hw4 h ILE 104 Cb 0.10 2.01 -0.06 0.00 -0.74 0.00 0.00 36.82 38.14 2hw4 h ILE 104 CO -0.09 0.39 0.07 0.28 0.00 0.00 0.00 178.15 178.81 2hw4 h SER 105 N -0.12 -0.01 0.06 1.72 0.02 -1.38 -1.63 113.55 112.21 2hw4 h SER 105 Ca 0.01 0.07 -0.04 0.00 -0.84 0.00 0.00 61.79 60.99 2hw4 h SER 105 Cb 0.70 0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.33 2hw4 h SER 105 CO 0.04 0.03 -0.14 0.71 -1.14 0.00 0.00 176.83 176.33 2hw4 h THR 106 N 0.20 1.16 -0.41 -2.27 1.35 -0.75 -1.55 112.91 110.64 2hw4 h THR 106 Ca 0.20 -0.70 0.03 0.00 -0.55 0.00 0.00 66.41 65.38 2hw4 h THR 106 Cb 0.24 1.23 -0.03 0.00 -1.73 0.00 0.00 68.15 67.86 2hw4 h THR 106 CO -0.26 0.21 0.21 -0.33 -0.25 0.00 0.00 175.52 175.10 2hw4 h GLU 107 N 0.15 0.42 -0.29 4.72 5.08 -0.77 0.11 114.58 124.01 2hw4 h GLU 107 Ca 0.03 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 2hw4 h GLU 107 Cb 0.34 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 2hw4 h GLU 107 CO 0.02 0.28 0.14 0.87 -1.00 0.00 0.00 179.01 179.32 2hw4 h LYS 108 N 0.43 0.42 -0.32 2.33 1.79 -0.93 -2.69 116.57 117.60 2hw4 h LYS 108 Ca 0.17 -0.06 -0.01 0.00 -2.18 0.00 0.00 60.65 58.57 2hw4 h LYS 108 Cb 0.06 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 30.62 2hw4 h LYS 108 CO -0.11 0.40 0.16 0.82 -1.08 0.00 0.00 179.45 179.64 2hw4 h ILE 109 N 0.34 1.15 -0.68 1.86 2.04 -1.06 -2.78 117.51 118.38 2hw4 h ILE 109 Ca 0.10 -0.42 -0.02 0.00 1.00 0.00 0.00 64.86 65.52 2hw4 h ILE 109 Cb 0.12 0.84 -0.03 0.00 -0.74 0.00 0.00 36.82 37.00 2hw4 h ILE 109 CO -0.01 0.16 0.35 0.50 0.00 0.00 0.00 178.15 179.14 2hw4 h LYS 110 N 0.39 0.95 -0.81 2.37 1.63 -0.76 0.19 116.57 120.52 2hw4 h LYS 110 Ca 0.11 -0.11 0.04 0.00 -0.85 0.00 0.00 60.65 59.84 2hw4 h LYS 110 Cb 0.10 -0.19 -0.05 0.00 -0.60 0.00 0.00 32.23 31.50 2hw4 h LYS 110 CO -0.02 0.71 0.53 0.00 -3.45 0.00 0.00 179.45 177.23 2hw4 h ALA 111 N 1.43 1.53 0.00 5.00 0.00 -1.29 -0.48 119.26 125.45 2hw4 h ALA 111 Ca 0.24 -0.04 -0.25 0.00 0.00 0.00 0.00 54.91 54.86 2hw4 h ALA 111 Cb 0.06 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.54 2hw4 h ALA 111 CO -0.04 0.37 -1.55 -0.22 0.00 0.00 0.00 179.25 177.82 2hw4 h LYS 112 N 0.97 0.00 -2.25 0.00 3.64 -1.09 -3.39 116.57 114.45 2hw4 h LYS 112 Ca 0.33 0.00 -0.58 0.00 -1.27 0.00 0.00 60.65 59.13 2hw4 h LYS 112 Cb 0.08 0.00 -0.42 0.00 -0.41 0.00 0.00 32.23 31.49 2hw4 h LYS 112 CO -0.10 0.50 -0.69 0.66 -2.27 0.00 0.00 179.45 177.55 2hw4 n TYR 113 N -3.04 3.66 0.28 1.91 4.01 0.58 -4.96 117.16 119.60 2hw4 n TYR 113 Ca -0.13 -4.00 0.14 0.00 -0.16 0.00 0.00 57.90 53.75 2hw4 n TYR 113 Cb 0.99 -0.49 0.81 0.00 -0.31 0.00 0.00 39.34 40.34 2hw4 n TYR 113 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 2hw4 h PRO 114 N 3.10 0.00 -0.09 -0.72 0.13 -1.29 -1.57 132.00 131.57 2hw4 h PRO 114 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 2hw4 h PRO 114 Cb 0.56 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.69 2hw4 h PRO 114 CO 0.79 0.07 0.00 -0.40 -0.23 0.00 0.00 178.00 178.23 2hw4 n ASP 115 N -3.71 1.15 -4.91 1.44 5.75 -1.26 -4.86 116.55 110.15 2hw4 n ASP 115 Ca -0.02 -1.54 -0.28 0.00 -0.01 0.00 0.00 54.79 52.93 2hw4 n ASP 115 Cb 0.17 -0.05 -0.03 0.00 -1.03 0.00 0.00 41.12 40.19 2hw4 n ASP 115 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 2hw4 s TYR 116 N -1.90 3.48 -0.25 2.11 4.12 -0.59 -4.99 117.35 119.33 2hw4 s TYR 116 Ca 0.34 0.66 -0.26 0.00 0.02 0.00 0.00 57.07 57.83 2hw4 s TYR 116 Cb 0.18 -2.13 0.00 0.00 -1.52 0.00 0.00 41.96 38.49 2hw4 s TYR 116 CO 0.28 0.11 0.91 -1.21 0.02 0.00 0.00 175.55 175.66 2hw4 s GLU 117 N -3.74 4.17 -0.22 -0.62 2.02 -0.18 -4.98 118.70 115.14 2hw4 s GLU 117 Ca 0.44 1.04 0.01 0.00 0.02 0.00 0.00 54.97 56.48 2hw4 s GLU 117 Cb -0.10 -3.66 0.03 0.00 0.10 0.00 0.00 34.13 30.49 2hw4 s GLU 117 CO 0.32 -0.61 -0.13 0.08 0.02 0.00 0.00 175.26 174.93 2hw4 s VAL 118 N 3.05 2.33 0.18 2.63 1.01 -1.26 -0.97 120.40 127.38 2hw4 s VAL 118 Ca 0.38 -1.15 0.09 0.00 0.00 0.00 0.00 61.98 61.30 2hw4 s VAL 118 Cb -0.15 -2.15 -0.04 0.00 0.00 0.00 0.00 36.38 34.04 2hw4 s VAL 118 CO 0.08 0.29 -0.18 0.42 0.00 0.00 0.00 175.10 175.71 2hw4 s THR 119 N 1.25 1.91 0.16 3.92 -4.23 -0.43 -5.00 115.64 113.22 2hw4 s THR 119 Ca -0.00 -2.01 0.02 0.00 -1.18 0.00 0.00 61.69 58.51 2hw4 s THR 119 Cb -0.16 -1.94 -0.04 0.00 1.34 0.00 0.00 72.50 71.70 2hw4 s THR 119 CO -0.08 -0.34 -0.00 -1.66 -0.54 0.00 0.00 174.62 171.99 2hw4 s TRP 120 N -2.18 1.14 0.01 3.99 -2.14 -1.26 -1.70 118.94 116.80 2hw4 s TRP 120 Ca 0.18 -1.02 0.08 0.00 2.66 0.00 0.00 56.10 58.00 2hw4 s TRP 120 Cb -0.05 -0.65 -0.02 0.00 -3.10 0.00 0.00 33.47 29.65 2hw4 s TRP 120 CO 0.08 -0.23 -0.23 0.00 -2.66 0.00 0.00 176.95 173.91 2hw4 s ALA 121 N -3.69 1.92 0.00 2.67 0.00 -1.11 -4.96 121.76 116.60 2hw4 s ALA 121 Ca 0.22 -1.06 0.00 0.00 0.00 0.00 0.00 51.96 51.12 2hw4 s ALA 121 Cb 0.06 -0.44 0.00 0.00 0.00 0.00 0.00 23.12 22.74 2hw4 s ALA 121 CO 0.03 0.46 0.00 0.09 0.00 0.00 0.00 175.76 176.33