#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hi6 s LYS 2 N 0.00 1.35 0.05 7.34 1.02 -1.26 -2.47 119.74 125.76 2hi6 s LYS 2 Ca 0.00 -0.64 0.03 0.00 0.02 0.00 0.00 55.97 55.38 2hi6 s LYS 2 Cb 0.00 -1.32 -0.02 0.00 -0.52 0.00 0.00 37.83 35.97 2hi6 s LYS 2 CO 0.00 0.36 -0.10 -0.06 -0.92 0.00 0.00 175.35 174.62 2hi6 s PHE 3 N -0.46 0.90 -0.18 3.18 0.08 -1.03 -5.05 117.98 115.42 2hi6 s PHE 3 Ca 0.06 -0.45 -0.10 0.00 0.12 0.00 0.00 56.93 56.56 2hi6 s PHE 3 Cb -0.07 -0.53 -0.05 0.00 -0.57 0.00 0.00 43.02 41.81 2hi6 s PHE 3 CO -0.00 -0.02 0.14 0.00 -0.10 0.00 0.00 175.22 175.24 2hi6 s ALA 4 N -1.23 3.72 0.38 5.36 0.00 -1.26 -1.94 121.76 126.79 2hi6 s ALA 4 Ca -0.06 -0.67 0.07 0.00 0.00 0.00 0.00 51.96 51.30 2hi6 s ALA 4 Cb -0.09 -2.15 -0.07 0.00 0.00 0.00 0.00 23.12 20.80 2hi6 s ALA 4 CO 0.01 0.23 0.00 0.00 0.00 0.00 0.00 175.76 176.01 2hi6 s ARG 6 N -3.74 4.01 -0.80 0.00 6.06 0.10 -4.45 118.95 120.13 2hi6 s ARG 6 Ca 0.35 0.13 -0.26 0.00 -2.50 0.00 0.00 55.73 53.45 2hi6 s ARG 6 Cb 0.08 -3.33 0.02 0.00 0.06 0.00 0.00 34.95 31.79 2hi6 s ARG 6 CO 0.17 0.46 1.49 0.00 -2.50 0.00 0.00 175.30 174.92 2hi6 s ALA 7 N -0.22 2.54 -0.15 6.12 0.00 -1.26 -1.15 121.76 127.62 2hi6 s ALA 7 Ca 0.18 -1.48 -0.26 0.00 0.00 0.00 0.00 51.96 50.40 2hi6 s ALA 7 Cb -0.14 -4.36 -0.25 0.00 0.00 0.00 0.00 23.12 18.37 2hi6 s ALA 7 CO 0.06 -3.62 0.62 0.82 0.00 0.00 0.00 175.76 173.65 2hi6 h ILE 8 N 6.49 1.52 -0.85 0.00 1.08 -1.78 -3.47 117.51 120.49 2hi6 h ILE 8 Ca -0.12 -2.32 -0.56 0.00 -0.39 0.00 0.00 64.86 61.47 2hi6 h ILE 8 Cb 1.06 3.05 -0.05 0.00 -3.07 0.00 0.00 36.82 37.81 2hi6 h ILE 8 CO 1.30 0.54 -0.32 -0.89 -0.69 0.00 0.00 178.15 178.09 2hi6 s THR 9 N -2.28 1.92 0.45 -0.27 2.01 -0.01 -4.96 115.64 112.50 2hi6 s THR 9 Ca -0.21 -1.46 0.03 0.00 0.31 0.00 0.00 61.69 60.36 2hi6 s THR 9 Cb -0.00 -2.38 -0.02 0.00 0.01 0.00 0.00 72.50 70.11 2hi6 s THR 9 CO 0.68 0.00 0.08 -0.13 -0.69 0.00 0.00 174.62 174.56 2hi6 s ARG 10 N -4.24 2.03 0.25 4.92 0.52 -1.26 -4.24 118.95 116.94 2hi6 s ARG 10 Ca 0.38 -2.26 0.00 0.00 -0.52 0.00 0.00 55.73 53.33 2hi6 s ARG 10 Cb -0.02 -0.96 0.00 0.00 0.52 0.00 0.00 34.95 34.49 2hi6 s ARG 10 CO 0.23 -0.43 0.00 0.41 0.02 0.00 0.00 175.30 175.53 2hi6 n GLY 11 N -1.04 -1.83 3.44 -3.53 0.00 -1.26 -4.54 105.19 96.43 2hi6 n GLY 11 Ca -0.11 -1.93 -0.16 0.00 0.00 0.00 0.00 46.02 43.83 2hi6 n GLY 11 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2hi6 s ARG 12 N 0.00 0.88 0.00 1.61 1.04 -1.26 -0.31 118.95 120.91 2hi6 s ARG 12 Ca 0.00 0.25 -0.14 0.00 -1.04 0.00 0.00 55.73 54.79 2hi6 s ARG 12 Cb 0.00 0.41 0.02 0.00 -2.04 0.00 0.00 34.95 33.34 2hi6 s ARG 12 CO 0.00 -0.24 0.31 0.00 -0.04 0.00 0.00 175.30 175.33 2hi6 s ALA 13 N -0.93 -0.75 -0.03 7.88 0.00 0.00 -4.97 121.76 122.96 2hi6 s ALA 13 Ca -0.10 0.22 -0.00 0.00 0.00 0.00 0.00 51.96 52.08 2hi6 s ALA 13 Cb -0.02 0.15 0.03 0.00 0.00 0.00 0.00 23.12 23.28 2hi6 s ALA 13 CO 0.07 -0.31 0.01 -1.83 0.00 0.00 0.00 175.76 173.69 2hi6 s GLU 14 N -1.72 0.29 0.23 0.00 -1.05 -1.26 -0.59 118.70 114.60 2hi6 s GLU 14 Ca -0.11 0.11 -0.22 0.00 -0.15 0.00 0.00 54.97 54.60 2hi6 s GLU 14 Cb -0.04 -0.53 0.05 0.00 -0.44 0.00 0.00 34.13 33.17 2hi6 s GLU 14 CO 0.02 -0.17 0.86 0.20 0.95 0.00 0.00 175.26 177.12 2hi6 s GLY 15 N 1.24 -0.06 0.08 -3.83 0.00 -1.06 -4.98 107.32 98.70 2hi6 s GLY 15 Ca -0.07 -0.19 -0.31 0.00 0.00 0.00 0.00 44.72 44.15 2hi6 s GLY 15 CO -0.02 0.19 1.36 -0.54 0.00 0.00 0.00 173.10 174.08 2hi6 s GLU 16 N -3.25 4.33 0.26 2.90 0.41 -1.26 -0.76 118.70 121.32 2hi6 s GLU 16 Ca 0.13 1.99 -0.27 0.00 -0.41 0.00 0.00 54.97 56.41 2hi6 s GLU 16 Cb -0.04 -3.34 -0.09 0.00 -1.78 0.00 0.00 34.13 28.88 2hi6 s GLU 16 CO 0.05 -0.44 0.91 0.00 -0.49 0.00 0.00 175.26 175.29 2hi6 s ALA 17 N 1.40 3.32 -0.22 5.21 0.00 0.14 -0.45 121.76 131.16 2hi6 s ALA 17 Ca 0.63 0.52 0.02 0.00 0.00 0.00 0.00 51.96 53.14 2hi6 s ALA 17 Cb -0.34 -3.14 0.04 0.00 0.00 0.00 0.00 23.12 19.68 2hi6 s ALA 17 CO 0.29 0.22 -0.13 -1.17 0.00 0.00 0.00 175.76 174.97 2hi6 s LEU 18 N -1.51 2.75 -0.38 0.00 0.20 0.10 -0.21 118.68 119.63 2hi6 s LEU 18 Ca 0.43 -1.05 -0.12 0.00 0.69 0.00 0.00 54.13 54.09 2hi6 s LEU 18 Cb -0.23 -1.44 0.02 0.00 -0.43 0.00 0.00 46.19 44.11 2hi6 s LEU 18 CO 0.28 -0.12 0.23 -0.69 -0.29 0.00 0.00 176.35 175.76 2hi6 s VAL 19 N 1.24 4.83 -0.33 1.68 1.01 -1.26 -3.21 120.40 124.35 2hi6 s VAL 19 Ca -0.03 -0.73 0.03 0.00 0.00 0.00 0.00 61.98 61.26 2hi6 s VAL 19 Cb -0.17 -3.67 0.16 0.00 0.00 0.00 0.00 36.38 32.71 2hi6 s VAL 19 CO -0.08 -0.22 0.44 0.28 0.00 0.00 0.00 175.10 175.51 2hi6 s THR 20 N 1.61 -0.61 0.00 3.92 -1.32 -1.26 -4.91 115.64 113.07 2hi6 s THR 20 Ca 0.03 -0.45 0.00 0.00 -1.21 0.00 0.00 61.69 60.07 2hi6 s THR 20 Cb -0.19 -0.74 0.00 0.00 -1.51 0.00 0.00 72.50 70.06 2hi6 s THR 20 CO 0.08 -0.32 0.54 2.29 -2.21 0.00 0.00 174.62 175.00 2hi6 n LYS 21 N 4.88 0.00 0.00 7.08 2.85 -1.26 -4.74 118.16 126.97 2hi6 n LYS 21 Ca 0.05 0.39 0.00 0.00 -1.05 0.00 0.00 58.31 57.70 2hi6 n LYS 21 Cb 0.49 -1.20 0.00 0.00 -0.65 0.00 0.00 35.03 33.68 2hi6 n LYS 21 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 2hi6 n GLU 22 N -1.67 0.00 -2.69 -1.58 4.71 -1.26 -4.52 120.64 113.63 2hi6 n GLU 22 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 57.16 57.11 2hi6 n GLU 22 Cb 0.00 0.00 0.12 0.00 -1.01 0.00 0.00 31.44 30.55 2hi6 n GLU 22 CO 0.00 0.00 0.00 2.48 0.09 0.00 0.00 177.13 179.70 2hi6 n TYR 23 N -0.39 -2.02 -1.37 -0.32 4.11 -1.26 -4.72 117.16 111.19 2hi6 n TYR 23 Ca 0.00 -1.85 -0.30 0.00 -0.00 0.00 0.00 57.90 55.75 2hi6 n TYR 23 Cb 0.00 1.46 0.22 0.00 -0.00 0.00 0.00 39.34 41.02 2hi6 n TYR 23 CO 0.00 0.00 0.00 0.96 -0.00 0.00 0.00 176.86 177.82 2hi6 s ILE 24 N -0.10 1.74 -0.11 -3.48 -4.36 -1.26 -3.97 121.20 109.67 2hi6 s ILE 24 Ca 0.16 0.00 -0.22 0.00 -0.26 0.00 0.00 60.65 60.33 2hi6 s ILE 24 Cb 0.42 -2.66 -0.03 0.00 1.25 0.00 0.00 42.46 41.43 2hi6 s ILE 24 CO -0.10 0.00 0.64 -0.55 0.24 0.00 0.00 174.94 175.17 2hi6 s SER 25 N -4.24 6.86 -0.96 4.36 0.15 -1.26 -1.00 113.70 117.61 2hi6 s SER 25 Ca 0.72 1.03 -0.22 0.00 0.70 0.00 0.00 55.95 58.18 2hi6 s SER 25 Cb -0.08 -2.37 0.07 0.00 -1.71 0.00 0.00 66.02 61.93 2hi6 s SER 25 CO 0.55 -0.13 1.33 0.12 1.20 0.00 0.00 173.24 176.31 2hi6 s PHE 26 N 1.02 2.68 0.00 3.44 5.36 0.83 -4.66 117.98 126.65 2hi6 s PHE 26 Ca 0.33 -0.92 0.00 0.00 -0.96 0.00 0.00 56.93 55.39 2hi6 s PHE 26 Cb -0.17 -4.56 0.00 0.00 -0.34 0.00 0.00 43.02 37.95 2hi6 s PHE 26 CO 0.15 -1.82 0.00 1.28 -1.46 0.00 0.00 175.22 173.37 2hi6 n LEU 27 N 8.24 0.00 -2.89 6.12 4.77 -1.26 -4.21 117.00 127.78 2hi6 n LEU 27 Ca 0.27 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 56.13 2hi6 n LEU 27 Cb 0.50 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.64 2hi6 n LEU 27 CO 0.62 -0.13 0.14 0.61 -1.33 0.00 0.00 177.39 177.30 2hi6 n GLY 28 N 3.19 1.71 0.67 -0.72 0.00 -1.26 -4.92 105.19 103.86 2hi6 n GLY 28 Ca 0.00 -0.62 0.03 0.00 0.00 0.00 0.00 46.02 45.43 2hi6 n GLY 28 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hi6 n GLY 29 N 0.27 1.08 2.94 -0.02 0.00 -1.26 -4.76 105.19 103.44 2hi6 n GLY 29 Ca 0.12 -0.25 -0.19 0.00 0.00 0.00 0.00 46.02 45.71 2hi6 n GLY 29 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2hi6 s ILE 30 N -1.59 0.56 0.25 -0.61 1.01 -1.26 0.16 121.20 119.72 2hi6 s ILE 30 Ca 0.15 -0.22 -0.30 0.00 0.00 0.00 0.00 60.65 60.28 2hi6 s ILE 30 Cb 0.10 -0.53 -0.10 0.00 0.01 0.00 0.00 42.46 41.94 2hi6 s ILE 30 CO 0.07 0.20 1.40 -0.62 0.00 0.00 0.00 174.94 175.98 2hi6 s ASP 31 N 0.40 6.71 0.00 3.58 -1.08 0.14 -4.87 116.67 121.55 2hi6 s ASP 31 Ca -0.05 2.63 0.29 0.00 -0.52 0.00 0.00 52.55 54.90 2hi6 s ASP 31 Cb -0.09 -2.62 1.32 0.00 -1.46 0.00 0.00 42.92 40.06 2hi6 s ASP 31 CO 0.00 -0.65 1.95 2.29 0.52 0.00 0.00 175.17 179.28 2hi6 n LYS 32 N 2.17 0.28 -0.01 4.34 2.85 -1.26 -1.45 118.16 125.07 2hi6 n LYS 32 Ca 0.06 -0.03 -0.01 0.00 -1.05 0.00 0.00 58.31 57.28 2hi6 n LYS 32 Cb 0.41 -1.50 -0.02 0.00 -0.65 0.00 0.00 35.03 33.27 2hi6 n LYS 32 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 2hi6 n GLU 33 N -1.34 3.46 0.00 -1.58 1.02 -1.26 -4.79 120.64 116.15 2hi6 n GLU 33 Ca 0.11 -0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.25 2hi6 n GLU 33 Cb 0.29 -1.06 0.00 0.00 -0.02 0.00 0.00 31.44 30.65 2hi6 n GLU 33 CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94 2hi6 n THR 34 N -2.11 0.00 -2.01 2.62 5.66 -1.25 -4.92 114.28 112.27 2hi6 n THR 34 Ca -0.04 -0.42 -0.10 0.00 -3.05 0.00 0.00 64.05 60.44 2hi6 n THR 34 Cb 0.58 1.08 -0.01 0.00 -1.55 0.00 0.00 70.33 70.43 2hi6 n THR 34 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2hi6 n GLY 35 N 0.41 0.20 3.71 1.09 0.00 -0.53 -4.79 105.19 105.28 2hi6 n GLY 35 Ca 0.00 -0.48 -0.39 0.00 0.00 0.00 0.00 46.02 45.14 2hi6 n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2hi6 s ILE 36 N -2.48 5.07 0.15 -0.61 -1.09 -1.26 -1.36 121.20 119.62 2hi6 s ILE 36 Ca 0.00 1.31 -0.31 0.00 -2.23 0.00 0.00 60.65 59.42 2hi6 s ILE 36 Cb 0.00 -3.98 -0.10 0.00 -1.58 0.00 0.00 42.46 36.80 2hi6 s ILE 36 CO 0.00 0.25 1.61 -0.69 -1.23 0.00 0.00 174.94 174.88 2hi6 s VAL 37 N 0.89 2.66 -0.10 2.92 1.01 -1.10 0.28 120.40 126.96 2hi6 s VAL 37 Ca 0.34 0.40 -0.11 0.00 0.00 0.00 0.00 61.98 62.61 2hi6 s VAL 37 Cb -0.17 -3.26 -0.28 0.00 0.00 0.00 0.00 36.38 32.68 2hi6 s VAL 37 CO 0.15 0.02 0.50 0.11 0.00 0.00 0.00 175.10 175.89 2hi6 h LYS 38 N 7.22 0.29 -5.57 2.72 1.79 -0.59 -3.38 116.57 119.06 2hi6 h LYS 38 Ca -0.43 -0.50 -0.60 0.00 -2.18 0.00 0.00 60.65 56.94 2hi6 h LYS 38 Cb 1.20 0.18 -0.11 0.00 -1.58 0.00 0.00 32.23 31.93 2hi6 h LYS 38 CO 0.92 1.24 0.10 -2.00 -1.08 0.00 0.00 179.45 178.63 2hi6 s GLU 39 N -2.54 4.16 0.14 3.15 2.56 -1.24 -5.03 118.70 119.90 2hi6 s GLU 39 Ca -0.20 0.54 -0.30 0.00 0.00 0.00 0.00 54.97 55.01 2hi6 s GLU 39 Cb 0.06 -3.60 -0.07 0.00 2.00 0.00 0.00 34.13 32.51 2hi6 s GLU 39 CO 0.79 -0.29 1.16 0.34 -0.56 0.00 0.00 175.26 176.70 2hi6 s ASP 40 N 1.31 7.15 0.00 -1.70 2.15 -1.26 -4.88 116.67 119.44 2hi6 s ASP 40 Ca 0.27 2.10 0.00 0.00 0.43 0.00 0.00 52.55 55.34 2hi6 s ASP 40 Cb -0.16 -2.60 0.00 0.00 -0.30 0.00 0.00 42.92 39.87 2hi6 s ASP 40 CO 0.09 -0.35 0.00 0.00 -0.17 0.00 0.00 175.17 174.75 2hi6 n GLU 42 N -1.67 0.00 -3.36 0.00 0.00 -1.26 -5.01 120.64 109.34 2hi6 n GLU 42 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 57.16 56.85 2hi6 n GLU 42 Cb 0.34 0.00 -0.06 0.00 0.00 0.00 0.00 31.44 31.72 2hi6 n GLU 42 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.13 177.57 2hi6 n ILE 43 N 0.00 3.08 -3.53 6.31 -5.35 -1.26 -5.06 119.36 113.55 2hi6 n ILE 43 Ca 0.00 -5.38 -0.37 0.00 -0.27 0.00 0.00 62.75 56.73 2hi6 n ILE 43 Cb 0.00 -2.11 -0.06 0.00 -1.74 0.00 0.00 39.64 35.73 2hi6 n ILE 43 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 2hi6 s LYS 44 N -2.46 3.87 0.00 6.28 2.36 -1.26 -4.58 119.74 123.95 2hi6 s LYS 44 Ca 0.37 0.35 0.00 0.00 -2.55 0.00 0.00 55.97 54.14 2hi6 s LYS 44 Cb 0.11 -3.18 0.00 0.00 -1.05 0.00 0.00 37.83 33.70 2hi6 s LYS 44 CO 0.00 0.68 0.00 0.41 1.55 0.00 0.00 175.35 177.99 2hi6 n GLY 45 N 1.69 0.42 3.95 5.54 0.00 -1.26 -5.06 105.19 110.47 2hi6 n GLY 45 Ca -0.13 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.68 2hi6 n GLY 45 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2hi6 s GLU 46 N 0.00 2.53 -0.03 1.61 2.02 -1.26 -4.85 118.70 118.72 2hi6 s GLU 46 Ca 0.00 -1.54 -0.15 0.00 0.02 0.00 0.00 54.97 53.29 2hi6 s GLU 46 Cb 0.00 -2.50 -0.05 0.00 0.10 0.00 0.00 34.13 31.67 2hi6 s GLU 46 CO 0.00 -0.42 0.41 -1.12 0.02 0.00 0.00 175.26 174.15 2hi6 s SER 47 N -4.33 6.76 0.00 -0.19 0.01 -1.26 -2.71 113.70 111.99 2hi6 s SER 47 Ca 0.51 0.90 0.23 0.00 1.31 0.00 0.00 55.95 58.90 2hi6 s SER 47 Cb -0.05 -2.25 0.30 0.00 0.21 0.00 0.00 66.02 64.23 2hi6 s SER 47 CO 0.31 0.26 1.31 1.33 0.41 0.00 0.00 173.24 176.86 2hi6 n VAL 48 N 2.24 0.27 -1.82 3.43 0.24 -0.47 -4.84 118.33 117.38 2hi6 n VAL 48 Ca -0.13 -0.63 -0.28 0.00 -2.04 0.00 0.00 64.34 61.25 2hi6 n VAL 48 Cb 0.52 1.22 -0.05 0.00 -1.47 0.00 0.00 33.84 34.06 2hi6 n VAL 48 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2hi6 s ALA 49 N -1.68 1.54 0.00 2.33 0.00 -1.25 -1.46 121.76 121.24 2hi6 s ALA 49 Ca 0.33 -0.78 0.00 0.00 0.00 0.00 0.00 51.96 51.50 2hi6 s ALA 49 Cb 0.21 -4.45 0.00 0.00 0.00 0.00 0.00 23.12 18.88 2hi6 s ALA 49 CO 0.30 -4.78 0.00 0.41 0.00 0.00 0.00 175.76 171.69 2hi6 n GLY 50 N 6.36 0.93 3.88 0.00 0.00 -0.99 -4.93 105.19 110.45 2hi6 n GLY 50 Ca 0.36 -0.06 -0.21 0.00 0.00 0.00 0.00 46.02 46.12 2hi6 n GLY 50 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2hi6 s ARG 51 N -0.62 2.83 -0.40 1.61 0.52 -0.54 -4.42 118.95 117.94 2hi6 s ARG 51 Ca 0.00 -1.21 -0.17 0.00 -0.52 0.00 0.00 55.73 53.82 2hi6 s ARG 51 Cb 0.00 -2.56 0.01 0.00 0.52 0.00 0.00 34.95 32.92 2hi6 s ARG 51 CO 0.00 0.10 0.46 0.42 0.02 0.00 0.00 175.30 176.30 2hi6 s ILE 52 N -2.26 5.06 -0.22 1.52 -1.09 0.41 -0.15 121.20 124.47 2hi6 s ILE 52 Ca 0.41 -0.16 -0.09 0.00 -2.23 0.00 0.00 60.65 58.58 2hi6 s ILE 52 Cb -0.07 -4.01 -0.05 0.00 -1.58 0.00 0.00 42.46 36.75 2hi6 s ILE 52 CO 0.28 -0.36 0.12 -0.22 -1.23 0.00 0.00 174.94 173.52 2hi6 s LEU 53 N 2.22 3.96 -0.14 2.97 2.96 -0.08 0.02 118.68 130.58 2hi6 s LEU 53 Ca 0.14 0.07 -0.01 0.00 -0.22 0.00 0.00 54.13 54.11 2hi6 s LEU 53 Cb -0.16 -2.05 -0.01 0.00 0.50 0.00 0.00 46.19 44.47 2hi6 s LEU 53 CO 0.14 0.09 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.45 2hi6 s VAL 54 N 0.92 3.10 0.03 1.68 1.01 -1.20 -1.97 120.40 123.99 2hi6 s VAL 54 Ca 0.06 -0.64 0.04 0.00 0.00 0.00 0.00 61.98 61.45 2hi6 s VAL 54 Cb -0.13 -2.32 -0.02 0.00 0.00 0.00 0.00 36.38 33.91 2hi6 s VAL 54 CO 0.03 0.51 -0.12 -0.36 0.00 0.00 0.00 175.10 175.17 2hi6 s PHE 55 N 0.50 1.02 -0.10 5.22 0.08 -1.07 -4.16 117.98 119.47 2hi6 s PHE 55 Ca -0.08 -0.35 -0.27 0.00 0.12 0.00 0.00 56.93 56.34 2hi6 s PHE 55 Cb -0.16 -0.61 -0.24 0.00 -0.57 0.00 0.00 43.02 41.45 2hi6 s PHE 55 CO 0.04 0.01 0.90 -1.00 -0.10 0.00 0.00 175.22 175.07 2hi6 h PRO 56 N 4.98 -0.01 0.00 0.24 0.13 -1.86 -3.34 132.00 132.14 2hi6 h PRO 56 Ca -0.36 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 2hi6 h PRO 56 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2hi6 h PRO 56 CO 0.44 0.81 0.00 0.41 -0.23 0.00 0.00 178.00 179.43 2hi6 n GLY 57 N 1.18 -0.56 0.00 1.56 0.00 -1.25 -2.44 105.19 103.67 2hi6 n GLY 57 Ca -0.09 0.52 0.00 0.00 0.00 0.00 0.00 46.02 46.44 2hi6 n GLY 57 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hi6 n GLY 58 N 0.00 1.42 3.54 -0.02 0.00 -1.26 -4.95 105.19 103.92 2hi6 n GLY 58 Ca 0.00 -1.37 -0.42 0.00 0.00 0.00 0.00 46.02 44.23 2hi6 n GLY 58 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hi6 s LYS 59 N 3.20 3.48 0.12 1.61 1.02 -0.17 -4.95 119.74 124.04 2hi6 s LYS 59 Ca 0.00 -0.31 -0.16 0.00 0.02 0.00 0.00 55.97 55.52 2hi6 s LYS 59 Cb 0.00 -3.86 -0.03 0.00 -0.52 0.00 0.00 37.83 33.42 2hi6 s LYS 59 CO 0.00 -0.72 1.57 0.78 -0.92 0.00 0.00 175.35 176.06 2hi6 h GLY 60 N 9.15 0.69 -1.82 -3.33 0.00 -1.90 0.24 103.07 106.10 2hi6 h GLY 60 Ca -0.27 -0.49 -0.37 0.00 0.00 0.00 0.00 47.33 46.19 2hi6 h GLY 60 CO 0.79 0.45 -0.38 1.44 0.00 0.00 0.00 176.54 178.84 2hi6 n SER 61 N -4.51 -4.98 -2.36 0.19 7.64 -1.26 -1.97 113.62 106.36 2hi6 n SER 61 Ca -0.01 0.32 -0.20 0.00 1.01 0.00 0.00 58.87 59.98 2hi6 n SER 61 Cb 0.26 -4.36 -0.01 0.00 -1.01 0.00 0.00 64.21 59.09 2hi6 n SER 61 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2hi6 n THR 62 N -2.74 -1.05 -4.35 0.44 -1.04 -1.26 -4.98 114.28 99.30 2hi6 n THR 62 Ca -0.19 0.00 -0.26 0.00 -2.04 0.00 0.00 64.05 61.55 2hi6 n THR 62 Cb 0.62 -2.95 -0.13 0.00 -1.82 0.00 0.00 70.33 66.06 2hi6 n THR 62 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2hi6 s VAL 63 N -3.02 1.96 0.00 12.58 1.01 -0.83 -4.89 120.40 127.21 2hi6 s VAL 63 Ca 0.03 -1.63 0.00 0.00 0.00 0.00 0.00 61.98 60.38 2hi6 s VAL 63 Cb -0.01 -1.76 0.00 0.00 0.00 0.00 0.00 36.38 34.61 2hi6 s VAL 63 CO 0.03 0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.76 2hi6 n GLY 64 N 1.04 2.55 3.77 4.51 0.00 -1.26 -4.35 105.19 111.45 2hi6 n GLY 64 Ca -0.19 -0.30 -0.39 0.00 0.00 0.00 0.00 46.02 45.14 2hi6 n GLY 64 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2hi6 s SER 65 N 0.00 6.72 0.00 1.61 1.04 -1.19 -3.39 113.70 118.50 2hi6 s SER 65 Ca 0.00 2.39 0.00 0.00 0.48 0.00 0.00 55.95 58.82 2hi6 s SER 65 Cb 0.00 -2.62 0.00 0.00 0.10 0.00 0.00 66.02 63.50 2hi6 s SER 65 CO 0.00 -0.54 0.00 -1.22 0.98 0.00 0.00 173.24 172.46 2hi6 n TYR 66 N 0.43 0.00 -0.33 5.02 4.01 -1.26 -4.53 117.16 120.50 2hi6 n TYR 66 Ca 0.02 0.00 0.01 0.00 -0.16 0.00 0.00 57.90 57.77 2hi6 n TYR 66 Cb 0.45 0.00 0.18 0.00 -0.31 0.00 0.00 39.34 39.67 2hi6 n TYR 66 CO 0.00 0.00 0.00 -0.39 -0.46 0.00 0.00 176.86 176.01 2hi6 h VAL 67 N 0.00 1.16 -0.33 -0.72 -1.51 -1.95 -1.08 116.25 111.81 2hi6 h VAL 67 Ca 0.00 -0.40 -0.07 0.00 -1.23 0.00 0.00 66.70 65.00 2hi6 h VAL 67 Cb 0.00 -0.12 -0.02 0.00 -2.13 0.00 0.00 31.29 29.03 2hi6 h VAL 67 CO 0.00 0.21 -0.07 -0.07 -1.23 0.00 0.00 177.57 176.41 2hi6 h LEU 68 N 1.18 0.52 -0.36 4.19 3.38 -1.79 -2.11 115.31 120.31 2hi6 h LEU 68 Ca 0.37 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 58.18 2hi6 h LEU 68 Cb 0.01 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 2hi6 h LEU 68 CO -0.11 0.64 0.07 0.25 0.09 0.00 0.00 178.44 179.38 2hi6 h LEU 69 N 0.51 0.57 -0.63 1.67 5.85 -1.44 0.16 115.31 122.00 2hi6 h LEU 69 Ca 0.10 -0.25 -0.05 0.00 0.84 0.00 0.00 57.88 58.51 2hi6 h LEU 69 Cb 0.44 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.29 2hi6 h LEU 69 CO 0.02 0.68 0.18 -1.13 -0.34 0.00 0.00 178.44 177.85 2hi6 h ASN 70 N 0.44 0.93 -0.44 1.25 -1.24 -1.20 0.63 115.58 115.94 2hi6 h ASN 70 Ca 0.11 -0.22 -0.10 0.00 0.71 0.00 0.00 56.30 56.80 2hi6 h ASN 70 Cb 0.35 -0.24 -0.02 0.00 0.73 0.00 0.00 38.32 39.13 2hi6 h ASN 70 CO 0.01 0.91 -0.09 -0.07 -1.29 0.00 0.00 177.43 176.90 2hi6 h LEU 71 N 0.91 0.89 -0.27 0.34 3.38 -1.23 -2.52 115.31 116.81 2hi6 h LEU 71 Ca 0.20 -0.27 -0.20 0.00 0.09 0.00 0.00 57.88 57.70 2hi6 h LEU 71 Cb 0.32 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.83 2hi6 h LEU 71 CO -0.00 1.00 -0.63 -0.09 0.09 0.00 0.00 178.44 178.81 2hi6 h ARG 72 N 0.81 0.82 -0.07 1.13 1.12 -0.58 0.28 114.38 117.90 2hi6 h ARG 72 Ca 0.14 -0.57 -0.05 0.00 -1.11 0.00 0.00 59.98 58.39 2hi6 h ARG 72 Cb 0.60 0.09 -0.01 0.00 -0.01 0.00 0.00 29.97 30.64 2hi6 h ARG 72 CO 0.04 1.19 -0.17 -0.22 -3.11 0.00 0.00 179.97 177.70 2hi6 h LYS 73 N 0.60 0.11 0.00 0.20 3.64 -0.82 -1.56 116.57 118.75 2hi6 h LYS 73 Ca -0.01 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.27 2hi6 h LYS 73 Cb 1.24 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 33.03 2hi6 h LYS 73 CO 0.13 0.28 -0.73 -0.97 -2.27 0.00 0.00 179.45 175.89 2hi6 h ASN 74 N 0.10 0.00 0.00 4.20 -1.24 -1.24 -3.48 115.58 113.92 2hi6 h ASN 74 Ca 0.02 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.03 2hi6 h ASN 74 Cb 0.36 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.41 2hi6 h ASN 74 CO 0.02 0.29 0.00 0.61 -1.29 0.00 0.00 177.43 177.06 2hi6 n GLY 75 N 1.23 0.75 0.56 1.57 0.00 -0.06 -4.95 105.19 104.29 2hi6 n GLY 75 Ca -0.01 -0.64 0.07 0.00 0.00 0.00 0.00 46.02 45.44 2hi6 n GLY 75 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2hi6 n VAL 76 N -2.72 0.00 -2.63 1.61 0.24 -0.35 -4.63 118.33 109.85 2hi6 n VAL 76 Ca 0.00 -0.49 -0.26 0.00 -2.04 0.00 0.00 64.34 61.55 2hi6 n VAL 76 Cb 0.12 1.29 0.01 0.00 -1.47 0.00 0.00 33.84 33.79 2hi6 n VAL 76 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2hi6 s ALA 77 N -1.22 3.43 0.58 2.33 0.00 -1.13 -3.91 121.76 121.85 2hi6 s ALA 77 Ca 0.16 -0.69 -0.20 0.00 0.00 0.00 0.00 51.96 51.24 2hi6 s ALA 77 Cb 0.12 -2.50 -0.04 0.00 0.00 0.00 0.00 23.12 20.70 2hi6 s ALA 77 CO 0.19 -0.52 1.28 -2.30 0.00 0.00 0.00 175.76 174.41 2hi6 n PRO 78 N -2.34 1.40 0.17 0.00 -0.02 -1.21 -2.34 135.00 130.67 2hi6 n PRO 78 Ca 0.02 0.53 0.05 0.00 -2.02 0.00 0.00 63.50 62.07 2hi6 n PRO 78 Cb 0.57 -2.50 0.27 0.00 -0.02 0.00 0.00 33.50 31.82 2hi6 n PRO 78 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 2hi6 h LYS 79 N 1.03 0.00 -1.68 -0.52 3.64 -0.70 -3.44 116.57 114.90 2hi6 h LYS 79 Ca -0.50 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 58.92 2hi6 h LYS 79 Cb 1.32 0.00 -0.22 0.00 -0.41 0.00 0.00 32.23 32.93 2hi6 h LYS 79 CO 0.55 0.42 0.46 0.00 -2.27 0.00 0.00 179.45 178.61 2hi6 s ALA 80 N -3.47 -1.89 -0.11 5.00 0.00 -1.23 -4.44 121.76 115.62 2hi6 s ALA 80 Ca 0.01 1.51 0.01 0.00 0.00 0.00 0.00 51.96 53.49 2hi6 s ALA 80 Cb 0.10 -0.52 0.02 0.00 0.00 0.00 0.00 23.12 22.72 2hi6 s ALA 80 CO 0.70 -0.33 -0.13 0.96 0.00 0.00 0.00 175.76 176.97 2hi6 s ILE 81 N -1.17 1.34 -0.22 0.00 -4.36 -1.23 -0.90 121.20 114.66 2hi6 s ILE 81 Ca -0.04 -0.52 -0.04 0.00 -0.26 0.00 0.00 60.65 59.79 2hi6 s ILE 81 Cb -0.00 -1.26 -0.01 0.00 1.25 0.00 0.00 42.46 42.43 2hi6 s ILE 81 CO 0.03 0.41 -0.03 -0.63 0.24 0.00 0.00 174.94 174.97 2hi6 s ILE 82 N 1.25 3.52 0.27 8.37 -1.09 -0.83 -3.63 121.20 129.06 2hi6 s ILE 82 Ca -0.02 -0.44 0.04 0.00 -2.23 0.00 0.00 60.65 58.00 2hi6 s ILE 82 Cb -0.14 -2.61 -0.06 0.00 -1.58 0.00 0.00 42.46 38.08 2hi6 s ILE 82 CO -0.05 0.42 0.02 0.20 -1.23 0.00 0.00 174.94 174.29 2hi6 s ASN 83 N 1.44 2.03 -0.19 3.58 0.02 -0.97 -2.59 114.94 118.25 2hi6 s ASN 83 Ca 0.05 -1.28 0.03 0.00 -1.02 0.00 0.00 52.86 50.65 2hi6 s ASN 83 Cb -0.14 -0.02 -0.14 0.00 0.02 0.00 0.00 41.25 40.97 2hi6 s ASN 83 CO -0.02 -0.54 -0.15 1.17 0.02 0.00 0.00 177.10 177.58 2hi6 n LYS 84 N -0.52 0.61 -3.83 -0.60 4.81 -1.25 -1.07 118.16 116.32 2hi6 n LYS 84 Ca -0.04 0.10 -0.30 0.00 -0.87 0.00 0.00 58.31 57.20 2hi6 n LYS 84 Cb 0.65 -1.40 -0.15 0.00 0.02 0.00 0.00 35.03 34.15 2hi6 n LYS 84 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 2hi6 s LYS 85 N -2.40 1.06 0.21 1.64 2.20 -1.02 -4.76 119.74 116.67 2hi6 s LYS 85 Ca -0.25 -1.13 0.08 0.00 -0.36 0.00 0.00 55.97 54.32 2hi6 s LYS 85 Cb 0.07 -2.37 -0.04 0.00 -1.51 0.00 0.00 37.83 33.98 2hi6 s LYS 85 CO 0.48 -0.85 -0.01 -0.08 -0.36 0.00 0.00 175.35 174.53 2hi6 s THR 86 N 1.46 3.57 0.36 3.43 -1.32 -1.26 -3.94 115.64 117.93 2hi6 s THR 86 Ca 0.05 -1.64 -0.25 0.00 -1.21 0.00 0.00 61.69 58.65 2hi6 s THR 86 Cb -0.18 -2.84 -0.10 0.00 -1.51 0.00 0.00 72.50 67.87 2hi6 s THR 86 CO -0.16 -0.22 0.96 -0.70 -2.21 0.00 0.00 174.62 172.29 2hi6 s GLU 87 N -3.23 4.45 0.42 7.08 2.56 -1.26 -4.89 118.70 123.83 2hi6 s GLU 87 Ca 0.29 1.30 0.12 0.00 0.00 0.00 0.00 54.97 56.68 2hi6 s GLU 87 Cb -0.08 -2.62 0.98 0.00 2.00 0.00 0.00 34.13 34.41 2hi6 s GLU 87 CO 0.19 0.16 1.99 1.15 -0.56 0.00 0.00 175.26 178.18 2hi6 h THR 88 N 2.39 0.93 -0.64 -1.70 2.02 -1.99 0.32 112.91 114.24 2hi6 h THR 88 Ca -0.47 -0.16 -0.06 0.00 0.77 0.00 0.00 66.41 66.49 2hi6 h THR 88 Cb 1.19 0.43 -0.03 0.00 -1.74 0.00 0.00 68.15 68.00 2hi6 h THR 88 CO 0.64 0.08 0.17 0.40 0.37 0.00 0.00 175.52 177.18 2hi6 h ILE 89 N 0.46 1.25 -0.20 3.11 2.04 -1.91 -2.33 117.51 119.94 2hi6 h ILE 89 Ca 0.27 -0.92 -0.15 0.00 1.00 0.00 0.00 64.86 65.06 2hi6 h ILE 89 Cb 0.44 0.62 0.00 0.00 -0.74 0.00 0.00 36.82 37.15 2hi6 h ILE 89 CO -0.08 0.35 -0.48 0.40 0.00 0.00 0.00 178.15 178.35 2hi6 h ILE 90 N 0.95 1.32 -0.41 -0.67 2.04 -1.22 -2.01 117.51 117.50 2hi6 h ILE 90 Ca 0.20 -1.70 0.05 0.00 1.00 0.00 0.00 64.86 64.41 2hi6 h ILE 90 Cb 0.34 1.86 -0.04 0.00 -0.74 0.00 0.00 36.82 38.24 2hi6 h ILE 90 CO 0.00 0.53 0.16 0.00 0.00 0.00 0.00 178.15 178.84 2hi6 h ALA 91 N 0.60 0.49 -0.38 1.87 0.00 -0.94 0.26 119.26 121.16 2hi6 h ALA 91 Ca -0.00 0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 2hi6 h ALA 91 Cb 1.09 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 2hi6 h ALA 91 CO 0.10 -0.23 -0.17 0.28 0.00 0.00 0.00 179.25 179.24 2hi6 h VAL 92 N 0.33 1.28 -0.86 0.00 2.07 -1.45 -2.02 116.25 115.60 2hi6 h VAL 92 Ca 0.19 -1.29 -0.01 0.00 0.82 0.00 0.00 66.70 66.41 2hi6 h VAL 92 Cb 0.16 1.31 -0.04 0.00 -1.52 0.00 0.00 31.29 31.20 2hi6 h VAL 92 CO -0.18 0.43 0.51 1.23 0.02 0.00 0.00 177.57 179.58 2hi6 h GLY 93 N 0.58 1.25 1.08 2.17 0.00 -0.82 -0.89 103.07 106.44 2hi6 h GLY 93 Ca 0.09 -0.52 -0.09 0.00 0.00 0.00 0.00 47.33 46.81 2hi6 h GLY 93 CO 0.05 0.51 0.07 0.00 0.00 0.00 0.00 176.54 177.17 2hi6 h ALA 94 N 1.28 0.87 -0.56 3.60 0.00 -0.43 -1.68 119.26 122.35 2hi6 h ALA 94 Ca 0.31 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 2hi6 h ALA 94 Cb -0.04 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 2hi6 h ALA 94 CO -0.06 0.67 0.15 0.00 0.00 0.00 0.00 179.25 180.01 2hi6 h ALA 95 N 1.03 1.21 -0.37 0.00 0.00 -0.81 0.26 119.26 120.58 2hi6 h ALA 95 Ca 0.19 -0.20 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 2hi6 h ALA 95 Cb 0.49 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2hi6 h ALA 95 CO 0.02 0.55 -0.28 0.52 0.00 0.00 0.00 179.25 180.06 2hi6 h MET 96 N 0.82 0.78 -0.01 0.00 2.86 -0.91 -3.04 114.93 115.43 2hi6 h MET 96 Ca 0.18 -0.34 0.00 0.00 -2.06 0.00 0.00 59.70 57.48 2hi6 h MET 96 Cb 0.28 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.92 2hi6 h MET 96 CO -0.00 0.96 -0.04 0.00 1.06 0.00 0.00 176.91 178.89 2hi6 n ALA 97 N -2.51 2.68 -3.32 6.32 0.00 -0.65 -4.91 120.51 118.11 2hi6 n ALA 97 Ca -0.01 -0.34 -0.17 0.00 0.00 0.00 0.00 53.44 52.93 2hi6 n ALA 97 Cb 0.47 -1.30 0.08 0.00 0.00 0.00 0.00 19.45 18.70 2hi6 n ALA 97 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2hi6 n GLU 98 N -0.44 -6.17 -3.56 0.00 1.02 -0.48 -4.88 120.64 106.12 2hi6 n GLU 98 Ca 0.19 0.75 -0.41 0.00 -0.02 0.00 0.00 57.16 57.67 2hi6 n GLU 98 Cb 0.27 -5.48 -0.06 0.00 -0.02 0.00 0.00 31.44 26.15 2hi6 n GLU 98 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2hi6 s ILE 99 N -3.31 4.50 -0.83 -3.67 -1.09 0.79 -5.01 121.20 112.58 2hi6 s ILE 99 Ca 0.14 -2.74 -0.24 0.00 -2.23 0.00 0.00 60.65 55.58 2hi6 s ILE 99 Cb -0.06 -3.85 -0.19 0.00 -1.58 0.00 0.00 42.46 36.77 2hi6 s ILE 99 CO 0.64 -0.94 2.47 -0.81 -1.23 0.00 0.00 174.94 175.08 2hi6 n PRO 100 N 3.71 0.37 -3.80 2.79 -0.04 -1.26 -4.48 135.00 132.29 2hi6 n PRO 100 Ca 0.10 -0.13 -0.36 0.00 -0.04 0.00 0.00 63.50 63.07 2hi6 n PRO 100 Cb 0.41 -2.27 -0.10 0.00 -0.04 0.00 0.00 33.50 31.51 2hi6 n PRO 100 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2hi6 s LEU 101 N 8.98 3.90 0.09 1.53 0.20 -1.26 -3.47 118.68 128.65 2hi6 s LEU 101 Ca 1.18 0.05 0.07 0.00 0.69 0.00 0.00 54.13 56.12 2hi6 s LEU 101 Cb -0.71 -2.03 -0.03 0.00 -0.43 0.00 0.00 46.19 42.99 2hi6 s LEU 101 CO 0.38 0.09 -0.18 0.68 -0.29 0.00 0.00 176.35 177.03 2hi6 s VAL 102 N 0.90 1.43 -0.35 1.68 -7.23 -1.24 -0.83 120.40 114.76 2hi6 s VAL 102 Ca 0.06 -1.43 -0.15 0.00 -1.81 0.00 0.00 61.98 58.65 2hi6 s VAL 102 Cb -0.13 -1.33 -0.01 0.00 0.56 0.00 0.00 36.38 35.47 2hi6 s VAL 102 CO 0.03 -0.14 0.34 -0.70 -0.31 0.00 0.00 175.10 174.32 2hi6 s GLU 103 N -1.83 3.51 0.18 4.82 -6.30 -0.30 -2.29 118.70 116.48 2hi6 s GLU 103 Ca 0.02 -0.50 -0.30 0.00 -2.50 0.00 0.00 54.97 51.70 2hi6 s GLU 103 Cb -0.10 -3.82 -0.08 0.00 0.00 0.00 0.00 34.13 30.13 2hi6 s GLU 103 CO 0.03 -0.53 1.25 0.14 0.02 0.00 0.00 175.26 176.17 2hi6 s VAL 104 N 1.95 3.47 0.01 3.70 -7.23 -0.23 0.03 120.40 122.10 2hi6 s VAL 104 Ca 0.10 1.20 0.01 0.00 -1.81 0.00 0.00 61.98 61.49 2hi6 s VAL 104 Cb -0.17 -3.77 -0.26 0.00 0.56 0.00 0.00 36.38 32.75 2hi6 s VAL 104 CO 0.11 0.17 0.87 -0.09 -0.31 0.00 0.00 175.10 175.86 2hi6 h ARG 105 N 5.50 0.16 -6.26 4.82 1.12 -1.86 -3.44 114.38 114.43 2hi6 h ARG 105 Ca -0.44 -0.28 -0.69 0.00 -1.11 0.00 0.00 59.98 57.46 2hi6 h ARG 105 Cb 1.21 0.10 -0.21 0.00 -0.01 0.00 0.00 29.97 31.07 2hi6 h ARG 105 CO 0.77 0.98 -0.74 0.34 -3.11 0.00 0.00 179.97 178.21 2hi6 s ASP 106 N -6.77 4.31 0.52 -3.80 -1.08 -1.26 -4.99 116.67 103.59 2hi6 s ASP 106 Ca -0.07 -0.13 0.31 0.00 -0.52 0.00 0.00 52.55 52.14 2hi6 s ASP 106 Cb 0.08 -0.98 1.20 0.00 -1.46 0.00 0.00 42.92 41.75 2hi6 s ASP 106 CO 0.84 0.35 1.92 -0.08 0.52 0.00 0.00 175.17 178.72 2hi6 h GLU 107 N 5.24 0.00 -0.10 4.34 4.81 -2.01 -2.98 114.58 123.87 2hi6 h GLU 107 Ca -0.48 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 58.78 2hi6 h GLU 107 Cb 1.16 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.54 2hi6 h GLU 107 CO 0.51 0.04 0.15 0.87 -0.73 0.00 0.00 179.01 179.85 2hi6 h LYS 108 N 0.00 0.00 -0.37 1.92 1.79 -1.99 -1.46 116.57 116.47 2hi6 h LYS 108 Ca -0.00 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2hi6 h LYS 108 Cb 0.60 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.23 2hi6 h LYS 108 CO 0.00 0.00 0.23 0.35 -1.08 0.00 0.00 179.45 178.95 2hi6 h PHE 109 N 0.00 0.48 -0.10 -1.35 3.57 -1.95 0.13 116.94 117.71 2hi6 h PHE 109 Ca 0.05 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.49 2hi6 h PHE 109 Cb 0.34 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.91 2hi6 h PHE 109 CO 0.00 0.33 -0.20 0.74 -2.23 0.00 0.00 178.31 176.95 2hi6 h PHE 110 N 0.48 0.18 0.02 0.41 0.04 -1.49 0.74 116.94 117.31 2hi6 h PHE 110 Ca 0.13 -0.02 -0.22 0.00 2.80 0.00 0.00 57.97 60.66 2hi6 h PHE 110 Cb -0.01 -0.05 -0.02 0.00 2.20 0.00 0.00 35.95 38.07 2hi6 h PHE 110 CO -0.04 0.36 -1.03 1.49 -0.60 0.00 0.00 178.31 178.49 2hi6 h GLU 111 N 0.15 0.05 0.04 1.51 4.81 -1.36 -3.34 114.58 116.44 2hi6 h GLU 111 Ca 0.03 -0.08 -0.31 0.00 -0.13 0.00 0.00 59.36 58.87 2hi6 h GLU 111 Cb 0.45 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.82 2hi6 h GLU 111 CO 0.03 1.03 -1.74 0.00 -0.73 0.00 0.00 179.01 177.59 2hi6 h ALA 112 N 0.94 0.64 -2.75 2.92 0.00 -0.27 -3.47 119.26 117.26 2hi6 h ALA 112 Ca -0.03 -1.40 -0.53 0.00 0.00 0.00 0.00 54.91 52.95 2hi6 h ALA 112 Cb 1.78 0.51 0.06 0.00 0.00 0.00 0.00 17.79 20.14 2hi6 h ALA 112 CO 0.14 1.47 0.80 0.54 0.00 0.00 0.00 179.25 182.20 2hi6 s VAL 113 N -2.59 2.51 -0.04 0.00 0.11 0.21 -5.00 120.40 115.59 2hi6 s VAL 113 Ca -0.09 0.43 0.05 0.00 -2.93 0.00 0.00 61.98 59.44 2hi6 s VAL 113 Cb 0.08 -3.27 -0.02 0.00 -1.53 0.00 0.00 36.38 31.63 2hi6 s VAL 113 CO 0.81 0.07 -0.20 -0.54 -3.33 0.00 0.00 175.10 171.91 2hi6 s LYS 114 N -0.34 2.36 -0.63 1.54 -0.14 -1.26 -4.97 119.74 116.29 2hi6 s LYS 114 Ca 0.61 -0.80 -0.27 0.00 -1.36 0.00 0.00 55.97 54.15 2hi6 s LYS 114 Cb -0.43 -2.23 -0.01 0.00 -1.68 0.00 0.00 37.83 33.47 2hi6 s LYS 114 CO 0.44 0.58 1.77 0.99 -0.76 0.00 0.00 175.35 178.37 2hi6 s THR 115 N -0.63 3.41 0.00 2.17 2.01 -1.26 -2.85 115.64 118.49 2hi6 s THR 115 Ca 0.10 0.23 0.00 0.00 0.31 0.00 0.00 61.69 62.32 2hi6 s THR 115 Cb -0.11 -4.09 0.00 0.00 0.01 0.00 0.00 72.50 68.31 2hi6 s THR 115 CO 0.00 -1.06 0.00 0.61 -0.69 0.00 0.00 174.62 173.49 2hi6 n GLY 116 N 5.66 1.59 3.90 4.40 0.00 0.71 -4.96 105.19 116.50 2hi6 n GLY 116 Ca 0.18 -0.15 -0.28 0.00 0.00 0.00 0.00 46.02 45.77 2hi6 n GLY 116 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2hi6 s ASP 117 N -0.31 6.07 -0.13 1.61 1.01 -1.13 -4.49 116.67 119.30 2hi6 s ASP 117 Ca 0.00 0.97 -0.21 0.00 0.71 0.00 0.00 52.55 54.03 2hi6 s ASP 117 Cb 0.00 -2.15 -0.03 0.00 1.01 0.00 0.00 42.92 41.75 2hi6 s ASP 117 CO 0.00 -0.77 0.61 -0.60 0.21 0.00 0.00 175.17 174.61 2hi6 s ARG 118 N -4.90 4.32 -0.23 8.23 3.52 -1.21 0.24 118.95 128.92 2hi6 s ARG 118 Ca 0.51 0.65 -0.06 0.00 -0.13 0.00 0.00 55.73 56.69 2hi6 s ARG 118 Cb -0.10 -3.50 -0.02 0.00 -1.56 0.00 0.00 34.95 29.77 2hi6 s ARG 118 CO 0.47 -0.03 0.03 0.08 -0.81 0.00 0.00 175.30 175.03 2hi6 s VAL 119 N 1.19 3.99 -0.55 7.11 1.01 0.06 -0.84 120.40 132.37 2hi6 s VAL 119 Ca 0.31 -0.28 -0.18 0.00 0.00 0.00 0.00 61.98 61.83 2hi6 s VAL 119 Cb -0.16 -2.84 0.10 0.00 0.00 0.00 0.00 36.38 33.47 2hi6 s VAL 119 CO 0.13 0.38 0.59 -0.69 0.00 0.00 0.00 175.10 175.51 2hi6 s VAL 120 N 1.46 4.99 -0.33 2.92 1.01 0.40 -2.56 120.40 128.29 2hi6 s VAL 120 Ca 0.05 -1.06 -0.11 0.00 0.00 0.00 0.00 61.98 60.86 2hi6 s VAL 120 Cb -0.15 -4.37 -0.01 0.00 0.00 0.00 0.00 36.38 31.86 2hi6 s VAL 120 CO 0.01 -0.93 0.20 0.54 0.00 0.00 0.00 175.10 174.93 2hi6 s VAL 121 N 2.23 4.94 -0.70 2.92 0.11 0.25 -0.51 120.40 129.64 2hi6 s VAL 121 Ca 0.09 -0.37 -0.13 0.00 -2.93 0.00 0.00 61.98 58.64 2hi6 s VAL 121 Cb -0.25 -3.55 0.18 0.00 -1.53 0.00 0.00 36.38 31.23 2hi6 s VAL 121 CO 0.06 -0.01 0.62 0.21 -3.33 0.00 0.00 175.10 172.66 2hi6 s ASN 122 N 1.66 6.36 0.36 3.54 2.47 0.23 -0.82 114.94 128.74 2hi6 s ASN 122 Ca 0.05 -2.40 0.17 0.00 0.42 0.00 0.00 52.86 51.10 2hi6 s ASN 122 Cb -0.17 -2.15 0.62 0.00 -1.45 0.00 0.00 41.25 38.10 2hi6 s ASN 122 CO 0.08 -0.64 1.71 0.00 -3.72 0.00 0.00 177.10 174.54 2hi6 h ALA 123 N 8.05 0.99 0.00 1.71 0.00 -0.90 -0.88 119.26 128.23 2hi6 h ALA 123 Ca -0.04 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 2hi6 h ALA 123 Cb 1.05 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 2hi6 h ALA 123 CO 0.83 0.51 -0.04 0.22 0.00 0.00 0.00 179.25 180.77 2hi6 h ASP 124 N 0.00 0.00 0.00 0.00 3.58 -1.03 -1.92 116.42 117.06 2hi6 h ASP 124 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2hi6 h ASP 124 Cb 0.93 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.98 2hi6 h ASP 124 CO 0.05 0.04 0.00 -1.84 -2.88 0.00 0.00 179.24 174.62 2hi6 n GLU 125 N -3.41 0.15 -3.01 0.28 0.28 -1.11 -4.88 120.64 108.94 2hi6 n GLU 125 Ca -0.02 -0.43 -0.10 0.00 -0.16 0.00 0.00 57.16 56.46 2hi6 n GLU 125 Cb 0.17 -0.92 0.05 0.00 1.43 0.00 0.00 31.44 32.16 2hi6 n GLU 125 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2hi6 n GLY 126 N 0.14 -0.99 3.33 -1.84 0.00 -0.42 -4.82 105.19 100.58 2hi6 n GLY 126 Ca 0.00 0.47 -0.13 0.00 0.00 0.00 0.00 46.02 46.35 2hi6 n GLY 126 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2hi6 s TYR 127 N -3.25 -0.45 -0.04 1.61 5.04 -0.68 -1.85 117.35 117.72 2hi6 s TYR 127 Ca 0.30 1.05 0.06 0.00 -2.44 0.00 0.00 57.07 56.03 2hi6 s TYR 127 Cb -0.04 0.17 -0.01 0.00 0.35 0.00 0.00 41.96 42.43 2hi6 s TYR 127 CO 0.66 -0.27 -0.21 0.14 -1.34 0.00 0.00 175.55 174.53 2hi6 s VAL 128 N -0.04 1.75 -0.22 3.14 -7.23 -0.82 -0.60 120.40 116.37 2hi6 s VAL 128 Ca -0.02 -0.90 0.02 0.00 -1.81 0.00 0.00 61.98 59.26 2hi6 s VAL 128 Cb -0.03 -1.48 0.04 0.00 0.56 0.00 0.00 36.38 35.47 2hi6 s VAL 128 CO 0.02 0.49 -0.14 -0.70 -0.31 0.00 0.00 175.10 174.45 2hi6 s GLU 129 N -0.16 2.49 -0.18 4.82 2.56 0.33 -2.46 118.70 126.10 2hi6 s GLU 129 Ca -0.01 -1.06 -0.20 0.00 0.00 0.00 0.00 54.97 53.70 2hi6 s GLU 129 Cb -0.12 -2.68 -0.03 0.00 2.00 0.00 0.00 34.13 33.30 2hi6 s GLU 129 CO 0.02 -0.41 0.56 -1.17 -0.56 0.00 0.00 175.26 173.71 2hi6 s LEU 130 N 1.22 4.18 -0.38 2.70 2.96 -1.03 -0.45 118.68 127.88 2hi6 s LEU 130 Ca -0.02 0.79 -0.13 0.00 -0.22 0.00 0.00 54.13 54.54 2hi6 s LEU 130 Cb -0.17 -2.79 0.01 0.00 0.50 0.00 0.00 46.19 43.74 2hi6 s LEU 130 CO -0.09 -0.18 0.25 -0.63 -1.32 0.00 0.00 176.35 174.39 2hi6 s ILE 131 N 1.53 5.06 -2.64 6.68 -1.09 -0.02 -4.00 121.20 126.71 2hi6 s ILE 131 Ca 0.27 -0.59 0.27 0.00 -2.23 0.00 0.00 60.65 58.36 2hi6 s ILE 131 Cb -0.16 -3.75 0.45 0.00 -1.58 0.00 0.00 42.46 37.42 2hi6 s ILE 131 CO 0.11 -0.20 1.61 -0.62 -1.23 0.00 0.00 174.94 174.60