#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 2.35 0.00 0.99 1.43 -1.26 -5.05 118.68 117.14 3hl4 s LEU 41 Ca 0.00 -0.77 0.00 0.00 -1.03 0.00 0.00 54.13 52.33 3hl4 s LEU 41 Cb 0.00 -1.07 0.00 0.00 0.03 0.00 0.00 46.19 45.15 3hl4 s LEU 41 CO 0.00 0.11 0.00 0.54 0.23 0.00 0.00 176.35 177.23 3hl4 n ARG 42 N 0.75 1.88 -4.34 1.70 1.74 -1.26 -5.07 116.66 112.06 3hl4 n ARG 42 Ca -0.17 0.00 -0.24 0.00 -0.77 0.00 0.00 57.85 56.68 3hl4 n ARG 42 Cb 0.54 -0.86 -0.12 0.00 -1.02 0.00 0.00 32.46 31.00 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 -1.49 1.29 0.84 5.56 -1.52 -1.26 -5.12 119.66 117.95 3hl4 s GLN 43 Ca 0.00 -1.36 -0.12 0.00 -1.95 0.00 0.00 55.36 51.93 3hl4 s GLN 43 Cb 0.00 -1.47 0.10 0.00 -0.22 0.00 0.00 33.01 31.42 3hl4 s GLN 43 CO 0.00 0.32 1.16 -2.14 -0.25 0.00 0.00 175.29 174.38 3hl4 s PRO 44 N -2.49 1.53 0.14 2.91 0.02 -1.26 -4.93 135.00 130.93 3hl4 s PRO 44 Ca 0.14 1.58 -0.33 0.00 0.02 0.00 0.00 61.00 62.41 3hl4 s PRO 44 Cb -0.08 -1.78 -0.13 0.00 0.02 0.00 0.00 34.50 32.54 3hl4 s PRO 44 CO 0.06 -2.25 1.68 0.00 -0.33 0.00 0.00 177.00 176.16 3hl4 n ALA 45 N -3.65 1.82 -1.29 -1.55 0.00 -0.23 -4.98 120.51 110.64 3hl4 n ALA 45 Ca 0.12 0.40 -0.33 0.00 0.00 0.00 0.00 53.44 53.63 3hl4 n ALA 45 Cb 0.52 -2.44 0.09 0.00 0.00 0.00 0.00 19.45 17.61 3hl4 n ALA 45 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3hl4 s PRO 46 N 1.53 2.17 0.55 0.00 0.04 -1.26 -4.70 135.00 133.33 3hl4 s PRO 46 Ca 0.80 1.55 -0.19 0.00 0.04 0.00 0.00 61.00 63.19 3hl4 s PRO 46 Cb -0.61 -1.86 -0.06 0.00 0.04 0.00 0.00 34.50 32.02 3hl4 s PRO 46 CO 0.38 -1.76 1.11 -0.06 0.04 0.00 0.00 177.00 176.71 3hl4 s PHE 47 N -2.30 2.72 0.54 0.56 0.08 -1.26 -1.64 117.98 116.67 3hl4 s PHE 47 Ca 0.69 1.55 0.27 0.00 0.12 0.00 0.00 56.93 59.56 3hl4 s PHE 47 Cb -0.24 -3.24 1.42 0.00 -0.57 0.00 0.00 43.02 40.39 3hl4 s PHE 47 CO 0.47 -1.47 1.97 1.03 -0.10 0.00 0.00 175.22 177.12 3hl4 h SER 48 N 1.14 0.00 -0.18 1.36 0.87 -0.81 -0.11 113.55 115.83 3hl4 h SER 48 Ca -0.50 0.00 0.05 0.00 -1.23 0.00 0.00 61.79 60.12 3hl4 h SER 48 Cb 1.25 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.21 3hl4 h SER 48 CO 0.57 0.00 0.15 0.44 -0.53 0.00 0.00 176.83 177.46 3hl4 h ASP 49 N 0.00 0.00 -0.23 6.23 3.45 -1.92 -2.95 116.42 121.01 3hl4 h ASP 49 Ca 0.28 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.74 3hl4 h ASP 49 Cb 1.16 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.93 3hl4 h ASP 49 CO -0.00 0.00 0.00 -0.62 -1.57 0.00 0.00 179.24 177.05 3hl4 n GLU 50 N -4.18 1.87 -4.40 3.56 1.02 -0.05 -4.85 120.64 113.61 3hl4 n GLU 50 Ca 0.01 -1.32 -0.33 0.00 -0.02 0.00 0.00 57.16 55.50 3hl4 n GLU 50 Cb 0.28 -1.40 -0.15 0.00 -0.02 0.00 0.00 31.44 30.14 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 -1.71 2.52 -0.18 -3.67 1.09 -1.12 -5.04 121.20 113.10 3hl4 s ILE 51 Ca 0.32 -0.81 -0.24 0.00 -1.10 0.00 0.00 60.65 58.83 3hl4 s ILE 51 Cb 0.18 -2.07 -0.02 0.00 -1.06 0.00 0.00 42.46 39.49 3hl4 s ILE 51 CO 0.26 0.52 0.78 -1.61 -0.10 0.00 0.00 174.94 174.78 3hl4 s GLU 52 N 0.98 4.28 -0.12 2.79 0.41 -1.26 -5.04 118.70 120.74 3hl4 s GLU 52 Ca -0.02 0.91 -0.10 0.00 -0.41 0.00 0.00 54.97 55.35 3hl4 s GLU 52 Cb -0.15 -3.57 -0.05 0.00 -1.78 0.00 0.00 34.13 28.58 3hl4 s GLU 52 CO -0.03 -0.30 0.21 0.08 -0.49 0.00 0.00 175.26 174.73 3hl4 s VAL 53 N 2.07 5.38 -0.88 2.63 1.01 -1.26 -5.05 120.40 124.30 3hl4 s VAL 53 Ca 0.36 0.37 -0.25 0.00 0.00 0.00 0.00 61.98 62.46 3hl4 s VAL 53 Cb -0.16 -3.50 0.01 0.00 0.00 0.00 0.00 36.38 32.72 3hl4 s VAL 53 CO 0.12 0.54 1.60 -0.62 0.00 0.00 0.00 175.10 176.74 3hl4 s ASP 54 N -0.53 5.90 0.00 3.32 2.15 -1.26 -4.80 116.67 121.45 3hl4 s ASP 54 Ca 0.15 -0.80 0.10 0.00 0.43 0.00 0.00 52.55 52.43 3hl4 s ASP 54 Cb -0.13 -2.56 0.54 0.00 -0.30 0.00 0.00 42.92 40.47 3hl4 s ASP 54 CO 0.04 -2.02 1.12 0.49 -0.17 0.00 0.00 175.17 174.63 3hl4 n PHE 55 N 10.86 0.00 0.07 -5.34 3.72 -1.26 -1.91 117.46 123.61 3hl4 n PHE 55 Ca 0.27 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.54 3hl4 n PHE 55 Cb 0.50 -0.15 -0.09 0.00 -0.94 0.00 0.00 39.48 38.80 3hl4 n PHE 55 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 3hl4 h SER 56 N 0.00 -0.16 -2.42 4.37 0.87 -2.05 -3.42 113.55 110.73 3hl4 h SER 56 Ca 0.00 -0.28 -0.53 0.00 -1.23 0.00 0.00 61.79 59.75 3hl4 h SER 56 Cb 0.05 0.04 0.02 0.00 -0.44 0.00 0.00 62.40 62.07 3hl4 h SER 56 CO 0.00 0.21 1.20 -0.54 -0.53 0.00 0.00 176.83 177.17 3hl4 s LYS 57 N -4.63 4.14 0.73 2.24 1.02 -0.80 -4.97 119.74 117.47 3hl4 s LYS 57 Ca -0.15 2.59 -0.12 0.00 0.02 0.00 0.00 55.97 58.31 3hl4 s LYS 57 Cb 0.02 -4.01 0.03 0.00 -0.52 0.00 0.00 37.83 33.36 3hl4 s LYS 57 CO 0.60 -0.92 1.09 -1.25 -0.92 0.00 0.00 175.35 173.95 3hl4 s PRO 58 N 3.99 2.52 -0.61 -1.68 0.04 -1.26 -4.91 135.00 133.09 3hl4 s PRO 58 Ca 0.86 1.21 -0.26 0.00 0.04 0.00 0.00 61.00 62.84 3hl4 s PRO 58 Cb -0.43 -1.93 -0.04 0.00 0.04 0.00 0.00 34.50 32.15 3hl4 s PRO 58 CO 0.40 -1.44 2.00 -0.47 0.04 0.00 0.00 177.00 177.52 3hl4 s TYR 59 N -2.75 1.52 -0.21 0.56 5.04 -1.26 -4.94 117.35 115.31 3hl4 s TYR 59 Ca 0.62 0.98 0.01 0.00 -2.44 0.00 0.00 57.07 56.24 3hl4 s TYR 59 Cb -0.18 -3.96 0.05 0.00 0.35 0.00 0.00 41.96 38.23 3hl4 s TYR 59 CO 0.51 -2.31 -0.08 0.08 -1.34 0.00 0.00 175.55 172.41 3hl4 s VAL 60 N 9.97 1.61 0.46 3.14 1.01 -1.26 -5.13 120.40 130.20 3hl4 s VAL 60 Ca 0.75 -1.11 -0.19 0.00 0.00 0.00 0.00 61.98 61.43 3hl4 s VAL 60 Cb -0.13 -1.76 -0.10 0.00 0.00 0.00 0.00 36.38 34.39 3hl4 s VAL 60 CO 0.20 0.06 0.95 -0.13 0.00 0.00 0.00 175.10 176.18 3hl4 s ARG 61 N 1.39 4.10 0.25 2.72 0.52 -1.26 -5.05 118.95 121.62 3hl4 s ARG 61 Ca -0.03 1.02 -0.12 0.00 -0.52 0.00 0.00 55.73 56.08 3hl4 s ARG 61 Cb -0.17 -2.18 -0.08 0.00 0.52 0.00 0.00 34.95 33.04 3hl4 s ARG 61 CO -0.07 -0.11 0.60 0.54 0.02 0.00 0.00 175.30 176.28 3hl4 s VAL 62 N -2.34 4.85 0.68 3.52 0.11 -1.26 -5.08 120.40 120.88 3hl4 s VAL 62 Ca 0.60 0.64 -0.11 0.00 -2.93 0.00 0.00 61.98 60.18 3hl4 s VAL 62 Cb -0.09 -3.63 -0.00 0.00 -1.53 0.00 0.00 36.38 31.13 3hl4 s VAL 62 CO 0.20 -0.08 1.06 0.42 -3.33 0.00 0.00 175.10 173.38 3hl4 s THR 63 N -1.83 4.02 0.23 5.04 -4.23 -1.26 -4.87 115.64 112.73 3hl4 s THR 63 Ca 0.49 0.66 -0.07 0.00 -1.18 0.00 0.00 61.69 61.58 3hl4 s THR 63 Cb -0.11 -3.55 0.22 0.00 1.34 0.00 0.00 72.50 70.39 3hl4 s THR 63 CO 0.20 -0.86 1.68 0.24 -0.54 0.00 0.00 174.62 175.34 3hl4 h MET 64 N -0.60 0.22 -0.11 3.99 2.86 -1.98 0.71 114.93 120.02 3hl4 h MET 64 Ca -0.45 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.18 3hl4 h MET 64 Cb 1.22 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.83 3hl4 h MET 64 CO 0.61 0.15 0.07 0.93 1.06 0.00 0.00 176.91 179.72 3hl4 h GLU 65 N 0.23 0.14 -0.31 1.72 3.07 -1.99 0.01 114.58 117.46 3hl4 h GLU 65 Ca 0.38 -0.01 -0.13 0.00 -0.50 0.00 0.00 59.36 59.10 3hl4 h GLU 65 Cb 0.63 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.49 3hl4 h GLU 65 CO -0.50 0.11 -0.34 0.93 -1.40 0.00 0.00 179.01 177.82 3hl4 h GLU 66 N 0.13 0.67 -0.75 2.33 5.08 -1.85 -2.84 114.58 117.36 3hl4 h GLU 66 Ca 0.04 -0.31 -0.02 0.00 -1.00 0.00 0.00 59.36 58.06 3hl4 h GLU 66 Cb 0.00 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.21 3hl4 h GLU 66 CO -0.01 0.91 0.39 0.00 -1.00 0.00 0.00 179.01 179.30 3hl4 h ALA 67 N 1.06 0.96 0.00 3.43 0.00 -0.64 -2.84 119.26 121.23 3hl4 h ALA 67 Ca 0.06 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 3hl4 h ALA 67 Cb 0.85 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 3hl4 h ALA 67 CO 0.07 0.49 -0.30 0.00 0.00 0.00 0.00 179.25 179.52 3hl4 h ARG 69 N 0.00 0.00 0.00 0.00 3.08 -1.28 -3.43 114.38 112.75 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 0.90 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.95 3hl4 h ARG 69 CO 0.04 0.61 0.00 0.41 -1.07 0.00 0.00 179.97 179.96 3hl4 n GLY 70 N 0.47 2.59 3.90 0.04 0.00 -1.10 -5.02 105.19 106.06 3hl4 n GLY 70 Ca -0.01 -1.07 -0.28 0.00 0.00 0.00 0.00 46.02 44.67 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 3.38 0.62 2.61 -4.23 -1.26 -4.96 115.64 111.80 3hl4 s THR 71 Ca 0.00 0.17 -0.19 0.00 -1.18 0.00 0.00 61.69 60.49 3hl4 s THR 71 Cb 0.00 -3.40 -0.02 0.00 1.34 0.00 0.00 72.50 70.42 3hl4 s THR 71 CO 0.00 -0.47 1.30 -2.84 -0.54 0.00 0.00 174.62 172.07 3hl4 s PRO 72 N -5.19 2.69 0.23 3.99 0.02 -1.26 -4.86 135.00 130.62 3hl4 s PRO 72 Ca 0.57 2.07 -0.04 0.00 0.02 0.00 0.00 61.00 63.62 3hl4 s PRO 72 Cb -0.11 -1.92 0.45 0.00 0.02 0.00 0.00 34.50 32.94 3hl4 s PRO 72 CO 0.48 -1.49 1.26 0.00 -0.33 0.00 0.00 177.00 176.91 3hl4 n GLU 74 N -5.26 0.17 -3.26 0.00 1.02 -1.26 -4.20 120.64 107.85 3hl4 n GLU 74 Ca 0.15 0.33 -0.25 0.00 -0.02 0.00 0.00 57.16 57.37 3hl4 n GLU 74 Cb 0.47 -1.79 -0.07 0.00 -0.02 0.00 0.00 31.44 30.04 3hl4 n GLU 74 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 3hl4 n ARG 75 N -2.10 1.99 -1.58 3.49 3.00 0.67 -5.09 116.66 117.04 3hl4 n ARG 75 Ca 0.03 -4.18 -0.35 0.00 -0.00 0.00 0.00 57.85 53.35 3hl4 n ARG 75 Cb 0.27 -1.91 0.08 0.00 0.00 0.00 0.00 32.46 30.89 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 -2.27 2.35 -0.01 -0.14 0.04 -1.25 -4.32 135.00 129.41 3hl4 s PRO 76 Ca 0.40 1.82 -0.30 0.00 0.04 0.00 0.00 61.00 62.96 3hl4 s PRO 76 Cb 0.19 -1.85 -0.05 0.00 0.04 0.00 0.00 34.50 32.83 3hl4 s PRO 76 CO -0.06 -1.69 1.30 0.08 0.04 0.00 0.00 177.00 176.67 3hl4 s VAL 77 N -1.82 3.93 -0.40 -0.36 1.01 0.17 -4.78 120.40 118.15 3hl4 s VAL 77 Ca 0.76 1.31 -0.17 0.00 0.00 0.00 0.00 61.98 63.89 3hl4 s VAL 77 Cb -0.31 -3.84 0.01 0.00 0.00 0.00 0.00 36.38 32.24 3hl4 s VAL 77 CO 0.42 0.02 0.42 -0.13 0.00 0.00 0.00 175.10 175.83 3hl4 s ARG 78 N 2.09 3.24 -0.07 2.72 0.52 -1.26 -0.75 118.95 125.43 3hl4 s ARG 78 Ca 0.60 -0.65 0.01 0.00 -0.52 0.00 0.00 55.73 55.18 3hl4 s ARG 78 Cb -0.29 -3.92 -0.03 0.00 0.52 0.00 0.00 34.95 31.23 3hl4 s ARG 78 CO 0.25 -0.76 -0.08 0.08 0.02 0.00 0.00 175.30 174.82 3hl4 s VAL 79 N 2.11 3.62 -0.14 3.52 1.01 -0.33 -0.96 120.40 129.23 3hl4 s VAL 79 Ca 0.12 -0.51 -0.00 0.00 0.00 0.00 0.00 61.98 61.59 3hl4 s VAL 79 Cb -0.17 -2.48 -0.01 0.00 0.00 0.00 0.00 36.38 33.72 3hl4 s VAL 79 CO 0.13 0.59 -0.13 -0.47 0.00 0.00 0.00 175.10 175.22 3hl4 s TYR 80 N -0.74 2.80 -0.08 5.22 5.04 0.13 -0.34 117.35 129.38 3hl4 s TYR 80 Ca 0.11 -0.72 0.04 0.00 -2.44 0.00 0.00 57.07 54.05 3hl4 s TYR 80 Cb -0.11 -1.85 0.00 0.00 0.35 0.00 0.00 41.96 40.35 3hl4 s TYR 80 CO 0.01 -0.27 -0.20 0.00 -1.34 0.00 0.00 175.55 173.76 3hl4 s ALA 81 N 0.45 1.84 0.35 3.97 0.00 -0.57 -0.07 121.76 127.73 3hl4 s ALA 81 Ca -0.10 -0.78 0.09 0.00 0.00 0.00 0.00 51.96 51.17 3hl4 s ALA 81 Cb -0.16 -0.71 -0.05 0.00 0.00 0.00 0.00 23.12 22.20 3hl4 s ALA 81 CO 0.05 0.24 0.05 0.16 0.00 0.00 0.00 175.76 176.26 3hl4 s ASP 82 N 0.40 4.27 0.00 0.00 -4.77 -1.26 -1.88 116.67 113.43 3hl4 s ASP 82 Ca -0.16 -0.99 0.00 0.00 -3.30 0.00 0.00 52.55 48.10 3hl4 s ASP 82 Cb -0.17 -0.55 0.00 0.00 -1.09 0.00 0.00 42.92 41.11 3hl4 s ASP 82 CO 0.07 -0.29 0.00 0.61 0.70 0.00 0.00 175.17 176.25 3hl4 n GLY 83 N -1.02 0.30 0.11 2.12 0.00 -0.72 -4.94 105.19 101.04 3hl4 n GLY 83 Ca -0.04 -0.83 -0.20 0.00 0.00 0.00 0.00 46.02 44.96 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 0.01 1.45 -5.62 -0.61 1.08 -1.91 -2.58 117.51 109.33 3hl4 h ILE 84 Ca 0.00 -2.50 -0.37 0.00 -0.39 0.00 0.00 64.86 61.60 3hl4 h ILE 84 Cb 0.00 3.13 0.14 0.00 -3.07 0.00 0.00 36.82 37.02 3hl4 h ILE 84 CO 0.00 0.70 -0.67 0.49 -0.69 0.00 0.00 178.15 177.99 3hl4 n PHE 85 N -4.13 -2.65 -2.65 1.37 3.72 -1.26 -4.66 117.46 107.20 3hl4 n PHE 85 Ca -0.16 0.96 -0.41 0.00 -0.05 0.00 0.00 57.45 57.79 3hl4 n PHE 85 Cb 0.81 -4.90 -0.04 0.00 -0.94 0.00 0.00 39.48 34.42 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 -3.49 7.36 -1.31 4.37 2.15 -1.26 -2.91 116.67 121.58 3hl4 s ASP 86 Ca 0.46 1.82 -0.02 0.00 0.43 0.00 0.00 52.55 55.25 3hl4 s ASP 86 Cb -0.20 -2.58 -0.00 0.00 -0.30 0.00 0.00 42.92 39.83 3hl4 s ASP 86 CO 0.70 -0.21 0.65 0.18 -0.17 0.00 0.00 175.17 176.32 3hl4 n LEU 87 N 3.26 -2.97 -3.43 -1.34 4.77 -1.26 -4.71 117.00 111.32 3hl4 n LEU 87 Ca 0.05 -0.87 -0.49 0.00 -0.03 0.00 0.00 56.01 54.67 3hl4 n LEU 87 Cb 0.49 -2.57 -0.09 0.00 -2.33 0.00 0.00 43.42 38.93 3hl4 n LEU 87 CO 0.52 0.41 1.13 0.33 -1.33 0.00 0.00 177.39 178.45 3hl4 n PHE 88 N -4.26 1.09 -4.49 -1.77 7.35 -1.15 -4.88 117.46 109.35 3hl4 n PHE 88 Ca -0.28 0.72 -0.25 0.00 -0.76 0.00 0.00 57.45 56.88 3hl4 n PHE 88 Cb 0.67 -1.74 -0.08 0.00 0.35 0.00 0.00 39.48 38.68 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 3.59 1.79 0.48 -5.13 -3.43 -1.26 -5.04 115.29 106.29 3hl4 s HIS 89 Ca 0.87 -1.27 0.15 0.00 -0.80 0.00 0.00 55.06 54.01 3hl4 s HIS 89 Cb -1.15 -1.14 1.11 0.00 -1.43 0.00 0.00 32.58 29.98 3hl4 s HIS 89 CO 0.56 -0.30 2.07 0.77 -2.00 0.00 0.00 174.74 175.84 3hl4 h SER 90 N 1.86 0.04 -0.27 7.38 0.02 -1.99 -1.48 113.55 119.11 3hl4 h SER 90 Ca -0.35 -0.00 0.06 0.00 -0.84 0.00 0.00 61.79 60.65 3hl4 h SER 90 Cb 1.27 -0.01 -0.06 0.00 0.14 0.00 0.00 62.40 63.74 3hl4 h SER 90 CO 0.57 0.11 -0.09 1.23 -1.14 0.00 0.00 176.83 177.51 3hl4 h GLY 91 N 0.28 0.16 0.86 -3.77 0.00 -1.90 -0.76 103.07 97.94 3hl4 h GLY 91 Ca 0.01 0.12 0.02 0.00 0.00 0.00 0.00 47.33 47.48 3hl4 h GLY 91 CO 0.01 -0.12 0.19 0.45 0.00 0.00 0.00 176.54 177.07 3hl4 h HIS 92 N -0.04 0.36 -0.46 5.60 -0.00 -1.71 -2.43 115.15 116.47 3hl4 h HIS 92 Ca 0.14 0.01 -0.13 0.00 -0.00 0.00 0.00 60.37 60.39 3hl4 h HIS 92 Cb 0.24 -0.11 -0.01 0.00 -0.00 0.00 0.00 27.41 27.53 3hl4 h HIS 92 CO -0.29 0.20 -0.23 0.00 -0.00 0.00 0.00 177.93 177.62 3hl4 h ALA 93 N 1.18 0.71 -0.80 2.45 0.00 -1.14 0.13 119.26 121.79 3hl4 h ALA 93 Ca 0.15 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3hl4 h ALA 93 Cb 0.04 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 3hl4 h ALA 93 CO -0.09 0.67 0.51 0.00 0.00 0.00 0.00 179.25 180.34 3hl4 h ARG 94 N 0.83 1.07 -0.52 0.00 3.08 -1.10 0.82 114.38 118.54 3hl4 h ARG 94 Ca 0.11 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.08 3hl4 h ARG 94 Cb 0.80 -0.23 -0.03 0.00 0.08 0.00 0.00 29.97 30.59 3hl4 h ARG 94 CO 0.07 0.73 0.33 0.00 -1.07 0.00 0.00 179.97 180.03 3hl4 h ALA 95 N 1.27 0.66 -0.48 0.04 0.00 -1.01 -0.79 119.26 118.96 3hl4 h ALA 95 Ca 0.29 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 55.06 3hl4 h ALA 95 Cb -0.08 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 3hl4 h ALA 95 CO -0.06 0.13 -0.04 -0.07 0.00 0.00 0.00 179.25 179.21 3hl4 h LEU 96 N 0.70 0.87 -0.51 0.00 3.38 -0.46 -1.68 115.31 117.62 3hl4 h LEU 96 Ca 0.19 -0.33 0.10 0.00 0.09 0.00 0.00 57.88 57.93 3hl4 h LEU 96 Cb -0.05 -0.24 -0.10 0.00 0.09 0.00 0.00 40.66 40.37 3hl4 h LEU 96 CO -0.04 0.99 -0.14 -0.03 0.09 0.00 0.00 178.44 179.31 3hl4 h MET 97 N 0.73 -0.01 -0.67 1.13 4.05 0.91 -1.82 114.93 119.24 3hl4 h MET 97 Ca 0.13 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.54 3hl4 h MET 97 Cb 0.57 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 31.34 3hl4 h MET 97 CO 0.03 -0.01 0.38 1.96 0.23 0.00 0.00 176.91 179.50 3hl4 h GLN 98 N -0.01 0.92 -0.65 0.39 4.20 -0.86 -1.95 115.11 117.15 3hl4 h GLN 98 Ca 0.25 -0.10 -0.07 0.00 0.06 0.00 0.00 58.65 58.79 3hl4 h GLN 98 Cb 0.39 -0.19 -0.03 0.00 0.30 0.00 0.00 27.48 27.96 3hl4 h GLN 98 CO -0.53 0.68 0.15 0.00 -0.67 0.00 0.00 178.83 178.46 3hl4 h ALA 99 N 1.19 0.86 -0.13 3.87 0.00 -1.19 -2.46 119.26 121.39 3hl4 h ALA 99 Ca 0.24 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3hl4 h ALA 99 Cb 0.02 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3hl4 h ALA 99 CO -0.04 0.59 0.05 -0.22 0.00 0.00 0.00 179.25 179.63 3hl4 h LYS 100 N 0.98 0.18 -0.32 0.00 1.63 -1.13 -3.00 116.57 114.91 3hl4 h LYS 100 Ca 0.20 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.99 3hl4 h LYS 100 Cb 0.38 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 31.97 3hl4 h LYS 100 CO 0.00 0.16 0.00 0.09 -3.45 0.00 0.00 179.45 176.25 3hl4 n ASN 101 N -4.48 2.54 -0.35 4.20 3.02 -0.75 -4.49 115.26 114.96 3hl4 n ASN 101 Ca -0.01 -1.88 0.04 0.00 -0.03 0.00 0.00 54.58 52.70 3hl4 n ASN 101 Cb 0.11 -0.21 0.19 0.00 -0.61 0.00 0.00 39.78 39.26 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 3.20 0.92 -8.73 3.41 3.38 -1.30 -3.44 115.31 112.75 3hl4 h LEU 102 Ca 0.00 0.03 -0.32 0.00 0.09 0.00 0.00 57.88 57.67 3hl4 h LEU 102 Cb 0.71 -0.16 -0.15 0.00 0.09 0.00 0.00 40.66 41.15 3hl4 h LEU 102 CO 0.00 0.55 -0.67 -0.36 0.09 0.00 0.00 178.44 178.05 3hl4 s PHE 103 N -6.02 1.33 0.24 1.13 0.08 -1.26 -4.96 117.98 108.52 3hl4 s PHE 103 Ca -0.12 -0.94 0.08 0.00 0.12 0.00 0.00 56.93 56.06 3hl4 s PHE 103 Cb 0.20 -0.75 0.24 0.00 -0.57 0.00 0.00 43.02 42.14 3hl4 s PHE 103 CO 0.80 -0.11 1.55 -1.35 -0.10 0.00 0.00 175.22 176.01 3hl4 h PRO 104 N 2.64 0.07 -3.90 0.24 0.11 -1.84 -3.33 132.00 125.98 3hl4 h PRO 104 Ca -0.37 -0.05 -0.64 0.00 0.11 0.00 0.00 66.00 65.04 3hl4 h PRO 104 Cb 1.21 0.01 -0.40 0.00 0.11 0.00 0.00 31.00 31.93 3hl4 h PRO 104 CO 0.63 0.72 -0.69 1.21 -0.21 0.00 0.00 178.00 179.66 3hl4 s ASN 105 N -6.85 4.41 -0.00 -2.05 2.47 -1.26 -5.05 114.94 106.61 3hl4 s ASN 105 Ca -0.02 -2.50 0.07 0.00 0.42 0.00 0.00 52.86 50.84 3hl4 s ASN 105 Cb 0.12 -1.51 -0.02 0.00 -1.45 0.00 0.00 41.25 38.39 3hl4 s ASN 105 CO 0.78 -0.31 -0.23 -0.89 -3.72 0.00 0.00 177.10 172.73 3hl4 s THR 106 N 0.44 1.84 -0.19 -5.21 2.01 -1.25 -0.66 115.64 112.62 3hl4 s THR 106 Ca 0.14 -1.06 0.01 0.00 0.31 0.00 0.00 61.69 61.09 3hl4 s THR 106 Cb -0.22 -1.54 0.03 0.00 0.01 0.00 0.00 72.50 70.78 3hl4 s THR 106 CO -0.05 0.46 -0.17 -0.47 -0.69 0.00 0.00 174.62 173.70 3hl4 s TYR 107 N -0.60 2.74 -0.22 4.92 5.04 0.07 -4.87 117.35 124.42 3hl4 s TYR 107 Ca 0.09 -1.70 -0.10 0.00 -2.44 0.00 0.00 57.07 52.92 3hl4 s TYR 107 Cb -0.09 -1.85 -0.05 0.00 0.35 0.00 0.00 41.96 40.33 3hl4 s TYR 107 CO -0.00 -0.80 0.13 -1.17 -1.34 0.00 0.00 175.55 172.37 3hl4 s LEU 108 N 1.30 4.00 -0.13 6.97 2.96 -1.26 -1.19 118.68 131.33 3hl4 s LEU 108 Ca 0.02 0.09 -0.00 0.00 -0.22 0.00 0.00 54.13 54.02 3hl4 s LEU 108 Cb -0.15 -2.06 -0.01 0.00 0.50 0.00 0.00 46.19 44.47 3hl4 s LEU 108 CO -0.11 0.09 -0.13 -0.63 -1.32 0.00 0.00 176.35 174.25 3hl4 s ILE 109 N 0.88 3.00 -0.22 6.68 1.01 0.54 -1.50 121.20 131.59 3hl4 s ILE 109 Ca 0.06 -0.68 -0.02 0.00 0.00 0.00 0.00 60.65 60.01 3hl4 s ILE 109 Cb -0.13 -2.26 0.00 0.00 0.01 0.00 0.00 42.46 40.08 3hl4 s ILE 109 CO 0.03 0.52 -0.08 -0.69 0.00 0.00 0.00 174.94 174.72 3hl4 s VAL 110 N 0.42 3.00 -0.03 2.92 1.01 0.20 -1.52 120.40 126.40 3hl4 s VAL 110 Ca -0.10 -0.69 -0.14 0.00 0.00 0.00 0.00 61.98 61.05 3hl4 s VAL 110 Cb -0.16 -2.37 -0.05 0.00 0.00 0.00 0.00 36.38 33.79 3hl4 s VAL 110 CO 0.05 0.41 0.38 -0.83 0.00 0.00 0.00 175.10 175.11 3hl4 s GLY 111 N 1.41 2.43 -0.07 4.51 0.00 -0.79 -1.30 107.32 113.50 3hl4 s GLY 111 Ca 0.05 -0.27 0.03 0.00 0.00 0.00 0.00 44.72 44.53 3hl4 s GLY 111 CO -0.06 0.19 -0.15 0.14 0.00 0.00 0.00 173.10 173.22 3hl4 s VAL 112 N -0.78 1.36 0.25 1.40 1.01 -0.61 -1.76 120.40 121.26 3hl4 s VAL 112 Ca 0.23 -0.61 -0.24 0.00 0.00 0.00 0.00 61.98 61.36 3hl4 s VAL 112 Cb -0.16 -1.22 -0.09 0.00 0.00 0.00 0.00 36.38 34.91 3hl4 s VAL 112 CO 0.12 0.41 0.82 0.00 0.00 0.00 0.00 175.10 176.44 3hl4 s SER 114 N -1.51 4.01 0.24 0.00 1.04 -1.26 -4.82 113.70 111.40 3hl4 s SER 114 Ca 0.44 2.00 -0.05 0.00 0.48 0.00 0.00 55.95 58.82 3hl4 s SER 114 Cb -0.19 -2.54 0.34 0.00 0.10 0.00 0.00 66.02 63.72 3hl4 s SER 114 CO 0.24 -2.37 1.84 0.44 0.98 0.00 0.00 173.24 174.37 3hl4 h ASP 115 N -1.21 0.80 0.19 7.02 3.32 -1.95 -1.97 116.42 122.63 3hl4 h ASP 115 Ca -0.44 0.02 0.01 0.00 0.02 0.00 0.00 57.03 56.64 3hl4 h ASP 115 Cb 1.25 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.63 3hl4 h ASP 115 CO 0.48 0.51 -0.22 -0.08 -1.72 0.00 0.00 179.24 178.21 3hl4 h GLU 116 N 0.93 -0.44 -0.37 3.56 4.81 -1.99 0.48 114.58 121.56 3hl4 h GLU 116 Ca 0.37 0.03 0.05 0.00 -0.13 0.00 0.00 59.36 59.68 3hl4 h GLU 116 Cb 0.20 0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.63 3hl4 h GLU 116 CO -0.18 -0.29 0.11 -0.07 -0.73 0.00 0.00 179.01 177.84 3hl4 h LEU 117 N -0.46 0.09 -0.51 1.64 4.07 -1.93 -1.41 115.31 116.80 3hl4 h LEU 117 Ca 0.01 0.05 -0.01 0.00 0.08 0.00 0.00 57.88 58.01 3hl4 h LEU 117 Cb 0.44 0.05 -0.02 0.00 1.08 0.00 0.00 40.66 42.21 3hl4 h LEU 117 CO -0.08 0.09 0.28 0.74 -1.08 0.00 0.00 178.44 178.39 3hl4 h THR 118 N 0.25 1.17 -0.55 0.22 2.02 -0.97 -1.09 112.91 113.96 3hl4 h THR 118 Ca 0.17 -0.44 -0.01 0.00 0.77 0.00 0.00 66.41 66.91 3hl4 h THR 118 Cb 0.17 0.54 -0.03 0.00 -1.74 0.00 0.00 68.15 67.09 3hl4 h THR 118 CO -0.20 0.19 0.31 0.45 0.37 0.00 0.00 175.52 176.64 3hl4 h HIS 119 N 0.68 0.75 -0.62 3.16 3.86 -0.74 0.25 115.15 122.49 3hl4 h HIS 119 Ca 0.18 -0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 59.35 3hl4 h HIS 119 Cb 0.05 -0.24 -0.03 0.00 1.06 0.00 0.00 27.41 28.25 3hl4 h HIS 119 CO -0.02 0.54 0.27 -0.91 0.86 0.00 0.00 177.93 178.68 3hl4 h ASN 120 N 0.75 0.83 0.00 2.45 -0.26 -0.92 -3.32 115.58 115.10 3hl4 h ASN 120 Ca 0.20 -0.15 0.00 0.00 -0.56 0.00 0.00 56.30 55.79 3hl4 h ASN 120 Cb 0.03 -0.21 0.00 0.00 -1.06 0.00 0.00 38.32 37.07 3hl4 h ASN 120 CO -0.03 0.75 -1.25 0.49 -1.06 0.00 0.00 177.43 176.33 3hl4 n PHE 121 N -4.48 0.00 0.00 1.19 3.72 -0.44 -4.88 117.46 112.58 3hl4 n PHE 121 Ca 0.04 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.44 3hl4 n PHE 121 Cb 0.15 -0.20 0.00 0.00 -0.94 0.00 0.00 39.48 38.49 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 -1.73 0.00 -0.34 -1.08 4.81 0.73 -4.92 118.16 115.63 3hl4 n LYS 122 Ca -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.43 3hl4 n LYS 122 Cb 0.30 -0.43 0.00 0.00 0.02 0.00 0.00 35.03 34.92 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 2.18 0.84 3.77 3.14 0.00 -0.28 -5.02 105.19 109.83 3hl4 n GLY 123 Ca 0.00 -1.82 -0.37 0.00 0.00 0.00 0.00 46.02 43.82 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 -2.81 3.03 -0.14 1.61 5.36 -1.26 -3.49 117.98 120.27 3hl4 s PHE 124 Ca 0.00 1.56 -0.02 0.00 -0.96 0.00 0.00 56.93 57.51 3hl4 s PHE 124 Cb 0.00 -3.34 -0.02 0.00 -0.34 0.00 0.00 43.02 39.32 3hl4 s PHE 124 CO 0.00 -1.26 -0.08 0.95 -1.46 0.00 0.00 175.22 173.37 3hl4 s THR 125 N -1.51 3.47 0.03 0.12 -4.23 -1.26 -5.02 115.64 107.24 3hl4 s THR 125 Ca 0.60 -0.51 -0.25 0.00 -1.18 0.00 0.00 61.69 60.35 3hl4 s THR 125 Cb -0.28 -2.49 -0.18 0.00 1.34 0.00 0.00 72.50 70.89 3hl4 s THR 125 CO 0.35 0.51 1.48 0.58 -0.54 0.00 0.00 174.62 176.99 3hl4 h VAL 126 N 5.28 1.18 -3.22 2.29 2.07 -1.97 -3.43 116.25 118.46 3hl4 h VAL 126 Ca -0.29 -0.61 -0.58 0.00 0.82 0.00 0.00 66.70 66.04 3hl4 h VAL 126 Cb 1.20 1.59 -0.06 0.00 -1.52 0.00 0.00 31.29 32.50 3hl4 h VAL 126 CO 0.59 0.16 -0.13 -0.04 0.02 0.00 0.00 177.57 178.17 3hl4 s MET 127 N -5.14 4.19 0.90 1.57 -1.94 -1.26 -5.07 119.30 112.54 3hl4 s MET 127 Ca -0.15 0.51 -0.13 0.00 -1.71 0.00 0.00 55.69 54.22 3hl4 s MET 127 Cb 0.04 -3.33 0.13 0.00 2.01 0.00 0.00 34.83 33.68 3hl4 s MET 127 CO 0.66 0.41 1.18 0.54 -0.01 0.00 0.00 175.02 177.80 3hl4 s ASN 128 N -0.24 3.69 0.25 3.03 2.20 -1.26 -4.73 114.94 117.88 3hl4 s ASN 128 Ca 0.26 0.78 -0.05 0.00 -0.94 0.00 0.00 52.86 52.91 3hl4 s ASN 128 Cb -0.17 -1.23 0.30 0.00 -2.00 0.00 0.00 41.25 38.16 3hl4 s ASN 128 CO 0.13 -2.42 1.90 1.05 -2.94 0.00 0.00 177.10 174.82 3hl4 h GLU 129 N -1.41 1.19 -0.47 3.55 4.11 -1.95 -0.95 114.58 118.65 3hl4 h GLU 129 Ca -0.48 -0.07 -0.11 0.00 0.07 0.00 0.00 59.36 58.78 3hl4 h GLU 129 Cb 1.32 -0.27 -0.02 0.00 0.50 0.00 0.00 28.75 30.28 3hl4 h GLU 129 CO 0.59 0.78 -0.13 -0.91 0.07 0.00 0.00 179.01 179.41 3hl4 h ASN 130 N 1.22 0.88 0.04 3.06 2.35 -1.97 0.11 115.58 121.27 3hl4 h ASN 130 Ca 0.38 -0.29 -0.09 0.00 -0.55 0.00 0.00 56.30 55.75 3hl4 h ASN 130 Cb -0.01 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.10 3hl4 h ASN 130 CO -0.12 1.02 -0.28 -0.33 -1.65 0.00 0.00 177.43 176.07 3hl4 h GLU 131 N 0.79 0.37 0.05 0.81 5.08 -1.66 -2.16 114.58 117.85 3hl4 h GLU 131 Ca 0.12 -0.14 -0.24 0.00 -1.00 0.00 0.00 59.36 58.10 3hl4 h GLU 131 Cb 0.66 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.89 3hl4 h GLU 131 CO 0.05 0.63 -1.05 0.00 -1.00 0.00 0.00 179.01 177.63 3hl4 h ARG 132 N 0.33 0.33 -0.49 2.33 3.08 -0.54 -2.43 114.38 116.99 3hl4 h ARG 132 Ca 0.05 -0.43 0.05 0.00 0.07 0.00 0.00 59.98 59.72 3hl4 h ARG 132 Cb 0.67 0.14 -0.05 0.00 0.08 0.00 0.00 29.97 30.81 3hl4 h ARG 132 CO 0.05 1.13 0.23 1.88 -1.07 0.00 0.00 179.97 182.19 3hl4 h TYR 133 N 0.16 0.41 -0.59 3.04 0.05 -0.75 -2.91 116.97 116.39 3hl4 h TYR 133 Ca -0.10 0.02 -0.04 0.00 0.05 0.00 0.00 58.73 58.67 3hl4 h TYR 133 Cb 1.72 -0.11 -0.03 0.00 1.01 0.00 0.00 36.73 39.32 3hl4 h TYR 133 CO 0.06 0.19 0.21 0.22 -1.05 0.00 0.00 178.16 177.79 3hl4 h ASP 134 N 0.45 0.83 -0.46 3.88 3.58 -1.32 -2.76 116.42 120.62 3hl4 h ASP 134 Ca 0.22 -0.19 -0.04 0.00 0.42 0.00 0.00 57.03 57.45 3hl4 h ASP 134 Cb 0.16 -0.22 -0.02 0.00 1.72 0.00 0.00 39.33 40.98 3hl4 h ASP 134 CO -0.18 0.79 0.15 0.00 -2.88 0.00 0.00 179.24 177.12 3hl4 h ALA 135 N 1.07 0.60 0.00 -0.78 0.00 -1.35 -2.22 119.26 116.59 3hl4 h ALA 135 Ca 0.19 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 3hl4 h ALA 135 Cb 0.24 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3hl4 h ALA 135 CO -0.01 0.25 -0.17 0.28 0.00 0.00 0.00 179.25 179.60 3hl4 h VAL 136 N 0.61 1.04 0.00 0.00 2.07 -1.44 -2.24 116.25 116.29 3hl4 h VAL 136 Ca 0.15 -0.60 -0.04 0.00 0.82 0.00 0.00 66.70 67.03 3hl4 h VAL 136 Cb 0.26 1.33 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 3hl4 h VAL 136 CO -0.01 0.17 -0.18 1.56 0.02 0.00 0.00 177.57 179.13 3hl4 h GLN 137 N 0.00 0.00 -0.28 1.57 4.20 -1.10 -2.49 115.11 117.01 3hl4 h GLN 137 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3hl4 h GLN 137 Cb 0.32 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.10 3hl4 h GLN 137 CO 0.02 0.18 0.00 0.72 -0.67 0.00 0.00 178.83 179.09 3hl4 n HIS 138 N -3.58 0.36 -2.38 2.96 8.25 -0.85 -1.07 115.22 118.92 3hl4 n HIS 138 Ca -0.01 -0.18 -0.41 0.00 -0.26 0.00 0.00 57.72 56.85 3hl4 n HIS 138 Cb 0.32 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.40 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 5.75 0.48 -0.00 0.00 2.43 -1.91 -3.14 114.38 117.99 3hl4 h ARG 140 Ca -0.44 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.71 3hl4 h ARG 140 Cb 1.21 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.66 3hl4 h ARG 140 CO 0.77 0.31 -0.41 0.66 -1.51 0.00 0.00 179.97 179.79 3hl4 n TYR 141 N -4.82 0.00 -3.33 2.20 4.01 -1.26 -4.93 117.16 109.02 3hl4 n TYR 141 Ca 0.27 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.63 3hl4 n TYR 141 Cb 0.83 -0.22 -0.06 0.00 -0.31 0.00 0.00 39.34 39.58 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 -2.86 4.94 -0.16 -0.72 1.01 -1.19 -4.67 120.40 116.75 3hl4 s VAL 142 Ca 0.15 1.06 0.17 0.00 0.00 0.00 0.00 61.98 63.36 3hl4 s VAL 142 Cb 0.18 -3.83 -0.23 0.00 0.00 0.00 0.00 36.38 32.49 3hl4 s VAL 142 CO 0.64 0.49 0.10 0.47 0.00 0.00 0.00 175.10 176.81 3hl4 n ASP 143 N 2.33 0.49 -3.50 3.32 8.00 -0.56 -4.69 116.55 121.94 3hl4 n ASP 143 Ca -0.10 0.00 -0.16 0.00 0.71 0.00 0.00 54.79 55.24 3hl4 n ASP 143 Cb 0.51 1.06 -0.05 0.00 -0.02 0.00 0.00 41.12 42.62 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 -2.54 1.08 -0.10 -1.24 2.12 -0.96 -4.18 118.70 112.88 3hl4 s GLU 144 Ca -0.09 0.06 0.01 0.00 0.36 0.00 0.00 54.97 55.31 3hl4 s GLU 144 Cb 0.06 0.51 0.02 0.00 0.26 0.00 0.00 34.13 34.98 3hl4 s GLU 144 CO 0.76 -0.38 -0.11 0.08 -0.54 0.00 0.00 175.26 175.06 3hl4 s VAL 145 N -1.85 1.21 -0.25 3.70 1.01 -0.65 -0.63 120.40 122.93 3hl4 s VAL 145 Ca -0.07 -0.46 -0.11 0.00 0.00 0.00 0.00 61.98 61.33 3hl4 s VAL 145 Cb -0.00 -1.15 -0.05 0.00 0.00 0.00 0.00 36.38 35.18 3hl4 s VAL 145 CO 0.03 0.39 0.21 -0.69 0.00 0.00 0.00 175.10 175.04 3hl4 s VAL 146 N 1.15 5.31 0.53 2.92 1.01 -0.42 -0.01 120.40 130.90 3hl4 s VAL 146 Ca -0.05 0.25 -0.05 0.00 0.00 0.00 0.00 61.98 62.14 3hl4 s VAL 146 Cb -0.14 -3.54 -0.01 0.00 0.00 0.00 0.00 36.38 32.68 3hl4 s VAL 146 CO -0.03 0.29 0.83 -0.13 0.00 0.00 0.00 175.10 176.06 3hl4 s ARG 147 N 1.41 3.15 -1.52 2.72 0.52 -1.26 -1.58 118.95 122.39 3hl4 s ARG 147 Ca 0.09 -0.00 -0.12 0.00 -0.52 0.00 0.00 55.73 55.17 3hl4 s ARG 147 Cb -0.15 -2.35 0.08 0.00 0.52 0.00 0.00 34.95 33.06 3hl4 s ARG 147 CO 0.07 -0.47 0.94 -1.71 0.02 0.00 0.00 175.30 174.15 3hl4 n ASN 148 N -2.41 -4.30 -4.74 0.23 2.85 -0.88 -4.81 115.26 101.20 3hl4 n ASN 148 Ca 0.03 -0.80 -0.36 0.00 -0.11 0.00 0.00 54.58 53.34 3hl4 n ASN 148 Cb 0.57 -3.83 0.05 0.00 1.24 0.00 0.00 39.78 37.80 3hl4 n ASN 148 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3hl4 s ALA 149 N -3.35 2.47 0.60 5.20 0.00 -0.26 -4.79 121.76 121.63 3hl4 s ALA 149 Ca 0.59 1.07 -0.10 0.00 0.00 0.00 0.00 51.96 53.52 3hl4 s ALA 149 Cb -0.30 -3.49 -0.04 0.00 0.00 0.00 0.00 23.12 19.29 3hl4 s ALA 149 CO 0.83 -1.35 0.99 -1.25 0.00 0.00 0.00 175.76 174.99 3hl4 s PRO 150 N -3.38 3.60 -0.06 0.00 0.04 -1.26 -4.51 135.00 129.43 3hl4 s PRO 150 Ca 0.79 0.68 -0.27 0.00 0.04 0.00 0.00 61.00 62.24 3hl4 s PRO 150 Cb -0.33 -2.12 -0.22 0.00 0.04 0.00 0.00 34.50 31.87 3hl4 s PRO 150 CO 0.36 -0.51 1.07 2.35 0.04 0.00 0.00 177.00 180.31 3hl4 h TRP 151 N -0.20 -0.01 -3.53 0.56 2.91 -1.99 -3.44 115.95 110.25 3hl4 h TRP 151 Ca -0.45 -0.00 -0.67 0.00 1.13 0.00 0.00 58.89 58.91 3hl4 h TRP 151 Cb 1.19 0.00 -0.22 0.00 -0.51 0.00 0.00 29.16 29.63 3hl4 h TRP 151 CO 0.65 0.64 -0.71 0.99 -1.03 0.00 0.00 178.44 178.98 3hl4 s THR 152 N -3.51 3.55 0.34 2.65 2.01 -1.26 -4.99 115.64 114.43 3hl4 s THR 152 Ca -0.17 -0.51 -0.27 0.00 0.31 0.00 0.00 61.69 61.06 3hl4 s THR 152 Cb -0.00 -2.49 -0.09 0.00 0.01 0.00 0.00 72.50 69.93 3hl4 s THR 152 CO 0.66 0.55 1.07 -0.76 -0.69 0.00 0.00 174.62 175.45 3hl4 s LEU 153 N -0.22 4.34 0.26 4.42 1.43 -1.26 -5.04 118.68 122.60 3hl4 s LEU 153 Ca 0.03 2.14 0.11 0.00 -1.03 0.00 0.00 54.13 55.37 3hl4 s LEU 153 Cb -0.13 -3.92 -0.05 0.00 0.03 0.00 0.00 46.19 42.12 3hl4 s LEU 153 CO 0.03 -0.32 -0.19 0.42 0.23 0.00 0.00 176.35 176.51 3hl4 s THR 154 N -1.43 2.36 0.29 5.49 -4.23 -1.26 -5.03 115.64 111.84 3hl4 s THR 154 Ca 0.51 -2.35 -0.02 0.00 -1.18 0.00 0.00 61.69 58.65 3hl4 s THR 154 Cb -0.26 -2.25 0.23 0.00 1.34 0.00 0.00 72.50 71.55 3hl4 s THR 154 CO 0.34 -0.41 1.92 -0.65 -0.54 0.00 0.00 174.62 175.28 3hl4 h PRO 155 N 2.38 1.01 -0.34 3.99 0.11 -1.99 -1.90 132.00 135.26 3hl4 h PRO 155 Ca -0.40 -0.11 0.06 0.00 0.11 0.00 0.00 66.00 65.66 3hl4 h PRO 155 Cb 1.25 -0.20 -0.05 0.00 0.11 0.00 0.00 31.00 32.10 3hl4 h PRO 155 CO 0.59 0.73 0.01 1.49 -0.21 0.00 0.00 178.00 180.61 3hl4 h GLU 156 N 1.02 0.10 -0.55 1.05 4.81 -1.99 -1.83 114.58 117.19 3hl4 h GLU 156 Ca 0.26 -0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.39 3hl4 h GLU 156 Cb 0.01 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.35 3hl4 h GLU 156 CO -0.04 0.07 -0.03 0.35 -0.73 0.00 0.00 179.01 178.62 3hl4 h PHE 157 N 0.10 1.05 -0.09 0.92 3.57 -1.79 0.16 116.94 120.87 3hl4 h PHE 157 Ca 0.16 -0.18 -0.18 0.00 3.53 0.00 0.00 57.97 61.30 3hl4 h PHE 157 Cb 0.22 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 38.68 3hl4 h PHE 157 CO -0.23 0.96 -0.71 -0.07 -2.23 0.00 0.00 178.31 176.02 3hl4 h LEU 158 N 0.88 0.49 -0.03 0.59 3.38 -1.26 -1.73 115.31 117.63 3hl4 h LEU 158 Ca 0.16 -0.31 -0.17 0.00 0.09 0.00 0.00 57.88 57.65 3hl4 h LEU 158 Cb 0.56 -0.14 0.01 0.00 0.09 0.00 0.00 40.66 41.18 3hl4 h LEU 158 CO 0.03 1.04 -0.63 0.00 0.09 0.00 0.00 178.44 178.98 3hl4 h ALA 159 N 0.95 0.12 -0.76 1.53 0.00 -1.15 0.02 119.26 119.97 3hl4 h ALA 159 Ca -0.03 -0.57 0.01 0.00 0.00 0.00 0.00 54.91 54.33 3hl4 h ALA 159 Cb 1.28 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 19.05 3hl4 h ALA 159 CO 0.12 0.40 0.50 1.05 0.00 0.00 0.00 179.25 181.33 3hl4 h GLU 160 N 0.03 0.97 -0.29 0.00 4.11 -0.47 -2.10 114.58 116.82 3hl4 h GLU 160 Ca -0.07 -0.06 0.00 0.00 0.07 0.00 0.00 59.36 59.30 3hl4 h GLU 160 Cb 1.31 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 30.34 3hl4 h GLU 160 CO 0.13 0.64 0.00 0.72 0.07 0.00 0.00 179.01 180.57 3hl4 n HIS 161 N -4.43 0.38 -3.77 2.06 8.25 -0.67 -4.96 115.22 112.08 3hl4 n HIS 161 Ca 0.09 -0.19 -0.23 0.00 -0.26 0.00 0.00 57.72 57.13 3hl4 n HIS 161 Cb 0.05 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.18 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 0.85 -4.18 -2.94 -0.41 5.12 -0.70 -4.89 116.66 109.51 3hl4 n ARG 162 Ca 0.17 0.55 -0.41 0.00 -1.93 0.00 0.00 57.85 56.23 3hl4 n ARG 162 Cb 0.44 -4.93 -0.04 0.00 -1.16 0.00 0.00 32.46 26.77 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 -3.75 4.95 -0.09 0.55 1.01 -0.09 -4.74 121.20 119.04 3hl4 s ILE 163 Ca 0.03 1.59 -0.19 0.00 0.00 0.00 0.00 60.65 62.08 3hl4 s ILE 163 Cb -0.01 -4.11 -0.28 0.00 0.01 0.00 0.00 42.46 38.07 3hl4 s ILE 163 CO 0.84 0.13 0.66 0.44 0.00 0.00 0.00 174.94 177.01 3hl4 h ASP 164 N 7.06 0.37 -5.10 3.58 3.32 -1.39 -3.48 116.42 120.78 3hl4 h ASP 164 Ca -0.35 -0.87 -0.13 0.00 0.02 0.00 0.00 57.03 55.69 3hl4 h ASP 164 Cb 1.17 -0.12 -0.18 0.00 0.22 0.00 0.00 39.33 40.42 3hl4 h ASP 164 CO 0.79 1.51 -0.60 -0.36 -1.72 0.00 0.00 179.24 178.86 3hl4 s PHE 165 N -2.44 0.29 -0.14 4.55 0.08 -1.02 -4.84 117.98 114.45 3hl4 s PHE 165 Ca -0.18 -0.64 -0.01 0.00 0.12 0.00 0.00 56.93 56.22 3hl4 s PHE 165 Cb 0.03 -0.21 -0.01 0.00 -0.57 0.00 0.00 43.02 42.26 3hl4 s PHE 165 CO 0.77 -0.33 -0.12 0.08 -0.10 0.00 0.00 175.22 175.52 3hl4 s VAL 166 N -2.67 3.14 -0.13 -0.44 1.01 0.28 -0.69 120.40 120.89 3hl4 s VAL 166 Ca -0.04 -0.62 0.00 0.00 0.00 0.00 0.00 61.98 61.31 3hl4 s VAL 166 Cb -0.01 -2.33 -0.01 0.00 0.00 0.00 0.00 36.38 34.02 3hl4 s VAL 166 CO -0.05 0.51 -0.14 0.00 0.00 0.00 0.00 175.10 175.43 3hl4 s ALA 167 N 0.45 2.59 0.05 5.51 0.00 0.89 0.40 121.76 131.65 3hl4 s ALA 167 Ca -0.09 -0.89 -0.27 0.00 0.00 0.00 0.00 51.96 50.70 3hl4 s ALA 167 Cb -0.16 -1.19 0.09 0.00 0.00 0.00 0.00 23.12 21.87 3hl4 s ALA 167 CO 0.04 0.25 0.89 -1.58 0.00 0.00 0.00 175.76 175.37 3hl4 s HIS 168 N 0.35 -0.30 0.90 0.00 5.04 -1.23 -4.05 115.29 116.00 3hl4 s HIS 168 Ca -0.11 0.11 -0.11 0.00 -1.54 0.00 0.00 55.06 53.40 3hl4 s HIS 168 Cb -0.16 0.57 0.12 0.00 0.04 0.00 0.00 32.58 33.15 3hl4 s HIS 168 CO 0.06 -0.64 1.09 -0.40 -2.34 0.00 0.00 174.74 172.50 3hl4 n ASP 169 N -0.32 0.25 -0.35 9.88 5.68 -1.25 -0.78 116.55 129.66 3hl4 n ASP 169 Ca -0.08 0.45 0.13 0.00 -0.50 0.00 0.00 54.79 54.78 3hl4 n ASP 169 Cb 0.62 -1.46 0.56 0.00 -1.14 0.00 0.00 41.12 39.70 3hl4 n ASP 169 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 3hl4 n ASP 170 N -3.73 1.06 -4.69 -1.12 2.03 -1.26 -4.79 116.55 104.05 3hl4 n ASP 170 Ca 0.12 -1.46 -0.42 0.00 0.52 0.00 0.00 54.79 53.55 3hl4 n ASP 170 Cb 0.52 -0.03 -0.03 0.00 -0.72 0.00 0.00 41.12 40.86 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 -1.94 4.23 0.02 5.18 1.01 -1.26 -4.92 121.20 123.52 3hl4 s ILE 171 Ca 0.37 1.57 -0.36 0.00 0.00 0.00 0.00 60.65 62.22 3hl4 s ILE 171 Cb 0.19 -4.01 -0.15 0.00 0.01 0.00 0.00 42.46 38.50 3hl4 s ILE 171 CO 0.30 0.03 1.52 -2.65 0.00 0.00 0.00 174.94 174.14 3hl4 n PRO 172 N 4.91 1.48 -3.17 2.79 -0.01 -1.26 -4.89 135.00 134.85 3hl4 n PRO 172 Ca 0.10 0.54 -0.44 0.00 -0.01 0.00 0.00 63.50 63.69 3hl4 n PRO 172 Cb 0.46 -2.24 -0.06 0.00 -0.01 0.00 0.00 33.50 31.65 3hl4 n PRO 172 CO 0.00 0.00 0.00 -0.47 -0.01 0.00 0.00 175.50 175.02 3hl4 s TYR 173 N 1.48 3.06 -0.29 6.00 5.04 -1.26 -4.90 117.35 126.49 3hl4 s TYR 173 Ca 0.86 -0.55 -0.10 0.00 -2.44 0.00 0.00 57.07 54.84 3hl4 s TYR 173 Cb -0.89 -3.50 -0.03 0.00 0.35 0.00 0.00 41.96 37.90 3hl4 s TYR 173 CO 0.49 -1.01 0.17 -1.54 -1.34 0.00 0.00 175.55 172.32 3hl4 s SER 174 N 2.65 5.75 -0.08 4.32 1.04 -1.16 -0.98 113.70 125.24 3hl4 s SER 174 Ca 0.14 -0.22 0.02 0.00 0.48 0.00 0.00 55.95 56.38 3hl4 s SER 174 Cb -0.19 -2.06 0.01 0.00 0.10 0.00 0.00 66.02 63.88 3hl4 s SER 174 CO 0.12 -0.11 -0.14 -0.44 0.98 0.00 0.00 173.24 173.65 3hl4 s SER 175 N 1.69 2.06 0.10 7.02 0.01 -1.20 -5.00 113.70 118.39 3hl4 s SER 175 Ca 0.06 -0.35 0.03 0.00 1.31 0.00 0.00 55.95 57.01 3hl4 s SER 175 Cb -0.16 -0.94 -0.04 0.00 0.21 0.00 0.00 66.02 65.09 3hl4 s SER 175 CO 0.08 0.04 -0.09 0.00 0.41 0.00 0.00 173.24 173.68 3hl4 s ALA 176 N 0.74 1.11 0.00 1.44 0.00 -1.26 -3.03 121.76 120.77 3hl4 s ALA 176 Ca -0.13 -1.24 0.00 0.00 0.00 0.00 0.00 51.96 50.59 3hl4 s ALA 176 Cb -0.16 0.05 0.00 0.00 0.00 0.00 0.00 23.12 23.02 3hl4 s ALA 176 CO 0.03 -0.08 0.00 0.41 0.00 0.00 0.00 175.76 176.12 3hl4 n GLY 177 N 0.39 1.31 3.05 0.00 0.00 -1.26 -5.08 105.19 103.60 3hl4 n GLY 177 Ca -0.15 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.75 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 -3.16 -0.21 0.14 1.61 0.15 -1.17 -5.04 113.70 106.02 3hl4 s SER 178 Ca 0.00 0.43 -0.14 0.00 0.70 0.00 0.00 55.95 56.93 3hl4 s SER 178 Cb 0.00 0.38 0.02 0.00 -1.71 0.00 0.00 66.02 64.70 3hl4 s SER 178 CO 0.00 -0.11 1.67 0.44 1.20 0.00 0.00 173.24 176.43 3hl4 h ASP 179 N 6.49 0.68 -3.02 5.45 3.32 -1.87 -3.18 116.42 124.29 3hl4 h ASP 179 Ca -0.33 -0.21 -0.35 0.00 0.02 0.00 0.00 57.03 56.17 3hl4 h ASP 179 Cb 1.17 -0.18 -0.38 0.00 0.22 0.00 0.00 39.33 40.17 3hl4 h ASP 179 CO 0.39 0.70 -0.68 -0.62 -1.72 0.00 0.00 179.24 177.31 3hl4 s ASP 180 N -6.02 1.27 0.49 6.45 2.15 -1.24 -2.97 116.67 116.79 3hl4 s ASP 180 Ca -0.13 -0.01 0.31 0.00 0.43 0.00 0.00 52.55 53.14 3hl4 s ASP 180 Cb 0.11 0.10 1.19 0.00 -0.30 0.00 0.00 42.92 44.02 3hl4 s ASP 180 CO 0.78 -0.28 1.90 -0.37 -0.17 0.00 0.00 175.17 177.02 3hl4 h VAL 181 N 6.38 0.00 -0.01 1.11 -1.51 -1.35 -1.20 116.25 119.68 3hl4 h VAL 181 Ca -0.14 -0.52 0.00 0.00 -1.23 0.00 0.00 66.70 64.81 3hl4 h VAL 181 Cb 1.13 1.48 0.00 0.00 -2.13 0.00 0.00 31.29 31.77 3hl4 h VAL 181 CO 0.20 0.00 -0.07 -1.22 -1.23 0.00 0.00 177.57 175.24 3hl4 n TYR 182 N -2.94 0.00 -0.24 5.19 4.01 -1.26 -4.59 117.16 117.34 3hl4 n TYR 182 Ca 0.01 0.00 0.02 0.00 -0.16 0.00 0.00 57.90 57.77 3hl4 n TYR 182 Cb 0.32 -0.09 0.14 0.00 -0.31 0.00 0.00 39.34 39.40 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 1.05 0.52 -0.41 -0.72 3.64 -1.61 -0.67 116.57 118.36 3hl4 h LYS 183 Ca 0.00 -0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.25 3hl4 h LYS 183 Cb 0.35 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.03 3hl4 h LYS 183 CO 0.00 0.34 -0.13 1.25 -2.27 0.00 0.00 179.45 178.64 3hl4 h HIS 184 N 0.53 0.83 -0.53 1.91 2.76 -1.83 -1.06 115.15 117.77 3hl4 h HIS 184 Ca 0.35 -0.16 -0.08 0.00 -2.20 0.00 0.00 60.37 58.28 3hl4 h HIS 184 Cb 0.42 -0.21 -0.02 0.00 1.55 0.00 0.00 27.41 29.15 3hl4 h HIS 184 CO -0.13 0.84 0.01 0.82 -1.30 0.00 0.00 177.93 178.17 3hl4 h ILE 185 N 0.68 1.26 -0.01 6.26 1.08 -1.49 -1.02 117.51 124.28 3hl4 h ILE 185 Ca 0.11 -1.09 -0.00 0.00 -0.39 0.00 0.00 64.86 63.49 3hl4 h ILE 185 Cb 0.61 0.92 -0.00 0.00 -3.07 0.00 0.00 36.82 35.27 3hl4 h ILE 185 CO 0.04 0.39 0.00 0.11 -0.69 0.00 0.00 178.15 178.00 3hl4 h LYS 186 N 0.80 0.01 -0.83 2.37 1.57 -0.80 -2.11 116.57 117.58 3hl4 h LYS 186 Ca 0.15 -0.00 0.17 0.00 -1.87 0.00 0.00 60.65 59.10 3hl4 h LYS 186 Cb 0.52 -0.00 -0.11 0.00 0.08 0.00 0.00 32.23 32.72 3hl4 h LYS 186 CO 0.03 0.31 0.36 0.93 -0.57 0.00 0.00 179.45 180.51 3hl4 h GLU 187 N -0.29 0.44 0.00 3.15 5.08 -1.25 -1.33 114.58 120.38 3hl4 h GLU 187 Ca 0.00 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3hl4 h GLU 187 Cb 0.31 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.46 3hl4 h GLU 187 CO 0.00 0.29 0.00 0.00 -1.00 0.00 0.00 179.01 178.30 3hl4 n ALA 188 N -2.50 2.37 -0.79 3.43 0.00 -0.39 -4.87 120.51 117.77 3hl4 n ALA 188 Ca 0.18 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.48 3hl4 n ALA 188 Cb 0.52 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.57 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 0.61 0.55 0.78 0.00 0.00 -0.50 -4.95 105.19 101.68 3hl4 n GLY 189 Ca 0.17 -0.49 0.09 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.79 1.81 -3.25 1.61 2.81 -0.82 -4.92 117.12 111.57 3hl4 n MET 190 Ca 0.00 -1.77 -0.40 0.00 -1.81 0.00 0.00 57.70 53.72 3hl4 n MET 190 Cb 0.00 -1.36 -0.07 0.00 -0.71 0.00 0.00 33.22 31.08 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 -1.30 3.31 -0.39 2.03 5.36 -1.23 -0.56 117.98 125.20 3hl4 s PHE 191 Ca 0.25 0.68 -0.01 0.00 -0.96 0.00 0.00 56.93 56.89 3hl4 s PHE 191 Cb 0.16 -2.69 0.11 0.00 -0.34 0.00 0.00 43.02 40.26 3hl4 s PHE 191 CO 0.22 -0.20 0.16 0.00 -1.46 0.00 0.00 175.22 173.94 3hl4 s ALA 192 N 2.00 3.08 0.35 11.12 0.00 0.16 -4.94 121.76 133.54 3hl4 s ALA 192 Ca 0.22 -2.52 -0.28 0.00 0.00 0.00 0.00 51.96 49.37 3hl4 s ALA 192 Cb -0.15 -2.29 -0.11 0.00 0.00 0.00 0.00 23.12 20.57 3hl4 s ALA 192 CO 0.09 -1.76 1.38 -1.25 0.00 0.00 0.00 175.76 174.21 3hl4 s PRO 193 N 1.08 4.26 0.46 0.00 0.05 -1.26 -3.57 135.00 136.02 3hl4 s PRO 193 Ca 0.09 2.35 0.06 0.00 0.05 0.00 0.00 61.00 63.55 3hl4 s PRO 193 Cb -0.22 -3.03 -0.02 0.00 0.05 0.00 0.00 34.50 31.28 3hl4 s PRO 193 CO -0.05 -0.32 0.21 0.95 0.05 0.00 0.00 177.00 177.84 3hl4 s THR 194 N -1.12 1.97 -0.13 1.26 -4.23 0.04 -4.87 115.64 108.56 3hl4 s THR 194 Ca 0.50 -1.69 -0.04 0.00 -1.18 0.00 0.00 61.69 59.29 3hl4 s THR 194 Cb -0.42 -2.66 -0.03 0.00 1.34 0.00 0.00 72.50 70.72 3hl4 s THR 194 CO 0.57 0.00 0.00 -1.10 -0.54 0.00 0.00 174.62 173.55 3hl4 s GLN 195 N -3.99 3.40 0.45 3.99 -1.52 -1.26 -3.96 119.66 116.77 3hl4 s GLN 195 Ca 0.34 -0.42 -0.22 0.00 -1.95 0.00 0.00 55.36 53.11 3hl4 s GLN 195 Cb 0.02 -2.92 -0.08 0.00 -0.22 0.00 0.00 33.01 29.80 3hl4 s GLN 195 CO 0.19 0.48 1.06 1.03 -0.25 0.00 0.00 175.29 177.80 3hl4 s ARG 196 N -0.26 3.93 -0.31 2.91 0.52 -1.26 -4.67 118.95 119.80 3hl4 s ARG 196 Ca 0.06 1.47 -0.25 0.00 -0.52 0.00 0.00 55.73 56.49 3hl4 s ARG 196 Cb -0.12 -2.30 0.01 0.00 0.52 0.00 0.00 34.95 33.05 3hl4 s ARG 196 CO 0.02 -0.34 0.88 0.99 0.02 0.00 0.00 175.30 176.86 3hl4 s THR 197 N -1.80 4.70 0.62 0.02 2.01 -1.26 -5.04 115.64 114.89 3hl4 s THR 197 Ca 0.63 1.33 -0.18 0.00 0.31 0.00 0.00 61.69 63.79 3hl4 s THR 197 Cb -0.20 -4.23 -0.02 0.00 0.01 0.00 0.00 72.50 68.05 3hl4 s THR 197 CO 0.25 -0.33 1.17 -1.61 -0.69 0.00 0.00 174.62 173.41 3hl4 s GLU 198 N 3.18 2.87 0.00 4.92 2.02 -1.26 -3.95 118.70 126.48 3hl4 s GLU 198 Ca 0.36 1.69 0.00 0.00 0.02 0.00 0.00 54.97 57.04 3hl4 s GLU 198 Cb -0.13 -1.93 0.00 0.00 0.10 0.00 0.00 34.13 32.16 3hl4 s GLU 198 CO 0.14 -1.25 0.00 0.41 0.02 0.00 0.00 175.26 174.57 3hl4 n GLY 199 N 0.22 0.50 3.05 -1.39 0.00 -1.26 -4.99 105.19 101.32 3hl4 n GLY 199 Ca 0.13 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.03 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 -2.22 0.04 0.05 -0.61 2.07 -1.25 -5.07 121.20 114.21 3hl4 s ILE 200 Ca 0.00 -0.35 -0.28 0.00 -1.41 0.00 0.00 60.65 58.61 3hl4 s ILE 200 Cb 0.00 -0.29 0.09 0.00 0.13 0.00 0.00 42.46 42.39 3hl4 s ILE 200 CO 0.00 -0.19 1.05 -0.94 -1.91 0.00 0.00 174.94 172.95 3hl4 s SER 201 N -0.62 -0.18 0.13 4.50 1.04 -1.26 -4.88 113.70 112.43 3hl4 s SER 201 Ca -0.07 -0.23 -0.21 0.00 0.48 0.00 0.00 55.95 55.92 3hl4 s SER 201 Cb -0.04 0.36 -0.01 0.00 0.10 0.00 0.00 66.02 66.42 3hl4 s SER 201 CO 0.01 -0.64 1.68 0.74 0.98 0.00 0.00 173.24 176.00 3hl4 h THR 202 N 2.00 0.64 -0.32 2.02 2.02 -1.90 -1.00 112.91 116.38 3hl4 h THR 202 Ca -0.24 0.00 0.01 0.00 0.77 0.00 0.00 66.41 66.95 3hl4 h THR 202 Cb 1.22 0.64 -0.02 0.00 -1.74 0.00 0.00 68.15 68.26 3hl4 h THR 202 CO 0.27 0.00 0.20 0.28 0.37 0.00 0.00 175.52 176.64 3hl4 h SER 203 N -0.13 0.34 -0.91 4.18 0.02 -1.95 -0.96 113.55 114.14 3hl4 h SER 203 Ca 0.10 -0.00 0.09 0.00 -0.84 0.00 0.00 61.79 61.14 3hl4 h SER 203 Cb 0.28 -0.08 -0.07 0.00 0.14 0.00 0.00 62.40 62.67 3hl4 h SER 203 CO -0.25 0.25 0.56 -0.78 -1.14 0.00 0.00 176.83 175.47 3hl4 h ASP 204 N 0.42 0.83 -0.26 3.07 3.58 -1.87 -0.23 116.42 121.96 3hl4 h ASP 204 Ca 0.12 0.04 -0.06 0.00 0.42 0.00 0.00 57.03 57.55 3hl4 h ASP 204 Cb -0.03 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 40.89 3hl4 h ASP 204 CO -0.04 0.48 -0.08 0.40 -2.88 0.00 0.00 179.24 177.12 3hl4 h ILE 205 N 0.94 1.29 -0.53 2.25 2.04 -0.37 -0.82 117.51 122.31 3hl4 h ILE 205 Ca 0.43 -1.11 0.01 0.00 1.00 0.00 0.00 64.86 65.20 3hl4 h ILE 205 Cb 0.35 1.48 -0.03 0.00 -0.74 0.00 0.00 36.82 37.88 3hl4 h ILE 205 CO -0.23 0.35 0.33 0.40 0.00 0.00 0.00 178.15 179.00 3hl4 h ILE 206 N 0.24 1.10 -0.99 -0.67 2.04 -1.03 -1.94 117.51 116.26 3hl4 h ILE 206 Ca 0.06 -0.23 0.01 0.00 1.00 0.00 0.00 64.86 65.71 3hl4 h ILE 206 Cb 0.55 0.36 -0.05 0.00 -0.74 0.00 0.00 36.82 36.95 3hl4 h ILE 206 CO 0.03 0.12 0.66 0.74 0.00 0.00 0.00 178.15 179.70 3hl4 h THR 207 N 0.67 1.24 -0.49 -0.27 2.02 -0.91 0.41 112.91 115.59 3hl4 h THR 207 Ca 0.20 -0.46 -0.09 0.00 0.77 0.00 0.00 66.41 66.83 3hl4 h THR 207 Cb -0.03 -0.21 -0.02 0.00 -1.74 0.00 0.00 68.15 66.15 3hl4 h THR 207 CO -0.07 0.24 -0.07 0.03 0.37 0.00 0.00 175.52 176.02 3hl4 h ARG 208 N 1.34 0.87 -0.37 6.66 3.08 -0.70 -1.67 114.38 123.58 3hl4 h ARG 208 Ca 0.37 -0.28 -0.06 0.00 0.07 0.00 0.00 59.98 60.07 3hl4 h ARG 208 Cb -0.13 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 29.83 3hl4 h ARG 208 CO -0.09 0.91 -0.02 0.82 -1.07 0.00 0.00 179.97 180.52 3hl4 h ILE 209 N 0.79 1.26 -0.38 2.04 2.04 -0.77 0.68 117.51 123.17 3hl4 h ILE 209 Ca 0.14 -1.03 -0.14 0.00 1.00 0.00 0.00 64.86 64.83 3hl4 h ILE 209 Cb 0.58 1.20 -0.01 0.00 -0.74 0.00 0.00 36.82 37.85 3hl4 h ILE 209 CO 0.04 0.34 -0.29 -0.37 0.00 0.00 0.00 178.15 177.87 3hl4 h VAL 210 N 0.48 1.28 -0.82 1.67 -1.51 -0.91 -1.00 116.25 115.43 3hl4 h VAL 210 Ca 0.10 -1.45 0.13 0.00 -1.23 0.00 0.00 66.70 64.25 3hl4 h VAL 210 Cb 0.50 1.36 -0.09 0.00 -2.13 0.00 0.00 31.29 30.93 3hl4 h VAL 210 CO 0.02 0.48 0.42 0.03 -1.23 0.00 0.00 177.57 177.30 3hl4 h ARG 211 N 0.68 0.60 -0.25 5.19 3.08 -1.25 -0.42 114.38 122.02 3hl4 h ARG 211 Ca 0.07 -0.04 -0.07 0.00 0.07 0.00 0.00 59.98 60.02 3hl4 h ARG 211 Cb 0.87 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.78 3hl4 h ARG 211 CO 0.08 0.40 -0.11 -0.44 -1.07 0.00 0.00 179.97 178.82 3hl4 h ASP 212 N 0.62 0.54 -0.77 7.04 3.45 -0.50 -1.88 116.42 124.90 3hl4 h ASP 212 Ca 0.44 -0.40 0.06 0.00 0.43 0.00 0.00 57.03 57.56 3hl4 h ASP 212 Cb 0.59 -0.15 -0.06 0.00 -0.56 0.00 0.00 39.33 39.15 3hl4 h ASP 212 CO -0.34 0.82 0.46 0.22 -1.57 0.00 0.00 179.24 178.83 3hl4 h TYR 213 N 0.25 0.85 -0.31 4.55 3.20 -1.02 -3.22 116.97 121.26 3hl4 h TYR 213 Ca 0.06 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.92 3hl4 h TYR 213 Cb 0.61 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 38.61 3hl4 h TYR 213 CO 0.06 0.41 0.04 -0.44 -1.64 0.00 0.00 178.16 176.60 3hl4 h ASP 214 N 0.83 0.50 -0.03 -2.11 3.45 -0.72 -3.51 116.42 114.83 3hl4 h ASP 214 Ca 0.35 -0.27 0.00 0.00 0.43 0.00 0.00 57.03 57.54 3hl4 h ASP 214 Cb 0.20 -0.13 0.00 0.00 -0.56 0.00 0.00 39.33 38.84 3hl4 h ASP 214 CO -0.18 0.64 0.00 0.52 -1.57 0.00 0.00 179.24 178.64