#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 3.27 0.14 5.55 3.01 -1.26 -2.71 119.74 127.74 2hi6 s LYS 2 Ca 0.00 -0.79 -0.08 0.00 -1.01 0.00 0.00 55.97 54.09 2hi6 s LYS 2 Cb 0.00 -3.78 -0.06 0.00 -1.01 0.00 0.00 37.83 32.98 2hi6 s LYS 2 CO 0.00 -0.53 0.43 -0.06 0.51 0.00 0.00 175.35 175.69 2hi6 s PHE 3 N 1.67 3.50 -0.20 3.18 0.40 -0.95 -4.93 117.98 120.65 2hi6 s PHE 3 Ca 0.05 0.72 -0.15 0.00 -0.60 0.00 0.00 56.93 56.95 2hi6 s PHE 3 Cb -0.18 -2.12 -0.04 0.00 0.51 0.00 0.00 43.02 41.19 2hi6 s PHE 3 CO 0.09 0.42 0.36 0.00 0.70 0.00 0.00 175.22 176.80 2hi6 s ALA 4 N -1.60 3.56 0.47 5.36 0.00 -1.26 -2.07 121.76 126.22 2hi6 s ALA 4 Ca 0.40 -0.55 0.03 0.00 0.00 0.00 0.00 51.96 51.84 2hi6 s ALA 4 Cb -0.13 -2.58 -0.04 0.00 0.00 0.00 0.00 23.12 20.38 2hi6 s ALA 4 CO 0.21 -0.24 0.01 0.00 0.00 0.00 0.00 175.76 175.74 2hi6 s ARG 6 N -3.81 3.92 -0.24 0.00 3.52 -0.86 -4.57 118.95 116.90 2hi6 s ARG 6 Ca 0.17 -0.34 -0.29 0.00 -0.13 0.00 0.00 55.73 55.14 2hi6 s ARG 6 Cb 0.05 -3.56 -0.02 0.00 -1.56 0.00 0.00 34.95 29.85 2hi6 s ARG 6 CO 0.09 -0.12 1.62 0.00 -0.81 0.00 0.00 175.30 176.08 2hi6 s ALA 7 N 1.56 3.21 -0.05 6.12 0.00 -1.26 -2.62 121.76 128.73 2hi6 s ALA 7 Ca 0.07 0.41 -0.03 0.00 0.00 0.00 0.00 51.96 52.40 2hi6 s ALA 7 Cb -0.15 -3.87 -0.01 0.00 0.00 0.00 0.00 23.12 19.08 2hi6 s ALA 7 CO 0.08 -2.05 -0.06 -0.89 0.00 0.00 0.00 175.76 172.83 2hi6 n ILE 8 N 6.56 0.49 -2.64 0.00 2.08 -1.15 -5.00 119.36 119.70 2hi6 n ILE 8 Ca 0.19 0.40 -0.02 0.00 0.56 0.00 0.00 62.75 63.88 2hi6 n ILE 8 Cb 0.46 -1.81 0.01 0.00 -0.75 0.00 0.00 39.64 37.55 2hi6 n ILE 8 CO 0.00 0.00 0.00 0.35 0.56 0.00 0.00 176.55 177.46 2hi6 n THR 9 N -3.07 0.00 -4.32 1.39 -2.24 -1.22 -5.03 114.28 99.79 2hi6 n THR 9 Ca -0.03 -0.17 -0.17 0.00 -2.27 0.00 0.00 64.05 61.42 2hi6 n THR 9 Cb 0.10 -1.14 -0.10 0.00 -2.10 0.00 0.00 70.33 67.08 2hi6 n THR 9 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2hi6 s ARG 10 N -2.45 1.29 0.00 -0.78 0.52 -1.26 -4.62 118.95 111.65 2hi6 s ARG 10 Ca 0.06 -1.64 0.00 0.00 -0.52 0.00 0.00 55.73 53.63 2hi6 s ARG 10 Cb -0.00 -0.61 0.00 0.00 0.52 0.00 0.00 34.95 34.85 2hi6 s ARG 10 CO 0.04 -0.07 0.00 0.41 0.02 0.00 0.00 175.30 175.70 2hi6 n GLY 11 N -0.38 3.04 3.20 -3.53 0.00 -1.26 -4.45 105.19 101.81 2hi6 n GLY 11 Ca -0.06 -1.87 -0.34 0.00 0.00 0.00 0.00 46.02 43.76 2hi6 n GLY 11 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2hi6 s ARG 12 N -3.45 2.96 -0.04 1.61 3.52 -1.26 -0.43 118.95 121.86 2hi6 s ARG 12 Ca 0.00 -0.89 0.07 0.00 -0.13 0.00 0.00 55.73 54.78 2hi6 s ARG 12 Cb 0.00 -2.89 -0.02 0.00 -1.56 0.00 0.00 34.95 30.48 2hi6 s ARG 12 CO 0.00 -0.32 -0.24 0.00 -0.81 0.00 0.00 175.30 173.93 2hi6 s ALA 13 N 1.34 2.24 -0.06 6.12 0.00 -0.16 -4.97 121.76 126.26 2hi6 s ALA 13 Ca 0.02 -1.07 0.02 0.00 0.00 0.00 0.00 51.96 50.93 2hi6 s ALA 13 Cb -0.15 -0.67 -0.03 0.00 0.00 0.00 0.00 23.12 22.27 2hi6 s ALA 13 CO -0.06 0.49 -0.10 -2.00 0.00 0.00 0.00 175.76 174.09 2hi6 s GLU 14 N -0.45 2.69 0.04 0.00 2.12 -1.26 -1.23 118.70 120.60 2hi6 s GLU 14 Ca 0.05 -0.61 -0.28 0.00 0.36 0.00 0.00 54.97 54.49 2hi6 s GLU 14 Cb -0.11 -2.51 0.10 0.00 0.26 0.00 0.00 34.13 31.86 2hi6 s GLU 14 CO 0.01 0.63 1.18 0.20 -0.54 0.00 0.00 175.26 176.74 2hi6 s GLY 15 N -0.72 -0.33 -0.08 -1.50 0.00 -1.17 -4.92 107.32 98.59 2hi6 s GLY 15 Ca 0.11 0.46 -0.27 0.00 0.00 0.00 0.00 44.72 45.02 2hi6 s GLY 15 CO 0.01 0.37 0.88 1.85 0.00 0.00 0.00 173.10 176.21 2hi6 s GLU 16 N -2.66 4.44 -0.08 2.90 2.12 -1.26 -2.67 118.70 121.49 2hi6 s GLU 16 Ca 0.14 1.19 -0.20 0.00 0.36 0.00 0.00 54.97 56.47 2hi6 s GLU 16 Cb 0.03 -3.50 -0.04 0.00 0.26 0.00 0.00 34.13 30.87 2hi6 s GLU 16 CO -0.02 -0.15 0.54 0.00 -0.54 0.00 0.00 175.26 175.10 2hi6 s ALA 17 N 1.45 3.46 -0.13 6.30 0.00 0.35 -1.71 121.76 131.48 2hi6 s ALA 17 Ca 0.44 -0.08 -0.01 0.00 0.00 0.00 0.00 51.96 52.32 2hi6 s ALA 17 Cb -0.19 -2.72 -0.02 0.00 0.00 0.00 0.00 23.12 20.20 2hi6 s ALA 17 CO 0.20 0.04 -0.11 -0.51 0.00 0.00 0.00 175.76 175.38 2hi6 s LEU 18 N 0.40 2.86 -0.13 0.00 1.02 0.10 0.36 118.68 123.29 2hi6 s LEU 18 Ca 0.29 -0.27 0.02 0.00 0.02 0.00 0.00 54.13 54.20 2hi6 s LEU 18 Cb -0.16 -1.65 0.01 0.00 0.02 0.00 0.00 46.19 44.40 2hi6 s LEU 18 CO 0.13 0.18 -0.21 -0.69 0.02 0.00 0.00 176.35 175.78 2hi6 s VAL 19 N 0.29 2.15 -0.03 -1.59 1.01 -1.26 -0.95 120.40 120.01 2hi6 s VAL 19 Ca -0.08 -0.96 0.07 0.00 0.00 0.00 0.00 61.98 61.01 2hi6 s VAL 19 Cb -0.15 -1.86 -0.02 0.00 0.00 0.00 0.00 36.38 34.35 2hi6 s VAL 19 CO 0.05 0.55 -0.22 0.28 0.00 0.00 0.00 175.10 175.75 2hi6 s THR 20 N 0.71 2.35 -1.10 3.92 -1.32 -0.82 -4.73 115.64 114.65 2hi6 s THR 20 Ca -0.09 -0.99 0.25 0.00 -1.21 0.00 0.00 61.69 59.64 2hi6 s THR 20 Cb -0.16 -1.85 -0.00 0.00 -1.51 0.00 0.00 72.50 68.98 2hi6 s THR 20 CO 0.01 0.58 1.35 0.29 -2.21 0.00 0.00 174.62 174.64 2hi6 n LYS 21 N 2.45 0.11 -3.64 7.08 5.02 -1.26 -4.43 118.16 123.50 2hi6 n LYS 21 Ca -0.16 -0.07 -0.35 0.00 -2.02 0.00 0.00 58.31 55.70 2hi6 n LYS 21 Cb 0.51 -1.50 -0.05 0.00 -0.02 0.00 0.00 35.03 33.97 2hi6 n LYS 21 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2hi6 s GLU 22 N -2.94 3.71 0.40 1.97 0.41 -1.26 -4.91 118.70 116.08 2hi6 s GLU 22 Ca 0.12 0.12 -0.12 0.00 -0.41 0.00 0.00 54.97 54.68 2hi6 s GLU 22 Cb 0.17 -3.07 -0.07 0.00 -1.78 0.00 0.00 34.13 29.39 2hi6 s GLU 22 CO 0.70 0.62 0.79 1.52 -0.49 0.00 0.00 175.26 178.40 2hi6 s TYR 23 N -1.30 3.44 0.46 1.61 -0.85 -1.26 -4.68 117.35 114.78 2hi6 s TYR 23 Ca 0.29 1.13 0.01 0.00 -0.52 0.00 0.00 57.07 57.98 2hi6 s TYR 23 Cb -0.14 -2.50 -0.00 0.00 0.38 0.00 0.00 41.96 39.70 2hi6 s TYR 23 CO 0.16 -0.09 0.03 0.44 -1.52 0.00 0.00 175.55 174.57 2hi6 n ILE 24 N -1.11 0.00 -4.19 -3.49 -5.35 0.21 -4.93 119.36 100.50 2hi6 n ILE 24 Ca 0.03 -2.25 -0.34 0.00 -0.27 0.00 0.00 62.75 59.92 2hi6 n ILE 24 Cb 0.54 0.52 -0.14 0.00 -1.74 0.00 0.00 39.64 38.82 2hi6 n ILE 24 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 2hi6 s SER 25 N -3.57 4.41 -0.82 7.28 1.04 -1.26 -1.05 113.70 119.73 2hi6 s SER 25 Ca 0.04 -0.30 -0.25 0.00 0.48 0.00 0.00 55.95 55.91 2hi6 s SER 25 Cb 0.00 -1.73 0.01 0.00 0.10 0.00 0.00 66.02 64.40 2hi6 s SER 25 CO 0.03 0.06 1.55 -0.36 0.98 0.00 0.00 173.24 175.50 2hi6 s PHE 26 N 0.99 2.15 0.00 5.02 0.08 1.00 -4.73 117.98 122.49 2hi6 s PHE 26 Ca 0.00 -0.00 0.00 0.00 0.12 0.00 0.00 56.93 57.05 2hi6 s PHE 26 Cb -0.15 -4.45 0.00 0.00 -0.57 0.00 0.00 43.02 37.85 2hi6 s PHE 26 CO 0.00 -2.03 0.00 1.47 -0.10 0.00 0.00 175.22 174.56 2hi6 n LEU 27 N 10.64 0.00 -3.52 -0.37 -0.00 -1.26 -2.45 117.00 120.03 2hi6 n LEU 27 Ca 0.21 0.00 -0.38 0.00 -0.00 0.00 0.00 56.01 55.84 2hi6 n LEU 27 Cb 0.50 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.88 2hi6 n LEU 27 CO 0.68 0.00 2.38 0.61 -0.00 0.00 0.00 177.39 181.06 2hi6 n GLY 28 N 0.00 3.20 0.04 1.47 0.00 -1.26 -4.36 105.19 104.28 2hi6 n GLY 28 Ca 0.00 -1.26 0.05 0.00 0.00 0.00 0.00 46.02 44.80 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 4.20 -0.98 3.80 -0.02 0.00 -1.26 -4.91 105.19 106.02 2hi6 n GLY 29 Ca 0.51 -0.46 -0.36 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 -3.18 5.16 0.17 -0.61 1.01 -1.26 0.47 121.20 122.96 2hi6 s ILE 30 Ca -0.08 0.08 -0.30 0.00 0.00 0.00 0.00 60.65 60.34 2hi6 s ILE 30 Cb 0.11 -3.25 -0.08 0.00 0.01 0.00 0.00 42.46 39.25 2hi6 s ILE 30 CO 0.87 0.59 1.34 -0.62 0.00 0.00 0.00 174.94 177.11 2hi6 s ASP 31 N -0.75 6.87 0.31 3.58 2.15 0.80 -4.90 116.67 124.72 2hi6 s ASP 31 Ca 0.13 2.38 0.25 0.00 0.43 0.00 0.00 52.55 55.75 2hi6 s ASP 31 Cb -0.12 -2.60 0.71 0.00 -0.30 0.00 0.00 42.92 40.61 2hi6 s ASP 31 CO 0.03 -0.57 1.73 0.07 -0.17 0.00 0.00 175.17 176.26 2hi6 h LYS 32 N 5.81 0.00 0.00 4.34 2.10 -1.97 -1.54 116.57 125.30 2hi6 h LYS 32 Ca -0.44 0.00 -0.27 0.00 -2.00 0.00 0.00 60.65 57.94 2hi6 h LYS 32 Cb 1.21 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 32.50 2hi6 h LYS 32 CO 0.80 0.00 -1.62 0.39 -2.00 0.00 0.00 179.45 177.02 2hi6 n GLU 33 N -2.57 0.56 0.00 0.07 -0.58 -1.26 -4.59 120.64 112.26 2hi6 n GLU 33 Ca 0.04 0.42 0.08 0.00 -0.42 0.00 0.00 57.16 57.28 2hi6 n GLU 33 Cb 0.44 -1.61 0.02 0.00 -0.57 0.00 0.00 31.44 29.72 2hi6 n GLU 33 CO 0.00 0.00 0.00 -2.37 -0.48 0.00 0.00 177.13 174.28 2hi6 n THR 34 N -4.39 0.00 -3.04 2.62 5.66 -1.26 -4.94 114.28 108.93 2hi6 n THR 34 Ca -0.36 -0.40 -0.16 0.00 -3.05 0.00 0.00 64.05 60.09 2hi6 n THR 34 Cb 0.69 1.24 0.04 0.00 -1.55 0.00 0.00 70.33 70.75 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 1.05 -0.11 3.61 1.09 0.00 -0.58 -4.74 105.19 105.50 2hi6 n GLY 35 Ca 0.08 -0.09 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 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 -3.11 4.73 -0.18 -0.61 -1.09 -1.25 -2.09 121.20 117.60 2hi6 s ILE 36 Ca 0.32 -0.05 -0.29 0.00 -2.23 0.00 0.00 60.65 58.39 2hi6 s ILE 36 Cb -0.14 -3.14 -0.02 0.00 -1.58 0.00 0.00 42.46 37.58 2hi6 s ILE 36 CO 0.39 0.44 1.44 -0.69 -1.23 0.00 0.00 174.94 175.29 2hi6 s VAL 37 N 0.52 3.97 0.01 2.92 1.01 -1.26 -0.14 120.40 127.42 2hi6 s VAL 37 Ca 0.03 1.14 -0.05 0.00 0.00 0.00 0.00 61.98 63.10 2hi6 s VAL 37 Cb -0.13 -3.85 -0.29 0.00 0.00 0.00 0.00 36.38 32.12 2hi6 s VAL 37 CO 0.01 -0.23 0.88 0.11 0.00 0.00 0.00 175.10 175.87 2hi6 h LYS 38 N 9.32 0.28 -6.68 2.72 1.79 -0.33 -3.37 116.57 120.29 2hi6 h LYS 38 Ca -0.31 -0.48 -0.53 0.00 -2.18 0.00 0.00 60.65 57.15 2hi6 h LYS 38 Cb 1.13 0.18 0.05 0.00 -1.58 0.00 0.00 32.23 32.01 2hi6 h LYS 38 CO 0.99 1.16 0.81 -2.00 -1.08 0.00 0.00 179.45 179.33 2hi6 s GLU 39 N -2.62 4.24 0.16 3.15 2.56 -1.10 -4.94 118.70 120.16 2hi6 s GLU 39 Ca -0.09 2.32 -0.30 0.00 0.00 0.00 0.00 54.97 56.91 2hi6 s GLU 39 Cb 0.07 -3.13 -0.07 0.00 2.00 0.00 0.00 34.13 32.99 2hi6 s GLU 39 CO 0.86 -0.50 0.94 0.34 -0.56 0.00 0.00 175.26 176.34 2hi6 s ASP 40 N 0.71 7.54 0.00 -1.70 -1.08 -1.26 -4.89 116.67 115.99 2hi6 s ASP 40 Ca 0.64 1.83 0.16 0.00 -0.52 0.00 0.00 52.55 54.66 2hi6 s ASP 40 Cb -0.42 -2.59 0.27 0.00 -1.46 0.00 0.00 42.92 38.71 2hi6 s ASP 40 CO 0.38 0.03 1.08 0.00 0.52 0.00 0.00 175.17 177.19 2hi6 n GLU 42 N 0.31 0.00 -0.00 0.00 2.13 -1.26 -3.99 120.64 117.82 2hi6 n GLU 42 Ca -0.01 0.00 0.07 0.00 0.66 0.00 0.00 57.16 57.88 2hi6 n GLU 42 Cb 0.97 0.00 0.43 0.00 0.27 0.00 0.00 31.44 33.11 2hi6 n GLU 42 CO 0.00 0.00 0.00 0.44 -0.41 0.00 0.00 177.13 177.16 2hi6 n ILE 43 N 0.00 0.01 -2.17 6.31 -5.35 -1.26 -4.84 119.36 112.05 2hi6 n ILE 43 Ca 0.00 -0.01 -0.41 0.00 -0.27 0.00 0.00 62.75 62.06 2hi6 n ILE 43 Cb 0.00 -0.21 -0.02 0.00 -1.74 0.00 0.00 39.64 37.67 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 -1.99 4.40 0.00 6.28 2.36 -1.26 -4.40 119.74 125.13 2hi6 s LYS 44 Ca 0.22 2.14 0.00 0.00 -2.55 0.00 0.00 55.97 55.79 2hi6 s LYS 44 Cb 0.10 -3.10 0.00 0.00 -1.05 0.00 0.00 37.83 33.78 2hi6 s LYS 44 CO 0.17 -0.14 0.00 0.41 1.55 0.00 0.00 175.35 177.34 2hi6 n GLY 45 N 1.02 -0.73 3.90 5.54 0.00 -1.26 -4.88 105.19 108.79 2hi6 n GLY 45 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.81 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 3.21 -0.19 1.61 0.41 -1.26 -4.90 118.70 117.58 2hi6 s GLU 46 Ca 0.00 -0.88 -0.27 0.00 -0.41 0.00 0.00 54.97 53.40 2hi6 s GLU 46 Cb 0.00 -2.75 -0.00 0.00 -1.78 0.00 0.00 34.13 29.60 2hi6 s GLU 46 CO 0.00 0.42 0.94 -1.54 -0.49 0.00 0.00 175.26 174.59 2hi6 s SER 47 N -3.89 7.04 -0.07 -0.19 1.04 -1.26 -4.05 113.70 112.32 2hi6 s SER 47 Ca 0.33 1.29 0.05 0.00 0.48 0.00 0.00 55.95 58.10 2hi6 s SER 47 Cb -0.09 -2.50 0.27 0.00 0.10 0.00 0.00 66.02 63.81 2hi6 s SER 47 CO 0.27 -0.53 0.94 1.33 0.98 0.00 0.00 173.24 176.24 2hi6 n VAL 48 N 5.01 0.89 -1.86 5.02 0.24 -0.89 -4.82 118.33 121.92 2hi6 n VAL 48 Ca 0.08 -0.46 -0.25 0.00 -2.04 0.00 0.00 64.34 61.67 2hi6 n VAL 48 Cb 0.48 -0.38 -0.05 0.00 -1.47 0.00 0.00 33.84 32.41 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 -1.60 1.43 0.00 2.33 0.00 -1.24 -1.82 121.76 120.86 2hi6 s ALA 49 Ca 0.18 -1.06 0.00 0.00 0.00 0.00 0.00 51.96 51.08 2hi6 s ALA 49 Cb 0.14 -4.51 0.00 0.00 0.00 0.00 0.00 23.12 18.74 2hi6 s ALA 49 CO 0.06 -5.00 0.00 0.41 0.00 0.00 0.00 175.76 171.23 2hi6 n GLY 50 N 6.62 0.64 3.98 0.00 0.00 -0.34 -4.94 105.19 111.14 2hi6 n GLY 50 Ca 0.39 -0.76 -0.20 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.26 3.17 -0.29 1.61 1.81 -0.75 -4.38 118.95 117.86 2hi6 s ARG 51 Ca 0.00 -0.81 -0.10 0.00 -1.72 0.00 0.00 55.73 53.10 2hi6 s ARG 51 Cb 0.00 -2.76 -0.03 0.00 -0.45 0.00 0.00 34.95 31.71 2hi6 s ARG 51 CO 0.00 0.04 0.17 0.42 -0.68 0.00 0.00 175.30 175.25 2hi6 s ILE 52 N -2.24 4.95 -0.20 1.52 -1.09 -0.69 -0.48 121.20 122.97 2hi6 s ILE 52 Ca 0.44 -0.08 -0.06 0.00 -2.23 0.00 0.00 60.65 58.71 2hi6 s ILE 52 Cb -0.10 -3.42 -0.03 0.00 -1.58 0.00 0.00 42.46 37.34 2hi6 s ILE 52 CO 0.33 0.19 0.03 -0.76 -1.23 0.00 0.00 174.94 173.50 2hi6 s LEU 53 N 1.69 3.45 -0.37 2.97 2.01 -0.95 0.02 118.68 127.51 2hi6 s LEU 53 Ca 0.06 -0.12 -0.05 0.00 0.01 0.00 0.00 54.13 54.03 2hi6 s LEU 53 Cb -0.16 -1.88 0.07 0.00 0.01 0.00 0.00 46.19 44.22 2hi6 s LEU 53 CO 0.08 0.08 0.15 -0.69 1.01 0.00 0.00 176.35 176.98 2hi6 s VAL 54 N 0.94 3.62 0.03 -1.59 1.01 -0.12 -1.54 120.40 122.75 2hi6 s VAL 54 Ca 0.02 -1.46 0.02 0.00 0.00 0.00 0.00 61.98 60.56 2hi6 s VAL 54 Cb -0.14 -3.20 -0.02 0.00 0.00 0.00 0.00 36.38 33.02 2hi6 s VAL 54 CO 0.02 -0.36 -0.07 0.72 0.00 0.00 0.00 175.10 175.41 2hi6 s PHE 55 N 1.32 0.57 0.17 5.22 -0.71 -1.04 -1.95 117.98 121.55 2hi6 s PHE 55 Ca 0.01 -0.42 -0.15 0.00 -1.04 0.00 0.00 56.93 55.33 2hi6 s PHE 55 Cb -0.21 -0.35 0.06 0.00 -1.21 0.00 0.00 43.02 41.31 2hi6 s PHE 55 CO 0.00 -0.08 1.82 -1.35 -1.34 0.00 0.00 175.22 174.27 2hi6 h PRO 56 N 4.80 0.62 0.00 1.99 0.11 -1.83 -3.35 132.00 134.34 2hi6 h PRO 56 Ca -0.34 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.74 2hi6 h PRO 56 Cb 1.20 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.17 2hi6 h PRO 56 CO 0.42 0.41 0.00 0.41 -0.21 0.00 0.00 178.00 179.03 2hi6 n GLY 57 N -1.23 0.24 0.00 -0.55 0.00 -1.26 -2.21 105.19 100.18 2hi6 n GLY 57 Ca 0.02 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.58 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 0.45 3.44 -0.02 0.00 -1.26 -0.62 105.19 107.18 2hi6 n GLY 58 Ca 0.00 -1.37 -0.44 0.00 0.00 0.00 0.00 46.02 44.21 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 -1.80 3.13 -1.04 1.61 1.02 -0.22 -4.95 119.74 117.48 2hi6 s LYS 59 Ca 0.00 -0.92 -0.15 0.00 0.02 0.00 0.00 55.97 54.91 2hi6 s LYS 59 Cb 0.00 -4.16 0.17 0.00 -0.52 0.00 0.00 37.83 33.32 2hi6 s LYS 59 CO 0.00 -1.43 1.21 0.20 -0.92 0.00 0.00 175.35 174.41 2hi6 s GLY 60 N 3.11 2.31 0.56 -3.33 0.00 -1.26 -0.00 107.32 108.71 2hi6 s GLY 60 Ca 0.17 -3.15 -0.15 0.00 0.00 0.00 0.00 44.72 41.59 2hi6 s GLY 60 CO 0.11 1.89 1.01 -0.56 0.00 0.00 0.00 173.10 175.55 2hi6 s SER 61 N 2.96 6.33 0.57 1.64 0.01 -1.21 -4.95 113.70 119.04 2hi6 s SER 61 Ca 0.35 1.59 0.35 0.00 1.31 0.00 0.00 55.95 59.56 2hi6 s SER 61 Cb -0.05 -2.51 1.56 0.00 0.21 0.00 0.00 66.02 65.24 2hi6 s SER 61 CO -0.06 -0.79 2.06 0.00 0.41 0.00 0.00 173.24 174.86 2hi6 h THR 62 N 0.52 0.03 0.00 1.44 1.03 -1.95 -1.86 112.91 112.12 2hi6 h THR 62 Ca -0.46 -0.44 -0.06 0.00 -0.01 0.00 0.00 66.41 65.44 2hi6 h THR 62 Cb 1.19 1.42 -0.01 0.00 -1.07 0.00 0.00 68.15 69.68 2hi6 h THR 62 CO 0.61 0.01 -0.29 1.62 -0.01 0.00 0.00 175.52 177.45 2hi6 h VAL 63 N 0.00 1.02 -0.27 0.00 3.04 -1.93 -2.44 116.25 115.67 2hi6 h VAL 63 Ca -0.00 -1.07 0.00 0.00 -1.01 0.00 0.00 66.70 64.62 2hi6 h VAL 63 Cb 0.42 1.61 0.00 0.00 -2.01 0.00 0.00 31.29 31.31 2hi6 h VAL 63 CO 0.00 0.28 0.00 0.61 -1.01 0.00 0.00 177.57 177.46 2hi6 n GLY 64 N -0.46 0.64 0.07 3.17 0.00 -0.70 -4.02 105.19 103.89 2hi6 n GLY 64 Ca -0.02 -0.31 -0.07 0.00 0.00 0.00 0.00 46.02 45.62 2hi6 n GLY 64 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2hi6 h SER 65 N 1.61 0.00 1.42 1.61 0.87 -1.56 -3.38 113.55 114.11 2hi6 h SER 65 Ca 0.00 -0.33 0.00 0.00 -1.23 0.00 0.00 61.79 60.23 2hi6 h SER 65 Cb 0.51 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.47 2hi6 h SER 65 CO 0.04 0.81 0.00 0.10 -0.53 0.00 0.00 176.83 177.25 2hi6 h TYR 66 N -1.00 0.00 0.00 2.24 -0.00 -1.75 -3.14 116.97 113.32 2hi6 h TYR 66 Ca -0.05 0.00 -0.06 0.00 0.00 0.00 0.00 58.73 58.63 2hi6 h TYR 66 Cb 0.54 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.26 2hi6 h TYR 66 CO 0.04 0.00 -0.28 -0.39 -0.00 0.00 0.00 178.16 177.54 2hi6 h VAL 67 N 0.00 1.06 -0.79 -0.90 -1.51 -1.74 -2.09 116.25 110.27 2hi6 h VAL 67 Ca 0.00 -0.99 -0.03 0.00 -1.23 0.00 0.00 66.70 64.45 2hi6 h VAL 67 Cb 0.71 1.56 -0.04 0.00 -2.13 0.00 0.00 31.29 31.39 2hi6 h VAL 67 CO 0.00 0.27 0.38 -0.07 -1.23 0.00 0.00 177.57 176.92 2hi6 h LEU 68 N 0.00 1.04 -0.28 4.19 3.38 -1.74 0.79 115.31 122.69 2hi6 h LEU 68 Ca -0.00 -0.13 -0.11 0.00 0.09 0.00 0.00 57.88 57.73 2hi6 h LEU 68 Cb 0.53 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 2hi6 h LEU 68 CO 0.04 0.88 -0.24 0.25 0.09 0.00 0.00 178.44 179.46 2hi6 h LEU 69 N 1.12 0.70 -0.14 1.67 5.85 -1.62 -0.76 115.31 122.14 2hi6 h LEU 69 Ca 0.27 -0.46 0.03 0.00 0.84 0.00 0.00 57.88 58.56 2hi6 h LEU 69 Cb 0.12 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 40.92 2hi6 h LEU 69 CO -0.03 1.01 -0.03 -1.13 -0.34 0.00 0.00 178.44 177.92 2hi6 h ASN 70 N 0.40 -0.12 -0.51 1.25 -0.00 -1.04 0.23 115.58 115.80 2hi6 h ASN 70 Ca 0.05 0.04 -0.03 0.00 -0.00 0.00 0.00 56.30 56.36 2hi6 h ASN 70 Cb 0.79 0.08 -0.02 0.00 -0.00 0.00 0.00 38.32 39.17 2hi6 h ASN 70 CO 0.06 -0.04 0.19 -0.07 -0.00 0.00 0.00 177.43 177.57 2hi6 h LEU 71 N 0.01 0.72 -0.65 0.34 3.38 -0.82 -2.57 115.31 115.72 2hi6 h LEU 71 Ca 0.07 -0.18 -0.11 0.00 0.09 0.00 0.00 57.88 57.75 2hi6 h LEU 71 Cb 0.10 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 2hi6 h LEU 71 CO -0.14 0.71 -0.10 -0.09 0.09 0.00 0.00 178.44 178.91 2hi6 h ARG 72 N 0.69 0.95 -0.19 1.13 1.12 -0.79 0.25 114.38 117.54 2hi6 h ARG 72 Ca 0.17 -0.33 -0.02 0.00 -1.11 0.00 0.00 59.98 58.69 2hi6 h ARG 72 Cb 0.22 -0.07 -0.01 0.00 -0.01 0.00 0.00 29.97 30.10 2hi6 h ARG 72 CO -0.01 1.00 0.05 -0.22 -3.11 0.00 0.00 179.97 177.68 2hi6 h LYS 73 N 0.85 0.27 -0.00 0.20 3.11 -0.38 0.09 116.57 120.70 2hi6 h LYS 73 Ca 0.14 -0.03 0.00 0.00 -2.81 0.00 0.00 60.65 57.95 2hi6 h LYS 73 Cb 0.64 -0.05 0.00 0.00 -1.00 0.00 0.00 32.23 31.81 2hi6 h LYS 73 CO 0.04 0.25 -0.44 -1.71 -2.81 0.00 0.00 179.45 174.79 2hi6 n ASN 74 N -4.43 0.83 0.00 4.20 5.15 -0.93 -4.94 115.26 115.14 2hi6 n ASN 74 Ca -0.00 -0.63 0.00 0.00 -0.60 0.00 0.00 54.58 53.35 2hi6 n ASN 74 Cb 0.14 0.27 0.00 0.00 -0.53 0.00 0.00 39.78 39.66 2hi6 n ASN 74 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2hi6 n GLY 75 N 1.43 0.49 0.75 8.20 0.00 0.02 -4.91 105.19 111.17 2hi6 n GLY 75 Ca 0.08 -0.62 0.07 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.89 0.76 -3.18 1.61 0.24 -0.10 -4.48 118.33 110.28 2hi6 n VAL 76 Ca 0.00 -0.88 -0.25 0.00 -2.04 0.00 0.00 64.34 61.17 2hi6 n VAL 76 Cb 0.00 0.69 -0.01 0.00 -1.47 0.00 0.00 33.84 33.05 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 -1.04 3.62 0.64 2.33 0.00 -1.08 -3.67 121.76 122.56 2hi6 s ALA 77 Ca 0.26 -0.80 -0.18 0.00 0.00 0.00 0.00 51.96 51.25 2hi6 s ALA 77 Cb 0.14 -2.24 -0.02 0.00 0.00 0.00 0.00 23.12 21.01 2hi6 s ALA 77 CO 0.19 -0.11 1.18 -2.30 0.00 0.00 0.00 175.76 174.73 2hi6 n PRO 78 N -1.91 1.01 0.13 0.00 -0.02 -0.93 -1.20 135.00 132.08 2hi6 n PRO 78 Ca -0.03 0.40 0.03 0.00 -2.02 0.00 0.00 63.50 61.87 2hi6 n PRO 78 Cb 0.56 -2.42 0.02 0.00 -0.02 0.00 0.00 33.50 31.64 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 0.45 0.00 -1.83 -0.52 3.64 -0.98 -3.43 116.57 113.89 2hi6 h LYS 79 Ca -0.50 0.00 0.10 0.00 -1.27 0.00 0.00 60.65 58.98 2hi6 h LYS 79 Cb 1.35 0.00 -0.20 0.00 -0.41 0.00 0.00 32.23 32.97 2hi6 h LYS 79 CO 0.52 0.43 0.53 0.00 -2.27 0.00 0.00 179.45 178.67 2hi6 s ALA 80 N -2.98 -1.90 0.02 5.00 0.00 -1.22 -4.21 121.76 116.47 2hi6 s ALA 80 Ca 0.03 1.37 0.02 0.00 0.00 0.00 0.00 51.96 53.38 2hi6 s ALA 80 Cb 0.08 -0.24 -0.02 0.00 0.00 0.00 0.00 23.12 22.94 2hi6 s ALA 80 CO 0.75 -0.47 -0.06 0.96 0.00 0.00 0.00 175.76 176.94 2hi6 s ILE 81 N -1.93 0.46 -0.15 0.00 -4.36 -1.07 -2.23 121.20 111.92 2hi6 s ILE 81 Ca 0.01 -0.73 0.02 0.00 -0.26 0.00 0.00 60.65 59.68 2hi6 s ILE 81 Cb -0.01 -0.49 0.01 0.00 1.25 0.00 0.00 42.46 43.23 2hi6 s ILE 81 CO -0.02 -0.20 -0.19 -0.63 0.24 0.00 0.00 174.94 174.14 2hi6 s ILE 82 N -0.89 2.25 0.40 8.37 -1.09 -0.59 -3.06 121.20 126.60 2hi6 s ILE 82 Ca -0.06 -0.91 0.05 0.00 -2.23 0.00 0.00 60.65 57.51 2hi6 s ILE 82 Cb -0.07 -1.92 -0.07 0.00 -1.58 0.00 0.00 42.46 38.82 2hi6 s ILE 82 CO 0.00 0.54 0.03 0.20 -1.23 0.00 0.00 174.94 174.47 2hi6 s ASN 83 N 0.91 3.49 -0.17 3.58 0.02 -0.35 -2.51 114.94 119.91 2hi6 s ASN 83 Ca -0.04 -1.41 0.12 0.00 -1.02 0.00 0.00 52.86 50.50 2hi6 s ASN 83 Cb -0.15 -0.19 -0.23 0.00 0.02 0.00 0.00 41.25 40.70 2hi6 s ASN 83 CO -0.03 -0.55 0.18 2.29 0.02 0.00 0.00 177.10 179.00 2hi6 n LYS 84 N -0.93 0.68 -3.67 -0.60 2.85 -0.94 0.49 118.16 116.04 2hi6 n LYS 84 Ca -0.06 0.11 -0.25 0.00 -1.05 0.00 0.00 58.31 57.06 2hi6 n LYS 84 Cb 0.67 -1.60 -0.17 0.00 -0.65 0.00 0.00 35.03 33.28 2hi6 n LYS 84 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 177.40 177.56 2hi6 s LYS 85 N -2.53 0.26 -0.21 -1.58 2.47 -1.23 -4.14 119.74 112.79 2hi6 s LYS 85 Ca -0.14 -0.06 -0.11 0.00 -1.56 0.00 0.00 55.97 54.10 2hi6 s LYS 85 Cb 0.07 -1.55 -0.05 0.00 -1.46 0.00 0.00 37.83 34.84 2hi6 s LYS 85 CO 0.78 -0.55 0.19 0.99 0.16 0.00 0.00 175.35 176.92 2hi6 s THR 86 N 2.05 5.36 0.31 3.43 2.01 -1.26 -4.84 115.64 122.70 2hi6 s THR 86 Ca 0.02 0.28 -0.10 0.00 0.31 0.00 0.00 61.69 62.20 2hi6 s THR 86 Cb -0.15 -3.52 -0.07 0.00 0.01 0.00 0.00 72.50 68.76 2hi6 s THR 86 CO -0.07 0.38 0.65 -0.70 -0.69 0.00 0.00 174.62 174.19 2hi6 s GLU 87 N 0.73 3.81 0.28 4.92 -6.30 -1.26 -4.96 118.70 115.92 2hi6 s GLU 87 Ca 0.10 0.37 -0.00 0.00 -2.50 0.00 0.00 54.97 52.93 2hi6 s GLU 87 Cb -0.13 -2.53 0.49 0.00 0.00 0.00 0.00 34.13 31.96 2hi6 s GLU 87 CO 0.02 0.17 1.88 1.15 0.02 0.00 0.00 175.26 178.50 2hi6 h THR 88 N 1.63 1.04 -0.90 -1.70 2.02 -1.99 -0.33 112.91 112.69 2hi6 h THR 88 Ca -0.47 -0.37 0.10 0.00 0.77 0.00 0.00 66.41 66.43 2hi6 h THR 88 Cb 1.18 -0.14 -0.07 0.00 -1.74 0.00 0.00 68.15 67.37 2hi6 h THR 88 CO 0.66 0.20 0.54 0.40 0.37 0.00 0.00 175.52 177.69 2hi6 h ILE 89 N 1.09 0.94 -0.22 3.11 2.04 -1.93 -0.97 117.51 121.57 2hi6 h ILE 89 Ca 0.44 -0.31 -0.16 0.00 1.00 0.00 0.00 64.86 65.82 2hi6 h ILE 89 Cb 0.26 -0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.30 2hi6 h ILE 89 CO -0.19 0.17 -0.50 0.40 0.00 0.00 0.00 178.15 178.03 2hi6 h ILE 90 N 0.91 1.30 -0.36 -0.67 1.08 -1.52 -2.76 117.51 115.49 2hi6 h ILE 90 Ca 0.43 -1.72 0.04 0.00 -0.39 0.00 0.00 64.86 63.22 2hi6 h ILE 90 Cb 0.37 1.82 -0.04 0.00 -3.07 0.00 0.00 36.82 35.90 2hi6 h ILE 90 CO -0.24 0.54 0.14 0.00 -0.69 0.00 0.00 178.15 177.91 2hi6 h ALA 91 N 0.61 0.43 -0.44 1.87 0.00 -0.49 0.83 119.26 122.06 2hi6 h ALA 91 Ca -0.00 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2hi6 h ALA 91 Cb 1.11 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 2hi6 h ALA 91 CO 0.11 -0.24 0.28 0.28 0.00 0.00 0.00 179.25 179.68 2hi6 h VAL 92 N 0.31 1.12 -0.17 0.00 2.07 -1.20 0.12 116.25 118.50 2hi6 h VAL 92 Ca 0.16 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 67.43 2hi6 h VAL 92 Cb 0.11 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.37 2hi6 h VAL 92 CO -0.14 0.12 0.08 1.23 0.02 0.00 0.00 177.57 178.88 2hi6 h GLY 93 N 0.59 0.26 1.72 2.17 0.00 -1.15 -2.35 103.07 104.31 2hi6 h GLY 93 Ca 0.16 -0.13 -0.09 0.00 0.00 0.00 0.00 47.33 47.28 2hi6 h GLY 93 CO -0.03 0.12 -0.29 0.00 0.00 0.00 0.00 176.54 176.34 2hi6 h ALA 94 N 0.96 1.19 -0.37 3.60 0.00 -0.66 -2.12 119.26 121.85 2hi6 h ALA 94 Ca 0.06 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 2hi6 h ALA 94 Cb 0.11 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 2hi6 h ALA 94 CO -0.01 0.53 0.12 0.00 0.00 0.00 0.00 179.25 179.89 2hi6 h ALA 95 N 1.41 0.49 -0.14 0.00 0.00 -0.60 0.23 119.26 120.66 2hi6 h ALA 95 Ca 0.04 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.68 2hi6 h ALA 95 Cb 0.66 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2hi6 h ALA 95 CO 0.05 0.13 -0.40 0.52 0.00 0.00 0.00 179.25 179.54 2hi6 h MET 96 N 0.46 0.31 -0.00 0.00 2.86 -1.24 -2.63 114.93 114.68 2hi6 h MET 96 Ca 0.12 -0.15 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 2hi6 h MET 96 Cb 0.25 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.91 2hi6 h MET 96 CO -0.00 0.67 -0.21 0.00 1.06 0.00 0.00 176.91 178.42 2hi6 n ALA 97 N -2.48 2.92 -3.43 6.32 0.00 -0.82 -4.94 120.51 118.09 2hi6 n ALA 97 Ca -0.01 -0.27 -0.18 0.00 0.00 0.00 0.00 53.44 52.98 2hi6 n ALA 97 Cb 0.48 -1.28 0.09 0.00 0.00 0.00 0.00 19.45 18.74 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 -1.18 -6.70 -3.62 0.00 1.02 -0.04 -4.95 120.64 105.18 2hi6 n GLU 98 Ca 0.10 0.83 -0.39 0.00 -0.02 0.00 0.00 57.16 57.68 2hi6 n GLU 98 Cb 0.31 -5.81 -0.08 0.00 -0.02 0.00 0.00 31.44 25.85 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 -3.35 4.21 -0.22 -3.67 1.01 0.61 -4.97 121.20 114.82 2hi6 s ILE 99 Ca 0.09 -2.87 -0.35 0.00 0.00 0.00 0.00 60.65 57.52 2hi6 s ILE 99 Cb -0.04 -3.69 -0.12 0.00 0.01 0.00 0.00 42.46 38.62 2hi6 s ILE 99 CO 0.72 -0.92 1.99 -2.65 0.00 0.00 0.00 174.94 174.08 2hi6 n PRO 100 N 3.57 1.60 -4.45 2.79 -0.02 -1.26 -4.68 135.00 132.55 2hi6 n PRO 100 Ca 0.10 0.53 -0.21 0.00 -2.02 0.00 0.00 63.50 61.90 2hi6 n PRO 100 Cb 0.40 -2.53 -0.14 0.00 -0.02 0.00 0.00 33.50 31.21 2hi6 n PRO 100 CO 0.00 0.00 0.00 -0.48 1.98 0.00 0.00 175.50 177.00 2hi6 s LEU 101 N 5.46 2.12 0.07 2.45 2.34 -1.26 -2.59 118.68 127.28 2hi6 s LEU 101 Ca 1.00 -0.39 0.02 0.00 0.06 0.00 0.00 54.13 54.82 2hi6 s LEU 101 Cb -0.79 -0.64 -0.03 0.00 -0.56 0.00 0.00 46.19 44.17 2hi6 s LEU 101 CO 0.52 0.08 -0.07 0.68 -1.06 0.00 0.00 176.35 176.50 2hi6 s VAL 102 N -0.68 0.59 -0.13 1.48 -7.23 -1.17 -2.94 120.40 110.32 2hi6 s VAL 102 Ca 0.03 -1.52 -0.06 0.00 -1.81 0.00 0.00 61.98 58.62 2hi6 s VAL 102 Cb -0.07 -1.16 -0.04 0.00 0.56 0.00 0.00 36.38 35.67 2hi6 s VAL 102 CO 0.01 -0.65 0.08 -1.83 -0.31 0.00 0.00 175.10 172.40 2hi6 s GLU 103 N -2.77 3.47 -0.24 4.82 -1.05 -1.08 -1.21 118.70 120.64 2hi6 s GLU 103 Ca 0.01 -0.27 0.01 0.00 -0.15 0.00 0.00 54.97 54.57 2hi6 s GLU 103 Cb -0.02 -3.09 0.06 0.00 -0.44 0.00 0.00 34.13 30.64 2hi6 s GLU 103 CO -0.03 0.61 -0.05 0.14 0.95 0.00 0.00 175.26 176.89 2hi6 s VAL 104 N -0.58 1.59 -1.04 1.83 -7.23 0.18 -2.04 120.40 113.11 2hi6 s VAL 104 Ca 0.11 -1.30 0.06 0.00 -1.81 0.00 0.00 61.98 59.05 2hi6 s VAL 104 Cb -0.12 -1.86 0.30 0.00 0.56 0.00 0.00 36.38 35.26 2hi6 s VAL 104 CO 0.02 -0.13 1.04 -2.11 -0.31 0.00 0.00 175.10 173.61 2hi6 n ARG 105 N 4.64 2.28 -3.40 4.82 0.00 -1.26 -4.10 116.66 119.64 2hi6 n ARG 105 Ca -0.11 -1.16 -0.38 0.00 -0.00 0.00 0.00 57.85 56.19 2hi6 n ARG 105 Cb 0.44 -1.65 -0.08 0.00 -0.00 0.00 0.00 32.46 31.17 2hi6 n ARG 105 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 2hi6 s ASP 106 N -0.48 6.35 0.14 2.89 2.15 -1.26 -4.98 116.67 121.49 2hi6 s ASP 106 Ca 0.20 0.41 -0.09 0.00 0.43 0.00 0.00 52.55 53.51 2hi6 s ASP 106 Cb 0.14 -2.22 -0.03 0.00 -0.30 0.00 0.00 42.92 40.52 2hi6 s ASP 106 CO 0.08 -0.11 1.43 -0.08 -0.17 0.00 0.00 175.17 176.32 2hi6 h GLU 107 N 7.67 0.77 0.00 4.34 4.57 -2.02 -3.24 114.58 126.67 2hi6 h GLU 107 Ca -0.34 -0.50 0.00 0.00 -1.18 0.00 0.00 59.36 57.34 2hi6 h GLU 107 Cb 1.16 0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.81 2hi6 h GLU 107 CO 0.69 1.13 0.00 0.87 -1.18 0.00 0.00 179.01 180.52 2hi6 h LYS 108 N 0.59 0.00 -0.21 1.92 1.57 -1.97 -1.37 116.57 117.10 2hi6 h LYS 108 Ca 0.01 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.83 2hi6 h LYS 108 Cb 1.16 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.43 2hi6 h LYS 108 CO 0.12 0.00 -0.04 0.35 -0.57 0.00 0.00 179.45 179.31 2hi6 h PHE 109 N 0.00 -0.09 0.00 -1.35 3.57 -1.98 -0.01 116.94 117.08 2hi6 h PHE 109 Ca 0.00 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.41 2hi6 h PHE 109 Cb 0.51 0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.30 2hi6 h PHE 109 CO 0.00 -0.08 -0.51 0.74 -2.23 0.00 0.00 178.31 176.24 2hi6 h PHE 110 N 0.02 0.00 -0.38 0.41 -1.00 -1.46 -1.95 116.94 112.58 2hi6 h PHE 110 Ca 0.10 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.84 2hi6 h PHE 110 Cb 0.15 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.69 2hi6 h PHE 110 CO -0.21 0.51 0.07 1.49 -1.61 0.00 0.00 178.31 178.56 2hi6 h GLU 111 N 0.00 0.62 0.00 1.51 4.81 -0.86 -3.34 114.58 117.32 2hi6 h GLU 111 Ca -0.01 -0.16 -0.27 0.00 -0.13 0.00 0.00 59.36 58.79 2hi6 h GLU 111 Cb 1.18 -0.07 -0.05 0.00 0.63 0.00 0.00 28.75 30.43 2hi6 h GLU 111 CO 0.07 0.67 -2.07 0.00 -0.73 0.00 0.00 179.01 176.95 2hi6 n ALA 112 N -2.35 1.75 -1.93 2.92 0.00 -0.06 -4.94 120.51 115.89 2hi6 n ALA 112 Ca -0.01 -1.01 -0.41 0.00 0.00 0.00 0.00 53.44 52.01 2hi6 n ALA 112 Cb 0.22 -0.49 -0.03 0.00 0.00 0.00 0.00 19.45 19.15 2hi6 n ALA 112 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2hi6 s VAL 113 N -2.72 2.90 0.21 0.00 0.11 -0.74 -5.02 120.40 115.15 2hi6 s VAL 113 Ca -0.08 0.75 0.08 0.00 -2.93 0.00 0.00 61.98 59.80 2hi6 s VAL 113 Cb 0.08 -3.48 -0.04 0.00 -1.53 0.00 0.00 36.38 31.41 2hi6 s VAL 113 CO 0.84 0.12 0.02 -0.54 -3.33 0.00 0.00 175.10 172.21 2hi6 s LYS 114 N -0.26 2.43 -0.11 1.54 1.02 -1.26 -4.94 119.74 118.16 2hi6 s LYS 114 Ca 0.58 -1.21 -0.23 0.00 0.02 0.00 0.00 55.97 55.14 2hi6 s LYS 114 Cb -0.39 -2.32 -0.03 0.00 -0.52 0.00 0.00 37.83 34.57 2hi6 s LYS 114 CO 0.41 0.42 0.68 -0.08 -0.92 0.00 0.00 175.35 175.85 2hi6 s THR 115 N -1.98 5.04 0.00 2.17 -1.32 -1.26 -3.97 115.64 114.32 2hi6 s THR 115 Ca 0.29 1.36 0.00 0.00 -1.21 0.00 0.00 61.69 62.14 2hi6 s THR 115 Cb -0.08 -4.01 0.00 0.00 -1.51 0.00 0.00 72.50 66.90 2hi6 s THR 115 CO 0.20 0.21 0.00 0.61 -2.21 0.00 0.00 174.62 173.42 2hi6 n GLY 116 N 3.30 0.86 0.84 6.08 0.00 0.16 -4.93 105.19 111.50 2hi6 n GLY 116 Ca -0.01 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.96 2hi6 n GLY 116 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2hi6 n ASP 117 N 0.00 0.62 -4.62 1.61 8.00 -1.24 -4.81 116.55 116.11 2hi6 n ASP 117 Ca 0.00 -1.35 -0.35 0.00 0.71 0.00 0.00 54.79 53.80 2hi6 n ASP 117 Cb 0.00 -0.08 -0.10 0.00 -0.02 0.00 0.00 41.12 40.92 2hi6 n ASP 117 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 2hi6 s ARG 118 N -2.56 3.96 -0.07 -1.24 3.52 -1.10 -0.49 118.95 120.97 2hi6 s ARG 118 Ca 0.12 -0.34 -0.00 0.00 -0.13 0.00 0.00 55.73 55.37 2hi6 s ARG 118 Cb -0.01 -3.31 0.03 0.00 -1.56 0.00 0.00 34.95 30.09 2hi6 s ARG 118 CO 0.08 0.16 -0.03 0.08 -0.81 0.00 0.00 175.30 174.78 2hi6 s VAL 119 N 0.71 0.54 -0.17 7.11 1.01 -1.09 -1.60 120.40 126.91 2hi6 s VAL 119 Ca 0.05 -0.03 -0.01 0.00 0.00 0.00 0.00 61.98 61.99 2hi6 s VAL 119 Cb -0.13 -0.63 -0.01 0.00 0.00 0.00 0.00 36.38 35.61 2hi6 s VAL 119 CO 0.02 0.27 -0.12 -0.69 0.00 0.00 0.00 175.10 174.57 2hi6 s VAL 120 N 1.58 2.92 -0.21 2.92 1.01 -0.81 -3.07 120.40 124.73 2hi6 s VAL 120 Ca -0.00 -0.68 -0.06 0.00 0.00 0.00 0.00 61.98 61.24 2hi6 s VAL 120 Cb -0.13 -2.26 -0.03 0.00 0.00 0.00 0.00 36.38 33.97 2hi6 s VAL 120 CO -0.04 0.50 0.02 0.54 0.00 0.00 0.00 175.10 176.11 2hi6 s VAL 121 N 0.87 4.05 -0.61 2.92 0.11 -0.36 0.07 120.40 127.44 2hi6 s VAL 121 Ca -0.03 -0.28 -0.12 0.00 -2.93 0.00 0.00 61.98 58.62 2hi6 s VAL 121 Cb -0.15 -2.84 0.16 0.00 -1.53 0.00 0.00 36.38 32.01 2hi6 s VAL 121 CO -0.00 0.41 0.52 0.21 -3.33 0.00 0.00 175.10 172.91 2hi6 s ASN 122 N 1.10 6.09 0.00 3.54 2.47 0.90 -0.99 114.94 128.05 2hi6 s ASN 122 Ca 0.03 -2.22 0.14 0.00 0.42 0.00 0.00 52.86 51.23 2hi6 s ASN 122 Cb -0.14 -2.11 0.73 0.00 -1.45 0.00 0.00 41.25 38.28 2hi6 s ASN 122 CO 0.02 -0.67 1.48 0.00 -3.72 0.00 0.00 177.10 174.21 2hi6 n ALA 123 N 4.56 2.56 -0.11 1.71 0.00 0.43 -0.89 120.51 128.77 2hi6 n ALA 123 Ca -0.01 -0.18 -0.11 0.00 0.00 0.00 0.00 53.44 53.13 2hi6 n ALA 123 Cb 0.42 -1.17 0.02 0.00 0.00 0.00 0.00 19.45 18.72 2hi6 n ALA 123 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 2hi6 h ASP 124 N 0.48 0.92 0.00 0.00 3.58 -1.82 -3.35 116.42 116.23 2hi6 h ASP 124 Ca 0.00 -0.39 -0.03 0.00 0.42 0.00 0.00 57.03 57.04 2hi6 h ASP 124 Cb 0.11 -0.26 -0.00 0.00 1.72 0.00 0.00 39.33 40.89 2hi6 h ASP 124 CO 0.00 1.16 -1.27 -0.62 -2.88 0.00 0.00 179.24 175.63 2hi6 n GLU 125 N -4.07 1.02 -0.55 0.28 -0.58 -1.20 -5.01 120.64 110.54 2hi6 n GLU 125 Ca -0.01 -0.04 0.00 0.00 -0.42 0.00 0.00 57.16 56.69 2hi6 n GLU 125 Cb 0.50 -1.13 0.00 0.00 -0.57 0.00 0.00 31.44 30.25 2hi6 n GLU 125 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2hi6 n GLY 126 N 2.34 0.60 2.92 0.62 0.00 -0.07 -4.33 105.19 107.27 2hi6 n GLY 126 Ca -0.03 -0.58 -0.15 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.36 -0.22 -0.10 1.61 5.04 -0.32 -0.73 117.35 120.26 2hi6 s TYR 127 Ca 0.00 0.63 0.01 0.00 -2.44 0.00 0.00 57.07 55.27 2hi6 s TYR 127 Cb 0.00 -0.13 -0.02 0.00 0.35 0.00 0.00 41.96 42.16 2hi6 s TYR 127 CO 0.00 -0.24 -0.12 0.14 -1.34 0.00 0.00 175.55 173.99 2hi6 s VAL 128 N 1.75 3.19 -0.46 3.14 -7.23 -0.88 -0.07 120.40 119.84 2hi6 s VAL 128 Ca -0.03 -0.64 -0.18 0.00 -1.81 0.00 0.00 61.98 59.32 2hi6 s VAL 128 Cb -0.12 -2.31 0.04 0.00 0.56 0.00 0.00 36.38 34.55 2hi6 s VAL 128 CO -0.07 0.55 0.49 -1.61 -0.31 0.00 0.00 175.10 174.15 2hi6 s GLU 129 N -0.12 3.08 -0.41 4.82 2.02 0.11 -2.23 118.70 125.96 2hi6 s GLU 129 Ca -0.01 -0.90 -0.14 0.00 0.02 0.00 0.00 54.97 53.94 2hi6 s GLU 129 Cb -0.14 -4.04 0.03 0.00 0.10 0.00 0.00 34.13 30.09 2hi6 s GLU 129 CO 0.03 -1.00 0.29 -1.17 0.02 0.00 0.00 175.26 173.44 2hi6 s LEU 130 N 2.19 5.11 -0.13 1.80 2.96 -1.10 -1.93 118.68 127.59 2hi6 s LEU 130 Ca 0.12 -1.02 0.03 0.00 -0.22 0.00 0.00 54.13 53.03 2hi6 s LEU 130 Cb -0.19 -2.13 0.01 0.00 0.50 0.00 0.00 46.19 44.38 2hi6 s LEU 130 CO 0.12 -0.47 -0.22 -0.63 -1.32 0.00 0.00 176.35 173.82 2hi6 s ILE 131 N 1.63 2.05 -2.39 6.68 -1.09 -0.63 -2.84 121.20 124.61 2hi6 s ILE 131 Ca 0.04 -0.98 0.29 0.00 -2.23 0.00 0.00 60.65 57.77 2hi6 s ILE 131 Cb -0.20 -1.80 0.63 0.00 -1.58 0.00 0.00 42.46 39.51 2hi6 s ILE 131 CO 0.08 0.55 1.85 -0.62 -1.23 0.00 0.00 174.94 175.57