#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hl4 s LEU 41 N 0.00 2.46 0.00 0.99 1.43 -1.26 -5.06 118.68 117.24 3hl4 s LEU 41 Ca 0.00 -0.89 0.00 0.00 -1.03 0.00 0.00 54.13 52.21 3hl4 s LEU 41 Cb 0.00 -0.54 0.00 0.00 0.03 0.00 0.00 46.19 45.68 3hl4 s LEU 41 CO 0.00 -0.18 0.00 0.54 0.23 0.00 0.00 176.35 176.94 3hl4 n ARG 42 N 0.22 2.03 -4.37 1.70 1.74 -1.26 -5.07 116.66 111.65 3hl4 n ARG 42 Ca -0.13 0.00 -0.23 0.00 -0.77 0.00 0.00 57.85 56.72 3hl4 n ARG 42 Cb 0.58 -0.89 -0.11 0.00 -1.02 0.00 0.00 32.46 31.02 3hl4 n ARG 42 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3hl4 s GLN 43 N -1.64 1.37 0.84 5.56 -1.52 -1.26 -5.12 119.66 117.88 3hl4 s GLN 43 Ca 0.00 -1.46 -0.12 0.00 -1.95 0.00 0.00 55.36 51.83 3hl4 s GLN 43 Cb 0.00 -1.51 0.10 0.00 -0.22 0.00 0.00 33.01 31.38 3hl4 s GLN 43 CO 0.00 0.31 1.18 -2.30 -0.25 0.00 0.00 175.29 174.23 3hl4 n PRO 44 N 0.25 0.01 -1.74 2.91 -0.02 -1.26 -4.93 135.00 130.21 3hl4 n PRO 44 Ca -0.13 0.08 -0.42 0.00 -2.02 0.00 0.00 63.50 61.02 3hl4 n PRO 44 Cb 0.57 -2.41 -0.02 0.00 -0.02 0.00 0.00 33.50 31.61 3hl4 n PRO 44 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hl4 s ALA 45 N -2.26 3.85 0.66 3.55 0.00 -0.05 -4.96 121.76 122.54 3hl4 s ALA 45 Ca 0.71 1.59 -0.14 0.00 0.00 0.00 0.00 51.96 54.12 3hl4 s ALA 45 Cb -0.27 -3.68 -0.00 0.00 0.00 0.00 0.00 23.12 19.17 3hl4 s ALA 45 CO 0.53 -0.96 1.09 -1.25 0.00 0.00 0.00 175.76 175.17 3hl4 s PRO 46 N 0.33 2.88 0.55 0.00 0.04 -1.26 -4.73 135.00 132.81 3hl4 s PRO 46 Ca 0.69 1.29 -0.19 0.00 0.04 0.00 0.00 61.00 62.83 3hl4 s PRO 46 Cb -0.49 -1.97 -0.05 0.00 0.04 0.00 0.00 34.50 32.03 3hl4 s PRO 46 CO 0.40 -1.17 1.15 -0.06 0.04 0.00 0.00 177.00 177.36 3hl4 s PHE 47 N -2.47 2.60 0.43 0.56 0.08 -1.26 -1.86 117.98 116.06 3hl4 s PHE 47 Ca 0.65 1.53 0.18 0.00 0.12 0.00 0.00 56.93 59.41 3hl4 s PHE 47 Cb -0.19 -3.35 1.09 0.00 -0.57 0.00 0.00 43.02 40.01 3hl4 s PHE 47 CO 0.43 -1.75 1.88 1.03 -0.10 0.00 0.00 175.22 176.71 3hl4 h SER 48 N 1.17 0.38 0.90 1.36 0.87 -0.77 -0.32 113.55 117.13 3hl4 h SER 48 Ca -0.50 0.03 -0.02 0.00 -1.23 0.00 0.00 61.79 60.08 3hl4 h SER 48 Cb 1.27 -0.04 -0.00 0.00 -0.44 0.00 0.00 62.40 63.19 3hl4 h SER 48 CO 0.57 0.17 -0.08 0.44 -0.53 0.00 0.00 176.83 177.40 3hl4 h ASP 49 N 0.39 0.00 0.00 6.23 3.32 -1.92 -2.85 116.42 121.59 3hl4 h ASP 49 Ca 0.43 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.48 3hl4 h ASP 49 Cb 1.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.63 3hl4 h ASP 49 CO -0.15 0.08 0.00 -0.62 -1.72 0.00 0.00 179.24 176.83 3hl4 n GLU 50 N -3.23 0.94 -4.21 3.56 1.02 -0.13 -4.80 120.64 113.79 3hl4 n GLU 50 Ca 0.00 0.00 -0.34 0.00 -0.02 0.00 0.00 57.16 56.80 3hl4 n GLU 50 Cb 0.33 -1.50 -0.14 0.00 -0.02 0.00 0.00 31.44 30.10 3hl4 n GLU 50 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3hl4 s ILE 51 N -2.00 3.14 0.02 -3.67 1.09 -1.08 -5.03 121.20 113.66 3hl4 s ILE 51 Ca 0.45 -0.59 -0.30 0.00 -1.10 0.00 0.00 60.65 59.11 3hl4 s ILE 51 Cb 0.21 -2.38 -0.07 0.00 -1.06 0.00 0.00 42.46 39.15 3hl4 s ILE 51 CO 0.35 0.47 1.71 -1.83 -0.10 0.00 0.00 174.94 175.54 3hl4 s GLU 52 N 1.07 4.18 -0.24 2.79 1.03 -1.26 -5.00 118.70 121.27 3hl4 s GLU 52 Ca 0.00 2.33 0.02 0.00 0.03 0.00 0.00 54.97 57.35 3hl4 s GLU 52 Cb -0.15 -3.83 0.05 0.00 -0.80 0.00 0.00 34.13 29.40 3hl4 s GLU 52 CO -0.02 -0.81 -0.13 0.08 -1.33 0.00 0.00 175.26 173.06 3hl4 s VAL 53 N 3.44 2.08 -0.29 1.83 1.01 -1.26 -5.10 120.40 122.11 3hl4 s VAL 53 Ca 0.76 -1.43 -0.29 0.00 0.00 0.00 0.00 61.98 61.03 3hl4 s VAL 53 Cb -0.38 -2.13 -0.02 0.00 0.00 0.00 0.00 36.38 33.85 3hl4 s VAL 53 CO 0.33 0.10 1.73 -0.62 0.00 0.00 0.00 175.10 176.64 3hl4 s ASP 54 N 1.18 6.07 0.00 3.32 2.15 -1.26 -4.87 116.67 123.26 3hl4 s ASP 54 Ca -0.05 1.40 0.27 0.00 0.43 0.00 0.00 52.55 54.60 3hl4 s ASP 54 Cb -0.18 -2.53 0.81 0.00 -0.30 0.00 0.00 42.92 40.72 3hl4 s ASP 54 CO -0.07 -1.54 1.60 0.49 -0.17 0.00 0.00 175.17 175.48 3hl4 n PHE 55 N 9.59 0.00 1.30 -5.34 3.72 -1.26 -3.76 117.46 121.71 3hl4 n PHE 55 Ca 0.21 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.61 3hl4 n PHE 55 Cb 0.46 -0.06 0.00 0.00 -0.94 0.00 0.00 39.48 38.94 3hl4 n PHE 55 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3hl4 n SER 56 N -0.20 0.51 -4.08 4.37 2.88 -1.26 -4.41 113.62 111.43 3hl4 n SER 56 Ca 0.15 -1.81 -0.32 0.00 -1.33 0.00 0.00 58.87 55.55 3hl4 n SER 56 Cb 0.37 -0.26 -0.15 0.00 -0.75 0.00 0.00 64.21 63.42 3hl4 n SER 56 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 3hl4 s LYS 57 N -1.44 2.44 0.59 -1.46 1.02 -1.25 -5.13 119.74 114.52 3hl4 s LYS 57 Ca 0.00 -1.21 -0.20 0.00 0.02 0.00 0.00 55.97 54.58 3hl4 s LYS 57 Cb 0.00 -2.80 -0.03 0.00 -0.52 0.00 0.00 37.83 34.48 3hl4 s LYS 57 CO 0.00 -0.47 1.33 -2.14 -0.92 0.00 0.00 175.35 173.15 3hl4 s PRO 58 N 1.15 2.86 -0.66 -1.68 0.02 -1.26 -4.91 135.00 130.51 3hl4 s PRO 58 Ca -0.05 2.17 -0.26 0.00 0.02 0.00 0.00 61.00 62.87 3hl4 s PRO 58 Cb -0.18 -2.06 -0.04 0.00 0.02 0.00 0.00 34.50 32.23 3hl4 s PRO 58 CO -0.07 -1.39 2.00 -0.47 -0.33 0.00 0.00 177.00 176.74 3hl4 s TYR 59 N -1.34 1.56 -0.23 6.54 5.04 -1.26 -4.92 117.35 122.73 3hl4 s TYR 59 Ca 0.77 0.96 0.01 0.00 -2.44 0.00 0.00 57.07 56.37 3hl4 s TYR 59 Cb -0.39 -3.96 0.06 0.00 0.35 0.00 0.00 41.96 38.02 3hl4 s TYR 59 CO 0.44 -2.18 -0.08 0.08 -1.34 0.00 0.00 175.55 172.47 3hl4 s VAL 60 N 10.16 1.76 0.50 3.14 1.01 -1.26 -5.12 120.40 130.59 3hl4 s VAL 60 Ca 0.74 -1.30 -0.19 0.00 0.00 0.00 0.00 61.98 61.23 3hl4 s VAL 60 Cb -0.12 -1.93 -0.08 0.00 0.00 0.00 0.00 36.38 34.25 3hl4 s VAL 60 CO 0.16 -0.01 1.02 -0.13 0.00 0.00 0.00 175.10 176.14 3hl4 s ARG 61 N 1.30 3.81 0.19 2.72 0.52 -1.26 -5.04 118.95 121.19 3hl4 s ARG 61 Ca -0.06 1.25 -0.03 0.00 -0.52 0.00 0.00 55.73 56.37 3hl4 s ARG 61 Cb -0.19 -2.10 -0.05 0.00 0.52 0.00 0.00 34.95 33.13 3hl4 s ARG 61 CO -0.06 -0.40 0.42 0.54 0.02 0.00 0.00 175.30 175.81 3hl4 s VAL 62 N -2.17 5.15 0.54 3.52 0.11 -1.26 -5.09 120.40 121.20 3hl4 s VAL 62 Ca 0.65 -0.10 -0.06 0.00 -2.93 0.00 0.00 61.98 59.54 3hl4 s VAL 62 Cb -0.14 -3.68 -0.01 0.00 -1.53 0.00 0.00 36.38 31.01 3hl4 s VAL 62 CO 0.23 -0.11 0.85 0.42 -3.33 0.00 0.00 175.10 173.16 3hl4 s THR 63 N -1.82 4.20 0.27 5.04 -4.23 -1.26 -4.86 115.64 112.97 3hl4 s THR 63 Ca 0.41 0.09 -0.00 0.00 -1.18 0.00 0.00 61.69 61.01 3hl4 s THR 63 Cb -0.11 -3.63 0.27 0.00 1.34 0.00 0.00 72.50 70.37 3hl4 s THR 63 CO 0.27 -0.64 1.68 0.24 -0.54 0.00 0.00 174.62 175.64 3hl4 h MET 64 N -0.00 0.31 -0.15 3.99 2.86 -1.98 0.37 114.93 120.32 3hl4 h MET 64 Ca -0.46 -0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.14 3hl4 h MET 64 Cb 1.23 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.82 3hl4 h MET 64 CO 0.61 0.20 0.02 0.93 1.06 0.00 0.00 176.91 179.74 3hl4 h GLU 65 N 0.32 0.26 -0.32 1.72 3.07 -1.99 0.22 114.58 117.85 3hl4 h GLU 65 Ca 0.49 -0.07 -0.13 0.00 -0.50 0.00 0.00 59.36 59.16 3hl4 h GLU 65 Cb 0.91 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.77 3hl4 h GLU 65 CO -0.54 0.44 -0.32 0.93 -1.40 0.00 0.00 179.01 178.11 3hl4 h GLU 66 N 0.04 0.71 -0.19 2.33 5.08 -1.82 -2.83 114.58 117.90 3hl4 h GLU 66 Ca 0.05 -0.33 0.01 0.00 -1.00 0.00 0.00 59.36 58.09 3hl4 h GLU 66 Cb 0.30 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 3hl4 h GLU 66 CO 0.00 0.93 0.11 0.00 -1.00 0.00 0.00 179.01 179.06 3hl4 h ALA 67 N 1.04 0.24 0.00 3.43 0.00 0.14 -2.91 119.26 121.21 3hl4 h ALA 67 Ca 0.07 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 3hl4 h ALA 67 Cb 0.84 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 3hl4 h ALA 67 CO 0.07 -0.30 -0.32 0.00 0.00 0.00 0.00 179.25 178.71 3hl4 h ARG 69 N 0.00 0.00 0.00 0.00 3.08 -1.31 -3.43 114.38 112.72 3hl4 h ARG 69 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3hl4 h ARG 69 Cb 0.64 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.69 3hl4 h ARG 69 CO 0.04 0.36 0.00 0.41 -1.07 0.00 0.00 179.97 179.71 3hl4 n GLY 70 N 0.05 2.18 3.91 0.04 0.00 -0.98 -5.02 105.19 105.37 3hl4 n GLY 70 Ca -0.01 -1.14 -0.27 0.00 0.00 0.00 0.00 46.02 44.60 3hl4 n GLY 70 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hl4 s THR 71 N 0.00 4.92 0.54 2.61 -4.23 -1.26 -4.93 115.64 113.28 3hl4 s THR 71 Ca 0.00 0.19 -0.20 0.00 -1.18 0.00 0.00 61.69 60.50 3hl4 s THR 71 Cb 0.00 -3.84 -0.08 0.00 1.34 0.00 0.00 72.50 69.92 3hl4 s THR 71 CO 0.00 -0.76 0.76 -2.65 -0.54 0.00 0.00 174.62 171.44 3hl4 n PRO 72 N -2.03 0.80 -0.33 3.99 -0.02 -1.26 -4.84 135.00 131.32 3hl4 n PRO 72 Ca 0.00 0.30 0.20 0.00 -2.02 0.00 0.00 63.50 61.98 3hl4 n PRO 72 Cb 0.55 -1.90 0.38 0.00 -0.02 0.00 0.00 33.50 32.51 3hl4 n PRO 72 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hl4 n GLU 74 N -5.36 0.57 -3.20 0.00 0.28 -1.26 -4.09 120.64 107.58 3hl4 n GLU 74 Ca 0.27 0.01 -0.24 0.00 -0.16 0.00 0.00 57.16 57.05 3hl4 n GLU 74 Cb 0.90 -1.50 -0.06 0.00 1.43 0.00 0.00 31.44 32.22 3hl4 n GLU 74 CO 0.00 0.00 0.00 -2.13 -0.16 0.00 0.00 177.13 174.84 3hl4 n ARG 75 N -1.19 1.72 -1.79 3.44 3.00 0.17 -5.10 116.66 116.91 3hl4 n ARG 75 Ca 0.16 -3.94 -0.36 0.00 -0.00 0.00 0.00 57.85 53.71 3hl4 n ARG 75 Cb 0.18 -1.79 0.06 0.00 0.00 0.00 0.00 32.46 30.91 3hl4 n ARG 75 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 3hl4 s PRO 76 N -2.26 2.62 -0.04 -0.14 0.04 -1.25 -4.40 135.00 129.57 3hl4 s PRO 76 Ca 0.40 1.96 -0.30 0.00 0.04 0.00 0.00 61.00 63.10 3hl4 s PRO 76 Cb 0.23 -1.87 -0.04 0.00 0.04 0.00 0.00 34.50 32.86 3hl4 s PRO 76 CO -0.08 -1.51 1.34 0.08 0.04 0.00 0.00 177.00 176.87 3hl4 s VAL 77 N -1.52 3.93 -0.40 -0.36 1.01 0.40 -4.78 120.40 118.68 3hl4 s VAL 77 Ca 0.80 1.26 -0.16 0.00 0.00 0.00 0.00 61.98 63.89 3hl4 s VAL 77 Cb -0.34 -3.81 0.01 0.00 0.00 0.00 0.00 36.38 32.23 3hl4 s VAL 77 CO 0.38 -0.02 0.37 -0.13 0.00 0.00 0.00 175.10 175.70 3hl4 s ARG 78 N 2.60 3.19 -0.10 2.72 0.52 -1.26 -0.55 118.95 126.06 3hl4 s ARG 78 Ca 0.61 -0.75 -0.01 0.00 -0.52 0.00 0.00 55.73 55.06 3hl4 s ARG 78 Cb -0.28 -3.92 -0.03 0.00 0.52 0.00 0.00 34.95 31.23 3hl4 s ARG 78 CO 0.24 -0.73 -0.05 0.08 0.02 0.00 0.00 175.30 174.86 3hl4 s VAL 79 N 1.96 3.85 -0.14 3.52 1.01 -0.34 -0.67 120.40 129.59 3hl4 s VAL 79 Ca 0.10 -0.41 -0.01 0.00 0.00 0.00 0.00 61.98 61.66 3hl4 s VAL 79 Cb -0.17 -2.62 -0.02 0.00 0.00 0.00 0.00 36.38 33.57 3hl4 s VAL 79 CO 0.12 0.56 -0.11 -0.47 0.00 0.00 0.00 175.10 175.20 3hl4 s TYR 80 N -0.42 2.85 -0.11 5.22 5.04 0.47 -0.82 117.35 129.58 3hl4 s TYR 80 Ca 0.06 -0.61 0.03 0.00 -2.44 0.00 0.00 57.07 54.11 3hl4 s TYR 80 Cb -0.12 -1.87 0.01 0.00 0.35 0.00 0.00 41.96 40.33 3hl4 s TYR 80 CO 0.02 -0.20 -0.20 0.00 -1.34 0.00 0.00 175.55 173.83 3hl4 s ALA 81 N 0.39 1.97 0.38 3.97 0.00 -0.75 0.76 121.76 128.48 3hl4 s ALA 81 Ca -0.09 -0.89 0.08 0.00 0.00 0.00 0.00 51.96 51.06 3hl4 s ALA 81 Cb -0.16 -0.85 -0.05 0.00 0.00 0.00 0.00 23.12 22.06 3hl4 s ALA 81 CO 0.05 0.06 0.12 0.16 0.00 0.00 0.00 175.76 176.15 3hl4 s ASP 82 N 0.71 4.36 0.00 0.00 -4.77 -1.26 -1.48 116.67 114.23 3hl4 s ASP 82 Ca -0.11 -1.03 0.00 0.00 -3.30 0.00 0.00 52.55 48.11 3hl4 s ASP 82 Cb -0.16 -0.53 0.00 0.00 -1.09 0.00 0.00 42.92 41.14 3hl4 s ASP 82 CO 0.02 -0.41 0.00 0.61 0.70 0.00 0.00 175.17 176.08 3hl4 n GLY 83 N -1.13 0.59 0.12 2.12 0.00 -0.74 -4.92 105.19 101.23 3hl4 n GLY 83 Ca -0.02 -0.92 -0.21 0.00 0.00 0.00 0.00 46.02 44.87 3hl4 n GLY 83 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3hl4 h ILE 84 N 0.34 1.11 -4.43 -0.61 1.08 -1.91 -2.19 117.51 110.91 3hl4 h ILE 84 Ca 0.00 -2.37 -0.35 0.00 -0.39 0.00 0.00 64.86 61.75 3hl4 h ILE 84 Cb 0.00 2.73 0.08 0.00 -3.07 0.00 0.00 36.82 36.56 3hl4 h ILE 84 CO 0.00 0.63 -0.55 0.49 -0.69 0.00 0.00 178.15 178.03 3hl4 n PHE 85 N -4.08 -2.03 -2.47 1.37 3.72 -1.26 -4.68 117.46 108.03 3hl4 n PHE 85 Ca -0.24 0.62 -0.41 0.00 -0.05 0.00 0.00 57.45 57.37 3hl4 n PHE 85 Cb 0.82 -4.23 -0.04 0.00 -0.94 0.00 0.00 39.48 35.09 3hl4 n PHE 85 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 3hl4 s ASP 86 N -2.96 7.18 -1.38 4.37 2.15 -1.26 -2.78 116.67 122.00 3hl4 s ASP 86 Ca 0.36 2.08 -0.02 0.00 0.43 0.00 0.00 52.55 55.40 3hl4 s ASP 86 Cb -0.16 -2.60 0.01 0.00 -0.30 0.00 0.00 42.92 39.88 3hl4 s ASP 86 CO 0.45 -0.32 0.61 0.18 -0.17 0.00 0.00 175.17 175.92 3hl4 n LEU 87 N 2.90 -2.66 -4.39 -1.34 4.77 -1.26 -4.69 117.00 110.33 3hl4 n LEU 87 Ca 0.05 -0.90 -0.63 0.00 -0.03 0.00 0.00 56.01 54.50 3hl4 n LEU 87 Cb 0.46 -2.46 -0.10 0.00 -2.33 0.00 0.00 43.42 39.00 3hl4 n LEU 87 CO 0.55 0.42 1.13 0.33 -1.33 0.00 0.00 177.39 178.48 3hl4 n PHE 88 N -4.36 1.59 -4.43 -1.77 7.35 -1.12 -4.87 117.46 109.84 3hl4 n PHE 88 Ca -0.26 1.04 -0.24 0.00 -0.76 0.00 0.00 57.45 57.23 3hl4 n PHE 88 Cb 0.66 -2.09 -0.08 0.00 0.35 0.00 0.00 39.48 38.33 3hl4 n PHE 88 CO 0.00 0.00 0.00 -3.38 -0.76 0.00 0.00 176.76 172.62 3hl4 s HIS 89 N 3.09 1.77 0.45 -5.13 -3.43 -1.26 -5.03 115.29 105.75 3hl4 s HIS 89 Ca 0.99 -1.46 0.14 0.00 -0.80 0.00 0.00 55.06 53.93 3hl4 s HIS 89 Cb -1.40 -0.99 1.00 0.00 -1.43 0.00 0.00 32.58 29.77 3hl4 s HIS 89 CO 0.75 -0.54 2.01 0.77 -2.00 0.00 0.00 174.74 175.72 3hl4 h SER 90 N 1.88 0.05 -0.57 7.38 0.02 -1.98 -0.63 113.55 119.71 3hl4 h SER 90 Ca -0.31 -0.01 0.04 0.00 -0.84 0.00 0.00 61.79 60.68 3hl4 h SER 90 Cb 1.26 -0.01 -0.05 0.00 0.14 0.00 0.00 62.40 63.74 3hl4 h SER 90 CO 0.48 0.19 0.31 1.23 -1.14 0.00 0.00 176.83 177.90 3hl4 h GLY 91 N 0.49 0.81 0.91 -3.77 0.00 -1.90 1.00 103.07 100.61 3hl4 h GLY 91 Ca 0.01 -0.22 -0.02 0.00 0.00 0.00 0.00 47.33 47.10 3hl4 h GLY 91 CO 0.02 0.15 0.12 0.45 0.00 0.00 0.00 176.54 177.27 3hl4 h HIS 92 N 0.60 0.45 -0.28 5.60 -0.00 -1.56 -1.49 115.15 118.46 3hl4 h HIS 92 Ca 0.25 -0.03 -0.10 0.00 -0.00 0.00 0.00 60.37 60.48 3hl4 h HIS 92 Cb 0.12 -0.13 -0.01 0.00 -0.00 0.00 0.00 27.41 27.38 3hl4 h HIS 92 CO -0.09 0.44 -0.24 0.00 -0.00 0.00 0.00 177.93 178.05 3hl4 h ALA 93 N 0.96 1.05 0.00 2.45 0.00 -0.95 -1.75 119.26 121.02 3hl4 h ALA 93 Ca 0.10 -0.35 -0.10 0.00 0.00 0.00 0.00 54.91 54.56 3hl4 h ALA 93 Cb 0.19 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3hl4 h ALA 93 CO -0.01 0.58 -0.47 0.00 0.00 0.00 0.00 179.25 179.35 3hl4 h ARG 94 N 0.48 0.00 -0.53 0.00 3.08 -0.64 0.93 114.38 117.70 3hl4 h ARG 94 Ca 0.07 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.06 3hl4 h ARG 94 Cb 0.68 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.71 3hl4 h ARG 94 CO 0.05 0.47 0.09 0.00 -1.07 0.00 0.00 179.97 179.50 3hl4 h ALA 95 N 1.53 0.70 -0.43 0.04 0.00 -0.58 -1.75 119.26 118.79 3hl4 h ALA 95 Ca -0.00 -0.24 -0.12 0.00 0.00 0.00 0.00 54.91 54.54 3hl4 h ALA 95 Cb 0.86 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 3hl4 h ALA 95 CO 0.06 0.44 -0.20 -0.07 0.00 0.00 0.00 179.25 179.49 3hl4 h LEU 96 N 0.76 0.92 -0.32 0.00 3.38 -1.10 -1.80 115.31 117.16 3hl4 h LEU 96 Ca 0.16 -0.40 0.05 0.00 0.09 0.00 0.00 57.88 57.79 3hl4 h LEU 96 Cb 0.40 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.85 3hl4 h LEU 96 CO 0.01 1.11 0.01 -0.03 0.09 0.00 0.00 178.44 179.63 3hl4 h MET 97 N 0.72 0.10 -0.30 1.13 4.05 -0.73 -0.70 114.93 119.19 3hl4 h MET 97 Ca 0.10 -0.01 0.04 0.00 -0.28 0.00 0.00 59.70 59.55 3hl4 h MET 97 Cb 0.76 -0.02 -0.04 0.00 -0.80 0.00 0.00 31.60 31.51 3hl4 h MET 97 CO 0.06 0.06 0.09 1.96 0.23 0.00 0.00 176.91 179.31 3hl4 h GLN 98 N 0.10 0.21 -0.76 0.39 4.20 -1.07 -1.56 115.11 116.62 3hl4 h GLN 98 Ca 0.15 -0.01 0.07 0.00 0.06 0.00 0.00 58.65 58.91 3hl4 h GLN 98 Cb 0.20 -0.05 -0.06 0.00 0.30 0.00 0.00 27.48 27.87 3hl4 h GLN 98 CO -0.25 0.14 0.45 0.00 -0.67 0.00 0.00 178.83 178.49 3hl4 h ALA 99 N 1.20 1.04 0.00 3.87 0.00 -1.15 -1.47 119.26 122.75 3hl4 h ALA 99 Ca 0.14 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 3hl4 h ALA 99 Cb 0.12 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3hl4 h ALA 99 CO -0.16 0.14 -0.23 -0.22 0.00 0.00 0.00 179.25 178.78 3hl4 h LYS 100 N 0.81 0.00 -0.19 0.00 1.63 -0.91 -3.05 116.57 114.85 3hl4 h LYS 100 Ca 0.34 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.14 3hl4 h LYS 100 Cb 0.21 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.84 3hl4 h LYS 100 CO -0.19 0.23 0.00 0.09 -3.45 0.00 0.00 179.45 176.13 3hl4 n ASN 101 N -3.88 2.44 -0.28 4.20 3.02 -0.60 -4.50 115.26 115.66 3hl4 n ASN 101 Ca -0.02 -1.82 0.04 0.00 -0.03 0.00 0.00 54.58 52.75 3hl4 n ASN 101 Cb 0.32 -0.12 0.25 0.00 -0.61 0.00 0.00 39.78 39.63 3hl4 n ASN 101 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3hl4 h LEU 102 N 3.38 0.87 -8.35 3.41 3.38 -1.30 -3.44 115.31 113.27 3hl4 h LEU 102 Ca 0.00 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.76 3hl4 h LEU 102 Cb 0.73 -0.19 -0.16 0.00 0.09 0.00 0.00 40.66 41.14 3hl4 h LEU 102 CO 0.00 0.57 -0.70 -0.36 0.09 0.00 0.00 178.44 178.04 3hl4 s PHE 103 N -5.87 0.77 0.40 1.13 0.08 -1.26 -4.94 117.98 108.29 3hl4 s PHE 103 Ca -0.11 -0.85 0.19 0.00 0.12 0.00 0.00 56.93 56.27 3hl4 s PHE 103 Cb 0.20 -0.47 1.07 0.00 -0.57 0.00 0.00 43.02 43.25 3hl4 s PHE 103 CO 0.79 -0.18 1.96 -1.35 -0.10 0.00 0.00 175.22 176.35 3hl4 h PRO 104 N 3.32 0.00 -3.27 0.24 0.11 -1.84 -3.33 132.00 127.22 3hl4 h PRO 104 Ca -0.35 0.00 -0.59 0.00 0.11 0.00 0.00 66.00 65.17 3hl4 h PRO 104 Cb 1.17 0.00 -0.40 0.00 0.11 0.00 0.00 31.00 31.88 3hl4 h PRO 104 CO 0.60 0.22 -0.76 1.21 -0.21 0.00 0.00 178.00 179.06 3hl4 s ASN 105 N -6.64 3.81 0.01 -2.05 2.47 -1.26 -5.04 114.94 106.23 3hl4 s ASN 105 Ca -0.03 -2.06 0.07 0.00 0.42 0.00 0.00 52.86 51.26 3hl4 s ASN 105 Cb 0.14 -0.90 -0.02 0.00 -1.45 0.00 0.00 41.25 39.02 3hl4 s ASN 105 CO 0.66 -0.35 -0.21 -0.89 -3.72 0.00 0.00 177.10 172.59 3hl4 s THR 106 N 1.09 1.66 -0.19 -5.21 2.01 -1.25 -0.45 115.64 113.30 3hl4 s THR 106 Ca 0.13 -1.04 0.01 0.00 0.31 0.00 0.00 61.69 61.10 3hl4 s THR 106 Cb -0.21 -1.41 0.03 0.00 0.01 0.00 0.00 72.50 70.92 3hl4 s THR 106 CO -0.13 0.34 -0.15 -0.47 -0.69 0.00 0.00 174.62 173.52 3hl4 s TYR 107 N -0.64 2.58 -0.23 4.92 5.04 0.28 -4.86 117.35 124.45 3hl4 s TYR 107 Ca 0.08 -1.60 -0.09 0.00 -2.44 0.00 0.00 57.07 53.02 3hl4 s TYR 107 Cb -0.08 -1.76 -0.04 0.00 0.35 0.00 0.00 41.96 40.42 3hl4 s TYR 107 CO 0.00 -0.76 0.11 -1.17 -1.34 0.00 0.00 175.55 172.39 3hl4 s LEU 108 N 1.35 3.84 -0.17 6.97 2.96 -1.26 -1.20 118.68 131.16 3hl4 s LEU 108 Ca 0.02 0.00 -0.04 0.00 -0.22 0.00 0.00 54.13 53.89 3hl4 s LEU 108 Cb -0.15 -2.02 -0.02 0.00 0.50 0.00 0.00 46.19 44.50 3hl4 s LEU 108 CO -0.10 0.05 -0.04 -0.63 -1.32 0.00 0.00 176.35 174.31 3hl4 s ILE 109 N 1.11 3.71 -0.18 6.68 1.01 0.00 -0.98 121.20 132.56 3hl4 s ILE 109 Ca 0.06 -0.41 -0.02 0.00 0.00 0.00 0.00 60.65 60.28 3hl4 s ILE 109 Cb -0.14 -2.64 -0.01 0.00 0.01 0.00 0.00 42.46 39.68 3hl4 s ILE 109 CO 0.04 0.47 -0.10 -0.69 0.00 0.00 0.00 174.94 174.66 3hl4 s VAL 110 N 0.69 3.03 -0.15 2.92 1.01 0.65 -1.80 120.40 126.75 3hl4 s VAL 110 Ca -0.02 -0.63 -0.09 0.00 0.00 0.00 0.00 61.98 61.23 3hl4 s VAL 110 Cb -0.15 -2.32 -0.05 0.00 0.00 0.00 0.00 36.38 33.87 3hl4 s VAL 110 CO 0.02 0.48 0.17 -0.83 0.00 0.00 0.00 175.10 174.95 3hl4 s GLY 111 N 0.97 2.14 -0.10 4.51 0.00 -0.55 -1.11 107.32 113.19 3hl4 s GLY 111 Ca -0.01 -0.61 0.03 0.00 0.00 0.00 0.00 44.72 44.12 3hl4 s GLY 111 CO -0.01 -0.07 -0.17 0.14 0.00 0.00 0.00 173.10 172.99 3hl4 s VAL 112 N -0.37 1.58 0.41 1.40 1.01 -0.68 -1.79 120.40 121.97 3hl4 s VAL 112 Ca 0.13 -0.72 -0.19 0.00 0.00 0.00 0.00 61.98 61.21 3hl4 s VAL 112 Cb -0.12 -1.41 -0.10 0.00 0.00 0.00 0.00 36.38 34.75 3hl4 s VAL 112 CO 0.02 0.45 0.89 0.00 0.00 0.00 0.00 175.10 176.47 3hl4 s SER 114 N -2.33 4.46 0.19 0.00 1.04 -1.26 -4.81 113.70 110.99 3hl4 s SER 114 Ca 0.59 1.37 -0.12 0.00 0.48 0.00 0.00 55.95 58.27 3hl4 s SER 114 Cb -0.09 -2.11 0.15 0.00 0.10 0.00 0.00 66.02 64.06 3hl4 s SER 114 CO 0.17 -2.00 1.80 0.44 0.98 0.00 0.00 173.24 174.62 3hl4 h ASP 115 N -1.11 0.44 0.13 7.02 3.32 -1.95 -2.46 116.42 121.81 3hl4 h ASP 115 Ca -0.47 0.02 0.02 0.00 0.02 0.00 0.00 57.03 56.62 3hl4 h ASP 115 Cb 1.26 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 40.72 3hl4 h ASP 115 CO 0.58 0.30 -0.27 -0.08 -1.72 0.00 0.00 179.24 178.06 3hl4 h GLU 116 N 0.57 -0.46 -0.34 3.56 4.81 -1.99 0.85 114.58 121.59 3hl4 h GLU 116 Ca 0.24 0.03 0.05 0.00 -0.13 0.00 0.00 59.36 59.55 3hl4 h GLU 116 Cb 0.11 0.11 -0.05 0.00 0.63 0.00 0.00 28.75 29.55 3hl4 h GLU 116 CO -0.14 -0.31 0.06 -0.07 -0.73 0.00 0.00 179.01 177.81 3hl4 h LEU 117 N -0.48 -0.01 -0.35 1.64 4.07 -1.95 0.79 115.31 119.02 3hl4 h LEU 117 Ca 0.03 0.06 0.00 0.00 0.08 0.00 0.00 57.88 58.04 3hl4 h LEU 117 Cb 0.50 0.08 -0.02 0.00 1.08 0.00 0.00 40.66 42.31 3hl4 h LEU 117 CO -0.15 0.03 0.22 0.74 -1.08 0.00 0.00 178.44 178.21 3hl4 h THR 118 N 0.17 1.11 -0.73 0.22 2.02 -1.07 0.16 112.91 114.79 3hl4 h THR 118 Ca 0.16 -0.23 -0.03 0.00 0.77 0.00 0.00 66.41 67.08 3hl4 h THR 118 Cb 0.18 0.63 -0.03 0.00 -1.74 0.00 0.00 68.15 67.19 3hl4 h THR 118 CO -0.22 0.11 0.33 0.45 0.37 0.00 0.00 175.52 176.56 3hl4 h HIS 119 N 0.46 1.06 -0.68 3.16 3.86 -0.58 0.37 115.15 122.80 3hl4 h HIS 119 Ca 0.13 -0.06 -0.07 0.00 -1.16 0.00 0.00 60.37 59.21 3hl4 h HIS 119 Cb -0.02 -0.33 -0.03 0.00 1.06 0.00 0.00 27.41 28.10 3hl4 h HIS 119 CO -0.04 0.79 0.14 -0.91 0.86 0.00 0.00 177.93 178.77 3hl4 h ASN 120 N 1.02 1.05 0.00 2.45 2.35 -0.41 -3.36 115.58 118.69 3hl4 h ASN 120 Ca 0.25 -0.23 -0.05 0.00 -0.55 0.00 0.00 56.30 55.71 3hl4 h ASN 120 Cb 0.14 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.23 3hl4 h ASN 120 CO -0.03 1.02 -1.54 0.49 -1.65 0.00 0.00 177.43 175.72 3hl4 n PHE 121 N -4.22 0.00 0.02 1.19 3.72 0.01 -4.91 117.46 113.26 3hl4 n PHE 121 Ca 0.05 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.45 3hl4 n PHE 121 Cb 0.27 -0.31 0.00 0.00 -0.94 0.00 0.00 39.48 38.50 3hl4 n PHE 121 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 3hl4 n LYS 122 N -2.01 0.00 -2.45 -1.08 4.81 0.11 -4.94 118.16 112.61 3hl4 n LYS 122 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.38 3hl4 n LYS 122 Cb 0.43 -0.48 0.00 0.00 0.02 0.00 0.00 35.03 35.00 3hl4 n LYS 122 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3hl4 n GLY 123 N 3.13 -0.03 3.82 3.14 0.00 -0.21 -5.02 105.19 110.02 3hl4 n GLY 123 Ca 0.00 -1.33 -0.33 0.00 0.00 0.00 0.00 46.02 44.36 3hl4 n GLY 123 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3hl4 s PHE 124 N -3.10 3.30 -0.07 1.61 5.36 -1.26 -3.44 117.98 120.37 3hl4 s PHE 124 Ca 0.00 1.62 0.02 0.00 -0.96 0.00 0.00 56.93 57.61 3hl4 s PHE 124 Cb 0.00 -2.87 -0.02 0.00 -0.34 0.00 0.00 43.02 39.79 3hl4 s PHE 124 CO 0.00 -0.15 -0.13 0.95 -1.46 0.00 0.00 175.22 174.43 3hl4 s THR 125 N -2.14 3.13 -0.04 0.12 -4.23 -1.26 -5.01 115.64 106.21 3hl4 s THR 125 Ca 0.62 -0.68 -0.23 0.00 -1.18 0.00 0.00 61.69 60.22 3hl4 s THR 125 Cb -0.10 -2.26 -0.24 0.00 1.34 0.00 0.00 72.50 71.24 3hl4 s THR 125 CO 0.14 0.57 1.03 0.58 -0.54 0.00 0.00 174.62 176.40 3hl4 h VAL 126 N 4.63 1.53 -3.25 2.29 2.07 -1.97 -3.44 116.25 118.11 3hl4 h VAL 126 Ca -0.41 -2.01 -0.57 0.00 0.82 0.00 0.00 66.70 64.52 3hl4 h VAL 126 Cb 1.17 2.77 -0.05 0.00 -1.52 0.00 0.00 31.29 33.66 3hl4 h VAL 126 CO 0.52 0.56 -0.04 -0.04 0.02 0.00 0.00 177.57 178.59 3hl4 s MET 127 N -3.08 4.22 0.98 1.57 -1.94 -1.26 -5.07 119.30 114.72 3hl4 s MET 127 Ca -0.15 0.71 -0.16 0.00 -1.71 0.00 0.00 55.69 54.39 3hl4 s MET 127 Cb 0.01 -3.27 0.19 0.00 2.01 0.00 0.00 34.83 33.78 3hl4 s MET 127 CO 0.76 0.56 1.24 0.54 -0.01 0.00 0.00 175.02 178.11 3hl4 s ASN 128 N -0.82 2.94 0.22 3.03 2.20 -1.26 -4.76 114.94 116.50 3hl4 s ASN 128 Ca 0.29 0.48 -0.01 0.00 -0.94 0.00 0.00 52.86 52.68 3hl4 s ASN 128 Cb -0.19 -0.68 0.22 0.00 -2.00 0.00 0.00 41.25 38.60 3hl4 s ASN 128 CO 0.18 -2.86 1.58 1.05 -2.94 0.00 0.00 177.10 174.12 3hl4 h GLU 129 N -1.72 0.52 -0.61 3.55 4.11 -1.96 -1.48 114.58 117.00 3hl4 h GLU 129 Ca -0.45 -0.28 -0.06 0.00 0.07 0.00 0.00 59.36 58.64 3hl4 h GLU 129 Cb 1.27 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.50 3hl4 h GLU 129 CO 0.44 0.86 0.15 -0.91 0.07 0.00 0.00 179.01 179.62 3hl4 h ASN 130 N 0.43 0.89 -0.18 3.06 2.35 -1.97 0.43 115.58 120.57 3hl4 h ASN 130 Ca 0.03 -0.17 -0.13 0.00 -0.55 0.00 0.00 56.30 55.48 3hl4 h ASN 130 Cb 0.94 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 39.06 3hl4 h ASN 130 CO 0.08 0.86 -0.35 -0.33 -1.65 0.00 0.00 177.43 176.04 3hl4 h GLU 131 N 0.91 0.70 -0.24 0.81 5.08 -1.80 -1.76 114.58 118.28 3hl4 h GLU 131 Ca 0.19 -0.34 -0.11 0.00 -1.00 0.00 0.00 59.36 58.11 3hl4 h GLU 131 Cb 0.32 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.57 3hl4 h GLU 131 CO -0.00 0.95 -0.28 0.00 -1.00 0.00 0.00 179.01 178.68 3hl4 h ARG 132 N 0.59 0.60 -0.51 2.33 3.08 -1.06 -1.89 114.38 117.53 3hl4 h ARG 132 Ca 0.06 -0.34 0.07 0.00 0.07 0.00 0.00 59.98 59.85 3hl4 h ARG 132 Cb 0.88 0.02 -0.06 0.00 0.08 0.00 0.00 29.97 30.89 3hl4 h ARG 132 CO 0.08 0.94 0.17 1.88 -1.07 0.00 0.00 179.97 181.97 3hl4 h TYR 133 N 0.31 0.30 -0.67 3.04 0.05 -0.88 -2.90 116.97 116.22 3hl4 h TYR 133 Ca 0.03 0.03 -0.08 0.00 0.05 0.00 0.00 58.73 58.76 3hl4 h TYR 133 Cb 0.85 -0.06 -0.03 0.00 1.01 0.00 0.00 36.73 38.50 3hl4 h TYR 133 CO 0.08 0.09 0.12 0.22 -1.05 0.00 0.00 178.16 177.61 3hl4 h ASP 134 N 0.34 1.04 -0.35 3.88 3.58 -1.08 -2.83 116.42 121.02 3hl4 h ASP 134 Ca 0.25 -0.24 -0.04 0.00 0.42 0.00 0.00 57.03 57.42 3hl4 h ASP 134 Cb 0.28 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 41.04 3hl4 h ASP 134 CO -0.26 1.03 0.07 0.00 -2.88 0.00 0.00 179.24 177.20 3hl4 h ALA 135 N 1.09 0.46 -0.47 -0.78 0.00 -1.19 -2.75 119.26 115.62 3hl4 h ALA 135 Ca 0.20 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3hl4 h ALA 135 Cb 0.42 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 3hl4 h ALA 135 CO 0.01 0.14 0.26 0.28 0.00 0.00 0.00 179.25 179.94 3hl4 h VAL 136 N 0.41 1.14 -0.21 0.00 2.07 -1.45 -2.20 116.25 116.01 3hl4 h VAL 136 Ca 0.11 -0.35 0.06 0.00 0.82 0.00 0.00 66.70 67.34 3hl4 h VAL 136 Cb 0.32 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 3hl4 h VAL 136 CO 0.00 0.16 0.18 1.56 0.02 0.00 0.00 177.57 179.49 3hl4 h GLN 137 N 0.65 0.00 -0.02 1.57 4.20 -1.23 -2.33 115.11 117.95 3hl4 h GLN 137 Ca 0.17 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.88 3hl4 h GLN 137 Cb 0.01 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.79 3hl4 h GLN 137 CO -0.03 0.00 -0.05 0.72 -0.67 0.00 0.00 178.83 178.80 3hl4 n HIS 138 N -4.14 0.00 -2.25 2.96 8.25 -0.83 -0.87 115.22 118.34 3hl4 n HIS 138 Ca 0.02 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.08 3hl4 n HIS 138 Cb 0.32 -0.01 -0.03 0.00 1.12 0.00 0.00 29.99 31.39 3hl4 n HIS 138 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3hl4 h ARG 140 N 3.69 1.07 -0.01 0.00 2.43 -1.91 -3.16 114.38 116.49 3hl4 h ARG 140 Ca -0.48 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 58.63 3hl4 h ARG 140 Cb 1.22 -0.24 0.00 0.00 -0.42 0.00 0.00 29.97 30.53 3hl4 h ARG 140 CO 0.67 0.70 -0.21 0.66 -1.51 0.00 0.00 179.97 180.28 3hl4 n TYR 141 N -4.43 0.00 -3.41 2.20 4.01 -1.26 -4.93 117.16 109.33 3hl4 n TYR 141 Ca 0.11 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.47 3hl4 n TYR 141 Cb 0.09 -0.14 -0.06 0.00 -0.31 0.00 0.00 39.34 38.92 3hl4 n TYR 141 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 3hl4 s VAL 142 N -2.49 5.08 -0.15 -0.72 1.01 -1.20 -4.64 120.40 117.30 3hl4 s VAL 142 Ca 0.26 0.90 0.17 0.00 0.00 0.00 0.00 61.98 63.31 3hl4 s VAL 142 Cb 0.19 -3.76 -0.25 0.00 0.00 0.00 0.00 36.38 32.56 3hl4 s VAL 142 CO 0.51 0.46 0.15 0.47 0.00 0.00 0.00 175.10 176.69 3hl4 n ASP 143 N 2.67 0.42 -3.50 3.32 8.00 -0.15 -4.70 116.55 122.61 3hl4 n ASP 143 Ca -0.11 0.00 -0.15 0.00 0.71 0.00 0.00 54.79 55.24 3hl4 n ASP 143 Cb 0.52 1.18 -0.04 0.00 -0.02 0.00 0.00 41.12 42.75 3hl4 n ASP 143 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 3hl4 s GLU 144 N -2.67 1.14 -0.06 -1.24 2.12 -0.82 -4.13 118.70 113.04 3hl4 s GLU 144 Ca -0.09 -0.13 0.00 0.00 0.36 0.00 0.00 54.97 55.12 3hl4 s GLU 144 Cb 0.07 0.53 0.02 0.00 0.26 0.00 0.00 34.13 35.01 3hl4 s GLU 144 CO 0.78 -0.43 -0.04 0.08 -0.54 0.00 0.00 175.26 175.11 3hl4 s VAL 145 N -2.43 0.57 -0.22 3.70 1.01 -0.78 -0.26 120.40 122.00 3hl4 s VAL 145 Ca -0.05 -0.10 -0.09 0.00 0.00 0.00 0.00 61.98 61.74 3hl4 s VAL 145 Cb -0.01 -0.62 -0.04 0.00 0.00 0.00 0.00 36.38 35.71 3hl4 s VAL 145 CO -0.01 0.25 0.11 -0.69 0.00 0.00 0.00 175.10 174.76 3hl4 s VAL 146 N 1.23 4.95 0.54 2.92 1.01 -0.27 0.03 120.40 130.81 3hl4 s VAL 146 Ca -0.06 0.04 -0.04 0.00 0.00 0.00 0.00 61.98 61.91 3hl4 s VAL 146 Cb -0.14 -3.29 0.00 0.00 0.00 0.00 0.00 36.38 32.96 3hl4 s VAL 146 CO -0.02 0.38 0.83 -0.13 0.00 0.00 0.00 175.10 176.16 3hl4 s ARG 147 N 0.97 3.02 -1.60 2.72 0.52 -1.26 -1.68 118.95 121.64 3hl4 s ARG 147 Ca 0.06 -0.11 -0.12 0.00 -0.52 0.00 0.00 55.73 55.04 3hl4 s ARG 147 Cb -0.14 -2.36 0.10 0.00 0.52 0.00 0.00 34.95 33.08 3hl4 s ARG 147 CO 0.03 -0.54 0.62 -1.71 0.02 0.00 0.00 175.30 173.72 3hl4 n ASN 148 N -2.42 -2.08 -4.67 0.23 5.15 -1.03 -4.82 115.26 105.62 3hl4 n ASN 148 Ca 0.03 -1.03 -0.40 0.00 -0.60 0.00 0.00 54.58 52.59 3hl4 n ASN 148 Cb 0.57 -2.76 0.03 0.00 -0.53 0.00 0.00 39.78 37.09 3hl4 n ASN 148 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3hl4 n ALA 149 N -4.40 0.81 -1.61 5.20 0.00 -0.40 -4.77 120.51 115.34 3hl4 n ALA 149 Ca -0.07 0.16 -0.30 0.00 0.00 0.00 0.00 53.44 53.22 3hl4 n ALA 149 Cb 0.57 -2.20 0.06 0.00 0.00 0.00 0.00 19.45 17.88 3hl4 n ALA 149 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3hl4 s PRO 150 N -2.44 2.63 -0.07 0.00 0.04 -1.26 -4.49 135.00 129.41 3hl4 s PRO 150 Ca 0.67 0.77 -0.25 0.00 0.04 0.00 0.00 61.00 62.23 3hl4 s PRO 150 Cb -0.48 -1.97 -0.25 0.00 0.04 0.00 0.00 34.50 31.85 3hl4 s PRO 150 CO 0.53 -1.27 0.96 2.35 0.04 0.00 0.00 177.00 179.62 3hl4 h TRP 151 N -0.84 0.20 -3.66 0.56 2.91 -1.99 -3.44 115.95 109.69 3hl4 h TRP 151 Ca -0.45 -0.12 -0.67 0.00 1.13 0.00 0.00 58.89 58.78 3hl4 h TRP 151 Cb 1.24 -0.02 -0.24 0.00 -0.51 0.00 0.00 29.16 29.63 3hl4 h TRP 151 CO 0.55 0.96 -0.75 0.99 -1.03 0.00 0.00 178.44 179.16 3hl4 s THR 152 N -2.89 3.23 0.31 2.65 2.01 -1.26 -5.00 115.64 114.70 3hl4 s THR 152 Ca -0.16 -0.63 -0.28 0.00 0.31 0.00 0.00 61.69 60.92 3hl4 s THR 152 Cb -0.00 -2.32 -0.09 0.00 0.01 0.00 0.00 72.50 70.10 3hl4 s THR 152 CO 0.73 0.56 1.08 -0.76 -0.69 0.00 0.00 174.62 175.54 3hl4 s LEU 153 N -0.27 4.44 0.30 4.42 1.43 -1.26 -5.04 118.68 122.70 3hl4 s LEU 153 Ca 0.02 2.20 0.10 0.00 -1.03 0.00 0.00 54.13 55.42 3hl4 s LEU 153 Cb -0.13 -3.78 -0.05 0.00 0.03 0.00 0.00 46.19 42.26 3hl4 s LEU 153 CO 0.03 -0.24 -0.03 0.42 0.23 0.00 0.00 176.35 176.76 3hl4 s THR 154 N -1.30 2.91 0.35 5.49 -4.23 -1.26 -5.02 115.64 112.59 3hl4 s THR 154 Ca 0.48 -2.03 0.04 0.00 -1.18 0.00 0.00 61.69 59.01 3hl4 s THR 154 Cb -0.29 -2.72 0.21 0.00 1.34 0.00 0.00 72.50 71.04 3hl4 s THR 154 CO 0.37 -0.30 1.95 -0.65 -0.54 0.00 0.00 174.62 175.45 3hl4 h PRO 155 N 1.91 0.64 -0.54 3.99 0.11 -2.00 -2.20 132.00 133.91 3hl4 h PRO 155 Ca -0.43 -0.08 -0.11 0.00 0.11 0.00 0.00 66.00 65.49 3hl4 h PRO 155 Cb 1.25 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 3hl4 h PRO 155 CO 0.63 0.52 -0.11 1.49 -0.21 0.00 0.00 178.00 180.32 3hl4 h GLU 156 N 0.64 1.02 -0.62 1.05 4.81 -1.98 -1.66 114.58 117.83 3hl4 h GLU 156 Ca 0.16 -0.38 -0.04 0.00 -0.13 0.00 0.00 59.36 58.97 3hl4 h GLU 156 Cb 0.11 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.40 3hl4 h GLU 156 CO -0.02 1.07 0.24 0.35 -0.73 0.00 0.00 179.01 179.92 3hl4 h PHE 157 N 0.90 0.95 -0.45 0.92 3.57 -1.86 0.11 116.94 121.08 3hl4 h PHE 157 Ca 0.14 -0.08 -0.13 0.00 3.53 0.00 0.00 57.97 61.43 3hl4 h PHE 157 Cb 0.68 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 39.12 3hl4 h PHE 157 CO 0.05 0.76 -0.23 -0.07 -2.23 0.00 0.00 178.31 176.59 3hl4 h LEU 158 N 0.87 0.98 -0.10 0.59 3.38 -1.33 -1.97 115.31 117.72 3hl4 h LEU 158 Ca 0.21 -0.41 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 3hl4 h LEU 158 Cb 0.22 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 3hl4 h LEU 158 CO -0.01 1.17 0.00 0.00 0.09 0.00 0.00 178.44 179.69 3hl4 h ALA 159 N 0.84 0.13 -0.78 1.53 0.00 -1.24 0.63 119.26 120.38 3hl4 h ALA 159 Ca 0.10 -0.17 0.07 0.00 0.00 0.00 0.00 54.91 54.90 3hl4 h ALA 159 Cb 0.80 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.50 3hl4 h ALA 159 CO 0.07 -0.19 0.46 1.49 0.00 0.00 0.00 179.25 181.08 3hl4 h GLU 160 N -0.09 0.81 -0.38 0.00 4.81 -0.56 -1.11 114.58 118.05 3hl4 h GLU 160 Ca 0.03 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 3hl4 h GLU 160 Cb 0.33 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.53 3hl4 h GLU 160 CO 0.00 0.54 0.00 0.72 -0.73 0.00 0.00 179.01 179.54 3hl4 n HIS 161 N -4.70 0.50 -3.85 0.92 8.25 -0.76 -4.95 115.22 110.62 3hl4 n HIS 161 Ca 0.11 -0.25 -0.27 0.00 -0.26 0.00 0.00 57.72 57.05 3hl4 n HIS 161 Cb 0.19 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.32 3hl4 n HIS 161 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3hl4 n ARG 162 N 0.84 -5.16 -2.53 -0.41 5.12 -0.42 -4.89 116.66 109.21 3hl4 n ARG 162 Ca 0.17 0.59 -0.42 0.00 -1.93 0.00 0.00 57.85 56.25 3hl4 n ARG 162 Cb 0.41 -5.33 -0.03 0.00 -1.16 0.00 0.00 32.46 26.36 3hl4 n ARG 162 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 3hl4 s ILE 163 N -3.46 4.39 -0.07 0.55 1.01 0.12 -4.76 121.20 118.98 3hl4 s ILE 163 Ca 0.41 1.71 -0.23 0.00 0.00 0.00 0.00 60.65 62.54 3hl4 s ILE 163 Cb -0.21 -4.10 -0.30 0.00 0.01 0.00 0.00 42.46 37.87 3hl4 s ILE 163 CO 0.83 0.04 0.83 0.44 0.00 0.00 0.00 174.94 177.07 3hl4 h ASP 164 N 7.20 0.35 -5.10 3.58 3.32 -1.24 -3.47 116.42 121.07 3hl4 h ASP 164 Ca -0.35 -0.95 -0.13 0.00 0.02 0.00 0.00 57.03 55.62 3hl4 h ASP 164 Cb 1.17 -0.12 -0.18 0.00 0.22 0.00 0.00 39.33 40.43 3hl4 h ASP 164 CO 0.85 1.33 -0.58 -0.36 -1.72 0.00 0.00 179.24 178.77 3hl4 s PHE 165 N -2.39 0.27 -0.17 4.55 0.08 -1.06 -4.85 117.98 114.42 3hl4 s PHE 165 Ca -0.16 -0.61 -0.01 0.00 0.12 0.00 0.00 56.93 56.27 3hl4 s PHE 165 Cb 0.00 -0.19 -0.00 0.00 -0.57 0.00 0.00 43.02 42.26 3hl4 s PHE 165 CO 0.79 -0.34 -0.12 0.08 -0.10 0.00 0.00 175.22 175.52 3hl4 s VAL 166 N -2.70 2.88 -0.14 -0.44 1.01 0.74 -0.40 120.40 121.36 3hl4 s VAL 166 Ca -0.04 -0.69 -0.02 0.00 0.00 0.00 0.00 61.98 61.23 3hl4 s VAL 166 Cb -0.01 -2.24 -0.02 0.00 0.00 0.00 0.00 36.38 34.11 3hl4 s VAL 166 CO -0.05 0.50 -0.07 0.00 0.00 0.00 0.00 175.10 175.48 3hl4 s ALA 167 N 0.88 2.89 0.08 5.51 0.00 0.23 -0.40 121.76 130.95 3hl4 s ALA 167 Ca -0.03 -0.84 -0.27 0.00 0.00 0.00 0.00 51.96 50.82 3hl4 s ALA 167 Cb -0.15 -1.42 0.08 0.00 0.00 0.00 0.00 23.12 21.63 3hl4 s ALA 167 CO -0.00 0.26 0.95 -1.58 0.00 0.00 0.00 175.76 175.38 3hl4 s HIS 168 N 0.25 -0.21 0.85 0.00 5.04 -1.23 -4.09 115.29 115.90 3hl4 s HIS 168 Ca -0.05 -0.02 -0.11 0.00 -1.54 0.00 0.00 55.06 53.35 3hl4 s HIS 168 Cb -0.14 0.60 0.11 0.00 0.04 0.00 0.00 32.58 33.18 3hl4 s HIS 168 CO 0.04 -0.69 1.15 0.16 -2.34 0.00 0.00 174.74 173.05 3hl4 s ASP 169 N -2.76 3.45 0.00 9.88 1.47 -1.25 -0.85 116.67 126.61 3hl4 s ASP 169 Ca 0.09 2.15 0.19 0.00 1.18 0.00 0.00 52.55 56.16 3hl4 s ASP 169 Cb -0.01 -2.56 0.82 0.00 -0.34 0.00 0.00 42.92 40.83 3hl4 s ASP 169 CO -0.02 -2.75 1.57 -0.67 0.68 0.00 0.00 175.17 173.97 3hl4 n ASP 170 N -3.83 1.00 -4.70 2.11 2.03 -1.25 -4.79 116.55 107.12 3hl4 n ASP 170 Ca 0.12 -1.63 -0.42 0.00 0.52 0.00 0.00 54.79 53.37 3hl4 n ASP 170 Cb 0.52 -0.07 -0.03 0.00 -0.72 0.00 0.00 41.12 40.82 3hl4 n ASP 170 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 3hl4 s ILE 171 N -1.86 4.52 -0.04 5.18 1.01 -1.26 -4.94 121.20 123.81 3hl4 s ILE 171 Ca 0.29 1.81 -0.37 0.00 0.00 0.00 0.00 60.65 62.37 3hl4 s ILE 171 Cb 0.15 -4.16 -0.15 0.00 0.01 0.00 0.00 42.46 38.30 3hl4 s ILE 171 CO 0.23 0.07 1.57 -2.65 0.00 0.00 0.00 174.94 174.15 3hl4 n PRO 172 N 4.54 1.42 -3.19 2.79 -0.02 -1.26 -4.90 135.00 134.38 3hl4 n PRO 172 Ca 0.09 0.52 -0.45 0.00 -2.02 0.00 0.00 63.50 61.63 3hl4 n PRO 172 Cb 0.48 -2.21 -0.04 0.00 -0.02 0.00 0.00 33.50 31.70 3hl4 n PRO 172 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 3hl4 s TYR 173 N 1.95 3.15 -0.41 6.00 5.04 -1.26 -4.91 117.35 126.91 3hl4 s TYR 173 Ca 0.89 -1.18 -0.17 0.00 -2.44 0.00 0.00 57.07 54.17 3hl4 s TYR 173 Cb -0.92 -3.94 0.02 0.00 0.35 0.00 0.00 41.96 37.47 3hl4 s TYR 173 CO 0.52 -1.18 0.44 -1.54 -1.34 0.00 0.00 175.55 172.45 3hl4 s SER 174 N 3.49 6.21 -0.06 4.32 1.04 -1.19 -0.90 113.70 126.61 3hl4 s SER 174 Ca 0.10 -0.56 0.03 0.00 0.48 0.00 0.00 55.95 56.00 3hl4 s SER 174 Cb -0.24 -2.23 0.01 0.00 0.10 0.00 0.00 66.02 63.66 3hl4 s SER 174 CO 0.03 -0.55 -0.16 -0.44 0.98 0.00 0.00 173.24 173.10 3hl4 s SER 175 N 1.81 2.11 0.10 7.02 0.01 -1.25 -5.01 113.70 118.49 3hl4 s SER 175 Ca 0.13 -0.36 0.05 0.00 1.31 0.00 0.00 55.95 57.08 3hl4 s SER 175 Cb -0.17 -0.86 -0.03 0.00 0.21 0.00 0.00 66.02 65.17 3hl4 s SER 175 CO 0.14 0.09 -0.13 0.00 0.41 0.00 0.00 173.24 173.75 3hl4 s ALA 176 N 0.42 1.24 0.00 1.44 0.00 -1.26 -3.32 121.76 120.28 3hl4 s ALA 176 Ca -0.12 -1.15 0.00 0.00 0.00 0.00 0.00 51.96 50.69 3hl4 s ALA 176 Cb -0.15 -0.05 0.00 0.00 0.00 0.00 0.00 23.12 22.93 3hl4 s ALA 176 CO 0.04 0.07 0.00 0.41 0.00 0.00 0.00 175.76 176.29 3hl4 n GLY 177 N 0.80 1.33 3.00 0.00 0.00 -1.26 -5.07 105.19 104.00 3hl4 n GLY 177 Ca -0.18 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.68 3hl4 n GLY 177 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3hl4 s SER 178 N -3.17 0.83 0.20 1.61 0.15 -1.21 -5.03 113.70 107.07 3hl4 s SER 178 Ca 0.00 -0.22 -0.07 0.00 0.70 0.00 0.00 55.95 56.37 3hl4 s SER 178 Cb 0.00 -0.06 0.14 0.00 -1.71 0.00 0.00 66.02 64.39 3hl4 s SER 178 CO 0.00 0.02 1.64 0.44 1.20 0.00 0.00 173.24 176.55 3hl4 h ASP 179 N 5.65 0.92 -2.68 5.45 3.32 -1.88 -3.31 116.42 123.89 3hl4 h ASP 179 Ca -0.31 -0.29 -0.33 0.00 0.02 0.00 0.00 57.03 56.12 3hl4 h ASP 179 Cb 1.19 -0.25 -0.36 0.00 0.22 0.00 0.00 39.33 40.13 3hl4 h ASP 179 CO 0.48 1.04 -0.64 -0.62 -1.72 0.00 0.00 179.24 177.78 3hl4 s ASP 180 N -6.67 1.39 0.29 6.45 2.15 -1.25 -3.13 116.67 115.89 3hl4 s ASP 180 Ca -0.11 -0.17 0.23 0.00 0.43 0.00 0.00 52.55 52.93 3hl4 s ASP 180 Cb 0.13 0.29 1.07 0.00 -0.30 0.00 0.00 42.92 44.12 3hl4 s ASP 180 CO 0.85 -0.32 1.70 1.33 -0.17 0.00 0.00 175.17 178.56 3hl4 n VAL 181 N 5.32 0.90 1.50 1.11 0.24 -0.07 -1.01 118.33 126.31 3hl4 n VAL 181 Ca -0.06 0.43 0.14 0.00 -2.04 0.00 0.00 64.34 62.81 3hl4 n VAL 181 Cb 0.49 -1.39 0.53 0.00 -1.47 0.00 0.00 33.84 32.01 3hl4 n VAL 181 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 3hl4 n TYR 182 N -2.27 0.00 -0.22 6.34 4.01 -1.26 -4.61 117.16 119.15 3hl4 n TYR 182 Ca 0.01 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.74 3hl4 n TYR 182 Cb 0.16 -0.01 0.06 0.00 -0.31 0.00 0.00 39.34 39.23 3hl4 n TYR 182 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 3hl4 h LYS 183 N 2.11 -0.02 -0.23 -0.72 1.63 -1.47 0.35 116.57 118.23 3hl4 h LYS 183 Ca 0.00 0.00 -0.15 0.00 -0.85 0.00 0.00 60.65 59.65 3hl4 h LYS 183 Cb 0.47 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.10 3hl4 h LYS 183 CO 0.00 -0.01 -0.49 1.25 -3.45 0.00 0.00 179.45 176.75 3hl4 h HIS 184 N -0.02 0.76 -0.39 1.91 2.76 -1.83 -1.78 115.15 116.56 3hl4 h HIS 184 Ca 0.31 -0.25 -0.02 0.00 -2.20 0.00 0.00 60.37 58.21 3hl4 h HIS 184 Cb 0.48 -0.15 -0.02 0.00 1.55 0.00 0.00 27.41 29.28 3hl4 h HIS 184 CO -0.54 0.99 0.17 0.82 -1.30 0.00 0.00 177.93 178.07 3hl4 h ILE 185 N 0.49 1.19 0.36 6.26 1.08 -1.67 -0.82 117.51 124.39 3hl4 h ILE 185 Ca 0.02 -0.55 -0.01 0.00 -0.39 0.00 0.00 64.86 63.93 3hl4 h ILE 185 Cb 1.03 0.82 -0.02 0.00 -3.07 0.00 0.00 36.82 35.59 3hl4 h ILE 185 CO 0.10 0.20 -0.31 0.11 -0.69 0.00 0.00 178.15 177.56 3hl4 h LYS 186 N 0.49 -0.65 -1.02 2.37 1.57 -0.54 -2.26 116.57 116.53 3hl4 h LYS 186 Ca 0.13 0.04 0.25 0.00 -1.87 0.00 0.00 60.65 59.21 3hl4 h LYS 186 Cb 0.16 0.15 -0.09 0.00 0.08 0.00 0.00 32.23 32.53 3hl4 h LYS 186 CO -0.01 -0.44 0.66 0.93 -0.57 0.00 0.00 179.45 180.02 3hl4 h GLU 187 N -0.68 0.40 -0.00 3.15 5.08 -1.32 -1.04 114.58 120.17 3hl4 h GLU 187 Ca -0.03 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3hl4 h GLU 187 Cb 0.60 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.76 3hl4 h GLU 187 CO -0.03 0.26 -0.00 0.00 -1.00 0.00 0.00 179.01 178.25 3hl4 n ALA 188 N -2.48 2.65 -1.39 3.43 0.00 -0.32 -4.89 120.51 117.51 3hl4 n ALA 188 Ca 0.24 -0.20 -0.05 0.00 0.00 0.00 0.00 53.44 53.43 3hl4 n ALA 188 Cb 0.83 -1.50 -0.02 0.00 0.00 0.00 0.00 19.45 18.76 3hl4 n ALA 188 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hl4 n GLY 189 N 1.06 0.63 0.61 0.00 0.00 -0.39 -4.94 105.19 102.16 3hl4 n GLY 189 Ca 0.22 -0.78 0.06 0.00 0.00 0.00 0.00 46.02 45.52 3hl4 n GLY 189 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3hl4 n MET 190 N -2.51 2.27 -3.50 1.61 2.81 -0.87 -4.94 117.12 111.99 3hl4 n MET 190 Ca -0.06 -1.84 -0.37 0.00 -1.81 0.00 0.00 57.70 53.62 3hl4 n MET 190 Cb 0.27 -1.26 -0.08 0.00 -0.71 0.00 0.00 33.22 31.43 3hl4 n MET 190 CO 0.00 0.00 0.00 0.12 1.51 0.00 0.00 175.97 177.60 3hl4 s PHE 191 N -0.99 3.35 -0.32 2.03 5.36 -1.24 -0.18 117.98 125.98 3hl4 s PHE 191 Ca 0.21 0.45 0.02 0.00 -0.96 0.00 0.00 56.93 56.65 3hl4 s PHE 191 Cb 0.12 -2.42 0.09 0.00 -0.34 0.00 0.00 43.02 40.47 3hl4 s PHE 191 CO 0.16 0.02 0.02 0.00 -1.46 0.00 0.00 175.22 173.96 3hl4 s ALA 192 N 1.22 2.83 0.19 11.12 0.00 0.46 -4.92 121.76 132.66 3hl4 s ALA 192 Ca 0.14 -2.26 -0.30 0.00 0.00 0.00 0.00 51.96 49.54 3hl4 s ALA 192 Cb -0.14 -1.91 -0.09 0.00 0.00 0.00 0.00 23.12 20.98 3hl4 s ALA 192 CO 0.06 -1.53 1.38 -1.25 0.00 0.00 0.00 175.76 174.42 3hl4 s PRO 193 N 1.01 4.33 0.39 0.00 0.05 -1.26 -3.52 135.00 136.00 3hl4 s PRO 193 Ca 0.04 2.14 0.08 0.00 0.05 0.00 0.00 61.00 63.30 3hl4 s PRO 193 Cb -0.20 -3.18 -0.02 0.00 0.05 0.00 0.00 34.50 31.15 3hl4 s PRO 193 CO -0.06 -0.36 0.36 0.95 0.05 0.00 0.00 177.00 177.94 3hl4 s THR 194 N 0.40 3.02 -0.10 1.26 -4.23 -0.03 -4.88 115.64 111.08 3hl4 s THR 194 Ca 0.60 -1.32 -0.03 0.00 -1.18 0.00 0.00 61.69 59.76 3hl4 s THR 194 Cb -0.38 -3.07 -0.03 0.00 1.34 0.00 0.00 72.50 70.35 3hl4 s THR 194 CO 0.37 -0.07 0.00 -1.10 -0.54 0.00 0.00 174.62 173.29 3hl4 s GLN 195 N -4.10 3.17 0.52 3.99 -1.52 -1.26 -3.95 119.66 116.51 3hl4 s GLN 195 Ca 0.46 -0.41 -0.20 0.00 -1.95 0.00 0.00 55.36 53.27 3hl4 s GLN 195 Cb -0.05 -2.85 -0.07 0.00 -0.22 0.00 0.00 33.01 29.82 3hl4 s GLN 195 CO 0.28 0.61 1.09 1.03 -0.25 0.00 0.00 175.29 178.04 3hl4 s ARG 196 N -0.62 3.53 -0.30 2.91 0.52 -1.26 -4.73 118.95 119.01 3hl4 s ARG 196 Ca 0.10 1.48 -0.21 0.00 -0.52 0.00 0.00 55.73 56.59 3hl4 s ARG 196 Cb -0.12 -2.04 -0.01 0.00 0.52 0.00 0.00 34.95 33.30 3hl4 s ARG 196 CO 0.02 -0.68 0.65 0.99 0.02 0.00 0.00 175.30 176.30 3hl4 s THR 197 N -1.91 4.93 0.48 0.02 2.01 -1.26 -5.04 115.64 114.87 3hl4 s THR 197 Ca 0.70 0.94 -0.22 0.00 0.31 0.00 0.00 61.69 63.42 3hl4 s THR 197 Cb -0.20 -4.01 -0.07 0.00 0.01 0.00 0.00 72.50 68.23 3hl4 s THR 197 CO 0.25 -0.13 1.17 -1.61 -0.69 0.00 0.00 174.62 173.61 3hl4 s GLU 198 N 2.63 3.67 0.00 4.92 2.02 -1.26 -3.83 118.70 126.85 3hl4 s GLU 198 Ca 0.26 1.77 0.00 0.00 0.02 0.00 0.00 54.97 57.02 3hl4 s GLU 198 Cb -0.15 -2.34 0.00 0.00 0.10 0.00 0.00 34.13 31.74 3hl4 s GLU 198 CO 0.11 -0.63 0.00 0.41 0.02 0.00 0.00 175.26 175.18 3hl4 n GLY 199 N 0.42 0.67 3.07 -1.39 0.00 -1.26 -5.01 105.19 101.68 3hl4 n GLY 199 Ca 0.08 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.97 3hl4 n GLY 199 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3hl4 s ILE 200 N -2.38 -0.00 0.13 -0.61 2.07 -1.25 -5.09 121.20 114.07 3hl4 s ILE 200 Ca 0.00 0.02 -0.24 0.00 -1.41 0.00 0.00 60.65 59.01 3hl4 s ILE 200 Cb 0.00 -0.28 0.07 0.00 0.13 0.00 0.00 42.46 42.38 3hl4 s ILE 200 CO 0.00 0.01 0.72 -0.94 -1.91 0.00 0.00 174.94 172.82 3hl4 s SER 201 N 0.23 -0.44 0.20 4.50 1.04 -1.26 -4.88 113.70 113.09 3hl4 s SER 201 Ca -0.01 -0.11 -0.12 0.00 0.48 0.00 0.00 55.95 56.19 3hl4 s SER 201 Cb -0.02 0.55 0.25 0.00 0.10 0.00 0.00 66.02 66.90 3hl4 s SER 201 CO -0.01 -0.92 1.67 0.74 0.98 0.00 0.00 173.24 175.70 3hl4 h THR 202 N 2.00 0.54 0.11 2.02 2.02 -1.89 -1.30 112.91 116.41 3hl4 h THR 202 Ca -0.28 -0.04 0.00 0.00 0.77 0.00 0.00 66.41 66.86 3hl4 h THR 202 Cb 1.28 0.41 -0.01 0.00 -1.74 0.00 0.00 68.15 68.08 3hl4 h THR 202 CO 0.33 0.02 -0.11 0.28 0.37 0.00 0.00 175.52 176.41 3hl4 h SER 203 N 0.12 -0.30 -0.83 4.18 0.02 -1.95 -1.51 113.55 113.27 3hl4 h SER 203 Ca 0.29 0.03 0.14 0.00 -0.84 0.00 0.00 61.79 61.41 3hl4 h SER 203 Cb 0.46 0.11 -0.06 0.00 0.14 0.00 0.00 62.40 63.05 3hl4 h SER 203 CO -0.48 -0.18 0.54 -0.78 -1.14 0.00 0.00 176.83 174.79 3hl4 h ASP 204 N -0.25 0.57 -0.07 3.07 3.58 -1.88 -0.73 116.42 120.70 3hl4 h ASP 204 Ca 0.01 0.03 -0.10 0.00 0.42 0.00 0.00 57.03 57.38 3hl4 h ASP 204 Cb 0.24 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.22 3hl4 h ASP 204 CO -0.04 0.30 -0.36 0.40 -2.88 0.00 0.00 179.24 176.66 3hl4 h ILE 205 N 0.60 1.42 -0.50 2.25 2.04 -0.56 -1.60 117.51 121.16 3hl4 h ILE 205 Ca 0.41 -1.77 0.06 0.00 1.00 0.00 0.00 64.86 64.57 3hl4 h ILE 205 Cb 0.73 2.33 -0.05 0.00 -0.74 0.00 0.00 36.82 39.08 3hl4 h ILE 205 CO -0.17 0.51 0.19 0.40 0.00 0.00 0.00 178.15 179.09 3hl4 h ILE 206 N -0.12 0.86 -0.58 -0.67 2.04 -1.10 -1.43 117.51 116.51 3hl4 h ILE 206 Ca -0.03 -0.13 0.06 0.00 1.00 0.00 0.00 64.86 65.76 3hl4 h ILE 206 Cb 1.02 0.44 -0.05 0.00 -0.74 0.00 0.00 36.82 37.49 3hl4 h ILE 206 CO 0.07 0.07 0.29 0.74 0.00 0.00 0.00 178.15 179.32 3hl4 h THR 207 N 0.38 0.92 -0.53 -0.27 2.02 -1.08 0.26 112.91 114.62 3hl4 h THR 207 Ca 0.24 -0.18 -0.10 0.00 0.77 0.00 0.00 66.41 67.13 3hl4 h THR 207 Cb 0.23 0.34 -0.02 0.00 -1.74 0.00 0.00 68.15 66.96 3hl4 h THR 207 CO -0.23 0.10 -0.05 0.03 0.37 0.00 0.00 175.52 175.74 3hl4 h ARG 208 N 0.54 0.94 -0.57 6.66 3.08 -0.62 -2.62 114.38 121.78 3hl4 h ARG 208 Ca 0.26 -0.31 -0.07 0.00 0.07 0.00 0.00 59.98 59.94 3hl4 h ARG 208 Cb 0.20 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 3hl4 h ARG 208 CO -0.19 0.96 0.09 0.82 -1.07 0.00 0.00 179.97 180.58 3hl4 h ILE 209 N 0.85 1.26 -0.29 2.04 2.04 -0.71 -1.90 117.51 120.80 3hl4 h ILE 209 Ca 0.15 -0.99 -0.02 0.00 1.00 0.00 0.00 64.86 65.01 3hl4 h ILE 209 Cb 0.58 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 37.42 3hl4 h ILE 209 CO 0.03 0.36 0.12 0.58 0.00 0.00 0.00 178.15 179.25 3hl4 h VAL 210 N 0.85 1.17 -0.99 1.67 2.07 -0.88 -2.00 116.25 118.14 3hl4 h VAL 210 Ca 0.17 -0.52 0.10 0.00 0.82 0.00 0.00 66.70 67.27 3hl4 h VAL 210 Cb 0.42 0.98 -0.08 0.00 -1.52 0.00 0.00 31.29 31.09 3hl4 h VAL 210 CO 0.01 0.18 0.63 0.03 0.02 0.00 0.00 177.57 178.44 3hl4 h ARG 211 N 0.32 1.02 0.03 1.57 2.47 -1.40 -2.32 114.38 116.07 3hl4 h ARG 211 Ca 0.10 -0.06 -0.21 0.00 -1.26 0.00 0.00 59.98 58.54 3hl4 h ARG 211 Cb 0.17 -0.23 -0.01 0.00 -1.65 0.00 0.00 29.97 28.24 3hl4 h ARG 211 CO -0.01 0.68 -0.97 -0.44 0.56 0.00 0.00 179.97 179.79 3hl4 h ASP 212 N 1.06 0.23 0.00 7.04 3.45 -0.94 -3.42 116.42 123.83 3hl4 h ASP 212 Ca 0.46 -0.20 0.00 0.00 0.43 0.00 0.00 57.03 57.72 3hl4 h ASP 212 Cb 0.35 -0.07 0.00 0.00 -0.56 0.00 0.00 39.33 39.05 3hl4 h ASP 212 CO -0.22 1.06 -0.29 -1.22 -1.57 0.00 0.00 179.24 177.01 3hl4 n TYR 213 N -3.57 0.00 -1.98 4.55 4.02 -0.79 -5.05 117.16 114.34 3hl4 n TYR 213 Ca -0.04 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.44 3hl4 n TYR 213 Cb 0.87 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 40.17 3hl4 n TYR 213 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 3hl4 s ASP 214 N -0.65 6.61 0.05 7.72 2.15 -0.88 -4.91 116.67 126.77 3hl4 s ASP 214 Ca 0.00 2.71 -0.26 0.00 0.43 0.00 0.00 52.55 55.42 3hl4 s ASP 214 Cb 0.00 -2.62 -0.17 0.00 -0.30 0.00 0.00 42.92 39.83 3hl4 s ASP 214 CO 0.00 -0.73 1.55 0.58 -0.17 0.00 0.00 175.17 176.39 3hl4 h VAL 215 N 3.53 0.81 0.00 1.11 2.07 -1.97 -3.48 116.25 118.32 3hl4 h VAL 215 Ca -0.46 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 66.80 3hl4 h VAL 215 Cb 1.22 0.96 0.00 0.00 -1.52 0.00 0.00 31.29 31.95 3hl4 h VAL 215 CO 0.78 0.06 0.00 -1.22 0.02 0.00 0.00 177.57 177.21