#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 2.55 0.20 7.34 1.02 -1.26 -2.04 119.74 127.54 2hi6 s LYS 2 Ca 0.00 -1.16 0.08 0.00 0.02 0.00 0.00 55.97 54.92 2hi6 s LYS 2 Cb 0.00 -2.93 -0.04 0.00 -0.52 0.00 0.00 37.83 34.34 2hi6 s LYS 2 CO 0.00 -0.48 -0.02 -0.06 -0.92 0.00 0.00 175.35 173.86 2hi6 s PHE 3 N 1.22 2.75 -0.16 3.18 0.08 -0.88 -5.00 117.98 119.17 2hi6 s PHE 3 Ca -0.04 -0.18 -0.07 0.00 0.12 0.00 0.00 56.93 56.76 2hi6 s PHE 3 Cb -0.18 -1.31 -0.04 0.00 -0.57 0.00 0.00 43.02 40.92 2hi6 s PHE 3 CO -0.05 0.54 0.08 0.00 -0.10 0.00 0.00 175.22 175.69 2hi6 s ALA 4 N -1.88 3.54 0.50 5.36 0.00 -1.26 -1.82 121.76 126.20 2hi6 s ALA 4 Ca 0.28 -0.72 0.00 0.00 0.00 0.00 0.00 51.96 51.52 2hi6 s ALA 4 Cb -0.08 -1.93 0.00 0.00 0.00 0.00 0.00 23.12 21.11 2hi6 s ALA 4 CO 0.18 0.31 0.02 0.00 0.00 0.00 0.00 175.76 176.26 2hi6 s ARG 6 N -3.82 4.02 -0.04 0.00 6.06 0.39 -4.65 118.95 120.91 2hi6 s ARG 6 Ca 0.01 -0.30 -0.30 0.00 -2.50 0.00 0.00 55.73 52.65 2hi6 s ARG 6 Cb -0.00 -3.44 -0.02 0.00 0.06 0.00 0.00 34.95 31.55 2hi6 s ARG 6 CO 0.01 0.10 0.99 0.00 -2.50 0.00 0.00 175.30 173.90 2hi6 s ALA 7 N 0.90 3.26 -0.10 6.12 0.00 -1.26 -0.25 121.76 130.43 2hi6 s ALA 7 Ca 0.06 0.46 -0.05 0.00 0.00 0.00 0.00 51.96 52.44 2hi6 s ALA 7 Cb -0.13 -3.37 -0.05 0.00 0.00 0.00 0.00 23.12 19.57 2hi6 s ALA 7 CO 0.03 -0.38 -0.13 -0.89 0.00 0.00 0.00 175.76 174.38 2hi6 n ILE 8 N 4.16 0.57 -3.03 0.00 2.08 -1.20 -4.95 119.36 117.00 2hi6 n ILE 8 Ca 0.07 -0.15 -0.18 0.00 0.56 0.00 0.00 62.75 63.06 2hi6 n ILE 8 Cb 0.50 -1.64 0.02 0.00 -0.75 0.00 0.00 39.64 37.77 2hi6 n ILE 8 CO 0.00 0.00 0.00 -0.89 0.56 0.00 0.00 176.55 176.22 2hi6 s THR 9 N -2.19 2.78 0.43 1.39 2.01 -0.88 -5.00 115.64 114.18 2hi6 s THR 9 Ca -0.15 -1.01 0.03 0.00 0.31 0.00 0.00 61.69 60.87 2hi6 s THR 9 Cb 0.06 -2.79 -0.03 0.00 0.01 0.00 0.00 72.50 69.75 2hi6 s THR 9 CO 0.18 0.00 0.09 -0.13 -0.69 0.00 0.00 174.62 174.07 2hi6 s ARG 10 N -4.42 1.97 0.13 4.92 0.52 -1.26 -4.37 118.95 116.44 2hi6 s ARG 10 Ca 0.56 -2.21 0.00 0.00 -0.52 0.00 0.00 55.73 53.56 2hi6 s ARG 10 Cb -0.09 -0.88 0.00 0.00 0.52 0.00 0.00 34.95 34.50 2hi6 s ARG 10 CO 0.34 -0.42 0.00 0.41 0.02 0.00 0.00 175.30 175.66 2hi6 n GLY 11 N -0.98 -1.68 3.13 -3.53 0.00 -1.26 -4.66 105.19 96.21 2hi6 n GLY 11 Ca -0.09 -1.95 -0.08 0.00 0.00 0.00 0.00 46.02 43.91 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 0.71 0.08 1.61 1.70 -1.26 0.22 118.95 122.01 2hi6 s ARG 12 Ca 0.00 -1.18 -0.07 0.00 -0.47 0.00 0.00 55.73 54.01 2hi6 s ARG 12 Cb 0.00 0.25 -0.01 0.00 -0.57 0.00 0.00 34.95 34.62 2hi6 s ARG 12 CO 0.00 -0.17 0.15 0.00 -1.08 0.00 0.00 175.30 174.20 2hi6 s ALA 13 N -3.92 -0.12 -0.13 7.88 0.00 0.19 -4.90 121.76 120.77 2hi6 s ALA 13 Ca 0.08 -0.69 -0.18 0.00 0.00 0.00 0.00 51.96 51.18 2hi6 s ALA 13 Cb 0.07 0.44 0.04 0.00 0.00 0.00 0.00 23.12 23.67 2hi6 s ALA 13 CO -0.09 -0.47 0.46 -1.83 0.00 0.00 0.00 175.76 173.83 2hi6 s GLU 14 N -3.77 0.63 0.00 0.00 -1.05 -1.26 -0.51 118.70 112.75 2hi6 s GLU 14 Ca 0.04 0.45 0.00 0.00 -0.15 0.00 0.00 54.97 55.31 2hi6 s GLU 14 Cb 0.05 0.30 0.00 0.00 -0.44 0.00 0.00 34.13 34.04 2hi6 s GLU 14 CO -0.10 -0.12 0.00 0.41 0.95 0.00 0.00 175.26 176.40 2hi6 n GLY 15 N 2.31 -0.05 3.74 -3.83 0.00 -1.11 -4.76 105.19 101.49 2hi6 n GLY 15 Ca -0.16 -1.06 -0.41 0.00 0.00 0.00 0.00 46.02 44.40 2hi6 n GLY 15 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2hi6 s GLU 16 N -2.00 4.54 -0.05 1.61 2.12 -1.26 -2.75 118.70 120.91 2hi6 s GLU 16 Ca 0.00 1.84 -0.29 0.00 0.36 0.00 0.00 54.97 56.88 2hi6 s GLU 16 Cb 0.00 -3.23 -0.02 0.00 0.26 0.00 0.00 34.13 31.14 2hi6 s GLU 16 CO 0.00 0.00 0.96 0.00 -0.54 0.00 0.00 175.26 175.68 2hi6 s ALA 17 N -0.36 3.28 -0.29 6.30 0.00 0.65 -1.29 121.76 130.05 2hi6 s ALA 17 Ca 0.50 0.42 -0.01 0.00 0.00 0.00 0.00 51.96 52.88 2hi6 s ALA 17 Cb -0.32 -3.34 0.05 0.00 0.00 0.00 0.00 23.12 19.51 2hi6 s ALA 17 CO 0.38 -0.37 -0.03 -1.17 0.00 0.00 0.00 175.76 174.56 2hi6 s LEU 18 N 1.41 3.72 -0.12 0.00 2.96 0.10 -0.11 118.68 126.63 2hi6 s LEU 18 Ca 0.49 -1.27 -0.03 0.00 -0.22 0.00 0.00 54.13 53.10 2hi6 s LEU 18 Cb -0.20 -1.67 -0.03 0.00 0.50 0.00 0.00 46.19 44.80 2hi6 s LEU 18 CO 0.23 -0.23 -0.01 -0.69 -1.32 0.00 0.00 176.35 174.33 2hi6 s VAL 19 N 1.22 4.16 -0.14 1.68 1.01 -1.26 -0.33 120.40 126.74 2hi6 s VAL 19 Ca -0.06 -0.28 -0.04 0.00 0.00 0.00 0.00 61.98 61.60 2hi6 s VAL 19 Cb -0.20 -2.79 0.07 0.00 0.00 0.00 0.00 36.38 33.46 2hi6 s VAL 19 CO -0.02 0.54 0.25 0.28 0.00 0.00 0.00 175.10 176.15 2hi6 s THR 20 N -0.24 -0.39 -1.12 3.92 -1.32 -0.61 -4.82 115.64 111.06 2hi6 s THR 20 Ca 0.05 0.20 0.28 0.00 -1.21 0.00 0.00 61.69 61.01 2hi6 s THR 20 Cb -0.12 -0.49 0.25 0.00 -1.51 0.00 0.00 72.50 70.63 2hi6 s THR 20 CO 0.02 0.05 1.83 1.17 -2.21 0.00 0.00 174.62 175.48 2hi6 n LYS 21 N 5.34 0.13 -2.86 7.08 3.00 -1.26 -4.17 118.16 125.42 2hi6 n LYS 21 Ca -0.06 -0.03 -0.36 0.00 -0.00 0.00 0.00 58.31 57.87 2hi6 n LYS 21 Cb 0.50 -1.50 -0.07 0.00 0.00 0.00 0.00 35.03 33.96 2hi6 n LYS 21 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 2hi6 s GLU 22 N -2.89 4.41 0.48 1.64 -6.30 -1.26 -4.79 118.70 109.99 2hi6 s GLU 22 Ca 0.17 1.17 -0.07 0.00 -2.50 0.00 0.00 54.97 53.73 2hi6 s GLU 22 Cb 0.19 -2.63 -0.04 0.00 0.00 0.00 0.00 34.13 31.64 2hi6 s GLU 22 CO 0.55 0.21 0.82 0.71 0.02 0.00 0.00 175.26 177.57 2hi6 s TYR 23 N -1.77 3.55 -0.16 5.30 2.02 -1.26 -4.77 117.35 120.27 2hi6 s TYR 23 Ca 0.52 0.93 -0.08 0.00 -0.37 0.00 0.00 57.07 58.07 2hi6 s TYR 23 Cb -0.15 -2.39 0.06 0.00 -0.40 0.00 0.00 41.96 39.08 2hi6 s TYR 23 CO 0.20 -0.30 0.37 -1.50 -1.57 0.00 0.00 175.55 172.75 2hi6 s ILE 24 N -2.72 -0.16 0.15 2.71 2.07 -0.90 -4.97 121.20 117.38 2hi6 s ILE 24 Ca 0.49 0.13 -0.30 0.00 -1.41 0.00 0.00 60.65 59.56 2hi6 s ILE 24 Cb -0.10 -0.56 -0.07 0.00 0.13 0.00 0.00 42.46 41.86 2hi6 s ILE 24 CO 0.43 0.05 1.08 -0.44 -1.91 0.00 0.00 174.94 174.16 2hi6 s SER 25 N 1.66 7.29 0.52 4.50 0.01 -1.22 -3.77 113.70 122.69 2hi6 s SER 25 Ca -0.07 2.03 0.31 0.00 1.31 0.00 0.00 55.95 59.52 2hi6 s SER 25 Cb -0.10 -2.60 1.07 0.00 0.21 0.00 0.00 66.02 64.60 2hi6 s SER 25 CO -0.12 -0.21 1.88 -0.26 0.41 0.00 0.00 173.24 174.94 2hi6 h PHE 26 N 5.34 0.00 0.22 2.43 -1.00 -1.81 -1.90 116.94 120.22 2hi6 h PHE 26 Ca -0.44 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.33 2hi6 h PHE 26 Cb 1.21 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.77 2hi6 h PHE 26 CO 0.63 0.00 -0.11 1.25 -1.61 0.00 0.00 178.31 178.48 2hi6 h LEU 27 N 0.00 -0.25 -3.55 1.54 7.12 -1.92 -3.35 115.31 114.91 2hi6 h LEU 27 Ca -0.00 0.01 -0.36 0.00 0.13 0.00 0.00 57.88 57.65 2hi6 h LEU 27 Cb 0.66 0.06 -0.24 0.00 -0.53 0.00 0.00 40.66 40.61 2hi6 h LEU 27 CO 0.00 -0.14 -0.25 0.61 -0.13 0.00 0.00 178.44 178.53 2hi6 n GLY 28 N -0.36 5.60 0.03 3.75 0.00 -1.25 -4.63 105.19 108.32 2hi6 n GLY 28 Ca -0.04 -1.89 0.11 0.00 0.00 0.00 0.00 46.02 44.20 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 -0.95 -1.08 3.05 -0.02 0.00 -0.71 -3.46 105.19 102.01 2hi6 n GLY 29 Ca 0.40 -0.47 -0.23 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 -3.49 1.09 0.08 -0.61 1.01 -1.26 0.15 121.20 118.17 2hi6 s ILE 30 Ca -0.07 -0.51 -0.31 0.00 0.00 0.00 0.00 60.65 59.77 2hi6 s ILE 30 Cb 0.13 -0.97 -0.07 0.00 0.01 0.00 0.00 42.46 41.56 2hi6 s ILE 30 CO 0.89 0.33 1.40 -0.62 0.00 0.00 0.00 174.94 176.94 2hi6 s ASP 31 N 0.30 6.83 0.00 3.58 2.15 0.14 -4.81 116.67 124.87 2hi6 s ASP 31 Ca -0.07 2.27 0.28 0.00 0.43 0.00 0.00 52.55 55.46 2hi6 s ASP 31 Cb -0.12 -2.58 1.36 0.00 -0.30 0.00 0.00 42.92 41.28 2hi6 s ASP 31 CO 0.02 -0.67 1.96 2.29 -0.17 0.00 0.00 175.17 178.60 2hi6 n LYS 32 N 4.37 0.27 -0.09 4.34 2.85 -1.26 -1.27 118.16 127.37 2hi6 n LYS 32 Ca 0.12 0.02 -0.13 0.00 -1.05 0.00 0.00 58.31 57.27 2hi6 n LYS 32 Cb 0.43 -1.50 -0.04 0.00 -0.65 0.00 0.00 35.03 33.26 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 -1.36 0.50 0.00 -1.58 1.02 -1.26 -4.66 120.64 113.30 2hi6 n GLU 33 Ca 0.11 0.20 0.09 0.00 -0.02 0.00 0.00 57.16 57.55 2hi6 n GLU 33 Cb 0.26 -1.37 -0.07 0.00 -0.02 0.00 0.00 31.44 30.24 2hi6 n GLU 33 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 2hi6 n THR 34 N -4.33 0.00 -1.42 2.62 -2.24 -1.25 -4.84 114.28 102.83 2hi6 n THR 34 Ca -0.22 -0.13 -0.08 0.00 -2.27 0.00 0.00 64.05 61.35 2hi6 n THR 34 Cb 0.57 1.08 -0.03 0.00 -2.10 0.00 0.00 70.33 69.84 2hi6 n THR 34 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2hi6 n GLY 35 N 1.41 0.84 3.70 3.38 0.00 -0.39 -4.71 105.19 109.42 2hi6 n GLY 35 Ca 0.05 -0.63 -0.41 0.00 0.00 0.00 0.00 46.02 45.03 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 -2.33 4.96 0.01 -0.61 -1.09 -1.26 -1.68 121.20 119.20 2hi6 s ILE 36 Ca 0.00 1.63 -0.30 0.00 -2.23 0.00 0.00 60.65 59.75 2hi6 s ILE 36 Cb 0.00 -4.13 -0.08 0.00 -1.58 0.00 0.00 42.46 36.67 2hi6 s ILE 36 CO 0.00 0.16 1.87 0.68 -1.23 0.00 0.00 174.94 176.42 2hi6 s VAL 37 N 1.26 3.17 -0.06 2.92 -7.23 -1.00 0.28 120.40 119.75 2hi6 s VAL 37 Ca 0.41 0.23 0.01 0.00 -1.81 0.00 0.00 61.98 60.82 2hi6 s VAL 37 Cb -0.18 -3.15 -0.25 0.00 0.56 0.00 0.00 36.38 33.36 2hi6 s VAL 37 CO 0.18 -0.02 0.62 0.11 -0.31 0.00 0.00 175.10 175.68 2hi6 h LYS 38 N 10.19 0.17 -6.56 4.82 1.79 -0.50 -3.32 116.57 123.15 2hi6 h LYS 38 Ca -0.46 -0.28 -0.56 0.00 -2.18 0.00 0.00 60.65 57.17 2hi6 h LYS 38 Cb 1.22 0.11 -0.06 0.00 -1.58 0.00 0.00 32.23 31.91 2hi6 h LYS 38 CO 0.94 0.93 1.02 -2.00 -1.08 0.00 0.00 179.45 179.27 2hi6 s GLU 39 N -2.59 3.52 0.01 3.15 2.12 -1.22 -4.99 118.70 118.69 2hi6 s GLU 39 Ca -0.12 0.54 0.03 0.00 0.36 0.00 0.00 54.97 55.78 2hi6 s GLU 39 Cb 0.07 -4.02 -0.03 0.00 0.26 0.00 0.00 34.13 30.41 2hi6 s GLU 39 CO 0.81 -1.66 -0.06 0.34 -0.54 0.00 0.00 175.26 174.16 2hi6 s ASP 40 N 3.48 4.69 -0.14 -1.70 2.15 -1.26 -4.89 116.67 119.00 2hi6 s ASP 40 Ca 0.51 -0.14 -0.08 0.00 0.43 0.00 0.00 52.55 53.28 2hi6 s ASP 40 Cb -0.10 -1.11 -0.06 0.00 -0.30 0.00 0.00 42.92 41.35 2hi6 s ASP 40 CO 0.29 0.28 -0.20 0.00 -0.17 0.00 0.00 175.17 175.36 2hi6 n GLU 42 N -3.73 0.00 -0.12 0.00 0.28 -1.26 -4.96 120.64 110.86 2hi6 n GLU 42 Ca -0.28 0.00 0.04 0.00 -0.16 0.00 0.00 57.16 56.76 2hi6 n GLU 42 Cb 0.67 0.00 0.10 0.00 1.43 0.00 0.00 31.44 33.64 2hi6 n GLU 42 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 177.13 177.41 2hi6 n ILE 43 N -0.19 1.11 -3.50 3.84 -5.35 -1.26 -5.02 119.36 108.99 2hi6 n ILE 43 Ca 0.00 -1.10 -0.34 0.00 -0.27 0.00 0.00 62.75 61.04 2hi6 n ILE 43 Cb 0.00 0.43 -0.05 0.00 -1.74 0.00 0.00 39.64 38.28 2hi6 n ILE 43 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 2hi6 s LYS 44 N -1.18 3.80 0.00 6.28 1.02 -1.26 -4.61 119.74 123.79 2hi6 s LYS 44 Ca 0.15 0.24 0.00 0.00 0.02 0.00 0.00 55.97 56.38 2hi6 s LYS 44 Cb 0.09 -2.87 0.00 0.00 -0.52 0.00 0.00 37.83 34.53 2hi6 s LYS 44 CO 0.09 0.47 0.00 0.41 -0.92 0.00 0.00 175.35 175.39 2hi6 n GLY 45 N 0.51 -0.90 3.90 -3.33 0.00 -1.25 -4.86 105.19 99.26 2hi6 n GLY 45 Ca -0.04 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.70 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 3.60 0.30 1.61 0.41 -1.26 -4.74 118.70 118.62 2hi6 s GLU 46 Ca 0.00 0.23 -0.10 0.00 -0.41 0.00 0.00 54.97 54.69 2hi6 s GLU 46 Cb 0.00 -2.41 -0.07 0.00 -1.78 0.00 0.00 34.13 29.87 2hi6 s GLU 46 CO 0.00 -0.13 0.64 0.45 -0.49 0.00 0.00 175.26 175.73 2hi6 s SER 47 N -3.82 6.60 -0.01 -0.19 0.15 -1.26 -2.36 113.70 112.81 2hi6 s SER 47 Ca 0.48 1.00 0.17 0.00 0.70 0.00 0.00 55.95 58.30 2hi6 s SER 47 Cb -0.10 -2.26 0.51 0.00 -1.71 0.00 0.00 66.02 62.46 2hi6 s SER 47 CO 0.40 -0.19 1.43 1.33 1.20 0.00 0.00 173.24 177.41 2hi6 n VAL 48 N -0.57 1.10 -2.01 4.45 0.24 -0.68 -4.88 118.33 115.99 2hi6 n VAL 48 Ca 0.01 -1.04 -0.26 0.00 -2.04 0.00 0.00 64.34 61.01 2hi6 n VAL 48 Cb 0.53 0.45 -0.06 0.00 -1.47 0.00 0.00 33.84 33.30 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 -1.12 1.59 0.00 2.33 0.00 -1.24 -2.72 121.76 120.60 2hi6 s ALA 49 Ca 0.39 -1.58 0.00 0.00 0.00 0.00 0.00 51.96 50.77 2hi6 s ALA 49 Cb 0.21 -4.58 0.00 0.00 0.00 0.00 0.00 23.12 18.75 2hi6 s ALA 49 CO 0.25 -5.03 0.00 0.41 0.00 0.00 0.00 175.76 171.39 2hi6 n GLY 50 N 6.64 0.54 0.89 0.00 0.00 -1.03 -4.97 105.19 107.27 2hi6 n GLY 50 Ca 0.42 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.38 2hi6 n GLY 50 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2hi6 n ARG 51 N -1.54 1.27 -4.14 1.61 1.85 -1.10 -4.48 116.66 110.13 2hi6 n ARG 51 Ca 0.00 -0.80 -0.33 0.00 -1.00 0.00 0.00 57.85 55.72 2hi6 n ARG 51 Cb 0.00 0.08 -0.16 0.00 -1.05 0.00 0.00 32.46 31.33 2hi6 n ARG 51 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 2hi6 s ILE 52 N -0.57 2.31 -0.25 8.89 1.01 -0.42 -1.60 121.20 130.57 2hi6 s ILE 52 Ca 0.08 -0.86 -0.09 0.00 0.00 0.00 0.00 60.65 59.78 2hi6 s ILE 52 Cb -0.01 -1.99 -0.04 0.00 0.01 0.00 0.00 42.46 40.44 2hi6 s ILE 52 CO 0.05 0.52 0.11 -0.22 0.00 0.00 0.00 174.94 175.40 2hi6 s LEU 53 N 1.27 3.71 -0.37 2.97 2.96 -1.08 0.01 118.68 128.14 2hi6 s LEU 53 Ca 0.04 -0.09 -0.06 0.00 -0.22 0.00 0.00 54.13 53.80 2hi6 s LEU 53 Cb -0.13 -2.00 0.07 0.00 0.50 0.00 0.00 46.19 44.62 2hi6 s LEU 53 CO -0.10 -0.01 0.15 -0.69 -1.32 0.00 0.00 176.35 174.38 2hi6 s VAL 54 N 1.51 3.65 0.04 1.68 1.01 0.55 -3.46 120.40 125.38 2hi6 s VAL 54 Ca 0.06 -1.46 0.01 0.00 0.00 0.00 0.00 61.98 60.59 2hi6 s VAL 54 Cb -0.15 -3.22 -0.03 0.00 0.00 0.00 0.00 36.38 32.99 2hi6 s VAL 54 CO 0.06 -0.37 -0.06 0.72 0.00 0.00 0.00 175.10 175.44 2hi6 s PHE 55 N 1.32 0.58 0.20 5.22 -0.71 -1.24 -1.58 117.98 121.78 2hi6 s PHE 55 Ca 0.01 -0.59 -0.10 0.00 -1.04 0.00 0.00 56.93 55.21 2hi6 s PHE 55 Cb -0.21 -0.36 0.13 0.00 -1.21 0.00 0.00 43.02 41.37 2hi6 s PHE 55 CO 0.00 -0.14 1.78 -1.35 -1.34 0.00 0.00 175.22 174.18 2hi6 h PRO 56 N 4.27 1.04 0.00 1.99 0.11 -1.86 -3.38 132.00 134.18 2hi6 h PRO 56 Ca -0.35 -0.16 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2hi6 h PRO 56 Cb 1.20 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.12 2hi6 h PRO 56 CO 0.45 0.83 0.00 0.41 -0.21 0.00 0.00 178.00 179.48 2hi6 n GLY 57 N -0.96 -0.52 0.00 -0.55 0.00 -1.26 -3.25 105.19 98.66 2hi6 n GLY 57 Ca 0.06 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 45.15 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 -1.87 1.11 -0.02 0.00 -1.25 -2.11 105.19 101.06 2hi6 n GLY 58 Ca 0.00 0.84 0.00 0.00 0.00 0.00 0.00 46.02 46.86 2hi6 n GLY 58 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2hi6 n LYS 59 N 0.00 -2.96 -2.66 1.61 5.02 -1.26 -3.43 118.16 114.48 2hi6 n LYS 59 Ca 0.00 2.18 -0.43 0.00 -2.02 0.00 0.00 58.31 58.04 2hi6 n LYS 59 Cb 0.00 -2.33 0.00 0.00 -0.02 0.00 0.00 35.03 32.68 2hi6 n LYS 59 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2hi6 n GLY 60 N 0.29 4.12 3.95 0.72 0.00 -1.26 -4.59 105.19 108.42 2hi6 n GLY 60 Ca 0.00 -2.08 -0.27 0.00 0.00 0.00 0.00 46.02 43.67 2hi6 n GLY 60 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2hi6 s SER 61 N 1.70 3.84 0.00 1.61 0.01 -1.26 -4.92 113.70 114.68 2hi6 s SER 61 Ca 0.41 0.14 0.00 0.00 1.31 0.00 0.00 55.95 57.81 2hi6 s SER 61 Cb 0.03 -0.41 0.00 0.00 0.21 0.00 0.00 66.02 65.85 2hi6 s SER 61 CO 0.01 -2.24 1.45 1.07 0.41 0.00 0.00 173.24 173.93 2hi6 n THR 62 N -3.33 1.45 -4.28 1.44 5.66 -1.26 -4.80 114.28 109.16 2hi6 n THR 62 Ca 0.14 -0.31 -0.22 0.00 -3.05 0.00 0.00 64.05 60.61 2hi6 n THR 62 Cb 0.60 -1.28 -0.12 0.00 -1.55 0.00 0.00 70.33 67.97 2hi6 n THR 62 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 2hi6 s VAL 63 N 0.28 1.47 0.00 1.08 0.11 -1.26 -4.88 120.40 117.21 2hi6 s VAL 63 Ca 0.00 -1.40 0.00 0.00 -2.93 0.00 0.00 61.98 57.65 2hi6 s VAL 63 Cb 0.00 -1.35 0.00 0.00 -1.53 0.00 0.00 36.38 33.50 2hi6 s VAL 63 CO 0.00 -0.09 0.00 0.61 -3.33 0.00 0.00 175.10 172.29 2hi6 n GLY 64 N 1.26 2.77 0.12 6.54 0.00 -1.26 -4.43 105.19 110.18 2hi6 n GLY 64 Ca -0.20 -0.37 -0.13 0.00 0.00 0.00 0.00 46.02 45.33 2hi6 n GLY 64 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2hi6 h SER 65 N 0.00 -0.16 -1.51 1.61 0.02 -1.73 -3.35 113.55 108.44 2hi6 h SER 65 Ca 0.00 -0.28 -0.48 0.00 -0.84 0.00 0.00 61.79 60.18 2hi6 h SER 65 Cb 0.00 0.04 0.07 0.00 0.14 0.00 0.00 62.40 62.65 2hi6 h SER 65 CO 0.00 0.21 0.06 -0.72 -1.14 0.00 0.00 176.83 175.24 2hi6 s TYR 66 N -4.65 1.21 0.00 3.45 1.13 -1.26 -3.73 117.35 113.50 2hi6 s TYR 66 Ca -0.15 -0.52 0.00 0.00 -1.41 0.00 0.00 57.07 54.99 2hi6 s TYR 66 Cb 0.02 -2.72 0.00 0.00 -1.10 0.00 0.00 41.96 38.17 2hi6 s TYR 66 CO 0.61 -1.68 0.00 0.28 -2.51 0.00 0.00 175.55 172.25 2hi6 n VAL 67 N -2.71 0.00 -0.26 -3.49 0.31 -1.26 -4.23 118.33 106.69 2hi6 n VAL 67 Ca 0.17 0.00 -0.05 0.00 -0.01 0.00 0.00 64.34 64.45 2hi6 n VAL 67 Cb 0.61 0.00 0.09 0.00 -0.91 0.00 0.00 33.84 33.63 2hi6 n VAL 67 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2hi6 h LEU 68 N 0.00 1.04 -0.85 7.52 4.07 -1.79 -0.14 115.31 125.17 2hi6 h LEU 68 Ca 0.00 -0.17 -0.03 0.00 0.08 0.00 0.00 57.88 57.76 2hi6 h LEU 68 Cb 0.00 -0.27 -0.04 0.00 1.08 0.00 0.00 40.66 41.43 2hi6 h LEU 68 CO 0.00 0.94 0.42 0.25 -1.08 0.00 0.00 178.44 178.97 2hi6 h LEU 69 N 1.09 1.11 -0.90 1.67 5.85 -1.73 -2.55 115.31 119.85 2hi6 h LEU 69 Ca 0.25 -0.13 -0.05 0.00 0.84 0.00 0.00 57.88 58.79 2hi6 h LEU 69 Cb 0.24 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.96 2hi6 h LEU 69 CO -0.02 0.92 0.26 -1.13 -0.34 0.00 0.00 178.44 178.14 2hi6 h ASN 70 N 1.21 0.99 -0.90 1.25 -1.24 -1.65 -1.99 115.58 113.25 2hi6 h ASN 70 Ca 0.29 -0.16 0.04 0.00 0.71 0.00 0.00 56.30 57.19 2hi6 h ASN 70 Cb 0.10 -0.26 -0.06 0.00 0.73 0.00 0.00 38.32 38.84 2hi6 h ASN 70 CO -0.04 0.90 0.58 -0.07 -1.29 0.00 0.00 177.43 177.50 2hi6 h LEU 71 N 1.04 0.94 -0.93 0.34 3.38 -0.66 -1.74 115.31 117.68 2hi6 h LEU 71 Ca 0.24 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.11 2hi6 h LEU 71 Cb 0.24 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 2hi6 h LEU 71 CO -0.02 0.63 -0.25 -0.09 0.09 0.00 0.00 178.44 178.81 2hi6 h ARG 72 N 1.09 0.50 0.00 1.13 2.43 -1.05 0.19 114.38 118.67 2hi6 h ARG 72 Ca 0.37 -0.19 -0.04 0.00 -0.81 0.00 0.00 59.98 59.31 2hi6 h ARG 72 Cb 0.07 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.58 2hi6 h ARG 72 CO -0.14 0.71 -0.20 0.87 -1.51 0.00 0.00 179.97 179.70 2hi6 h LYS 73 N 0.44 0.00 0.00 0.20 1.57 -0.63 -2.38 116.57 115.77 2hi6 h LYS 73 Ca 0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 2hi6 h LYS 73 Cb 0.67 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.98 2hi6 h LYS 73 CO 0.05 0.20 -1.71 -1.71 -0.57 0.00 0.00 179.45 175.71 2hi6 n ASN 74 N -3.67 0.32 0.00 0.86 5.15 -0.96 -4.98 115.26 111.98 2hi6 n ASN 74 Ca -0.01 -0.28 0.00 0.00 -0.60 0.00 0.00 54.58 53.69 2hi6 n ASN 74 Cb 0.32 1.71 0.00 0.00 -0.53 0.00 0.00 39.78 41.28 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 1.34 0.56 1.40 8.20 0.00 0.47 -4.94 105.19 112.21 2hi6 n GLY 75 Ca -0.02 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.05 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 -2.00 1.77 -2.86 1.61 0.24 -0.13 -4.70 118.33 112.26 2hi6 n VAL 76 Ca 0.00 -0.92 -0.34 0.00 -2.04 0.00 0.00 64.34 61.04 2hi6 n VAL 76 Cb 0.00 -0.28 -0.07 0.00 -1.47 0.00 0.00 33.84 32.02 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 -2.12 3.12 0.65 2.33 0.00 -1.08 -3.65 121.76 121.02 2hi6 s ALA 77 Ca 0.37 0.38 -0.16 0.00 0.00 0.00 0.00 51.96 52.55 2hi6 s ALA 77 Cb 0.27 -3.10 -0.00 0.00 0.00 0.00 0.00 23.12 20.29 2hi6 s ALA 77 CO 0.12 0.17 1.13 -2.14 0.00 0.00 0.00 175.76 175.03 2hi6 s PRO 78 N -2.89 2.79 0.01 0.00 0.02 -1.14 -2.46 135.00 131.33 2hi6 s PRO 78 Ca 0.58 1.47 0.03 0.00 0.02 0.00 0.00 61.00 63.11 2hi6 s PRO 78 Cb -0.11 -1.94 -0.25 0.00 0.02 0.00 0.00 34.50 32.22 2hi6 s PRO 78 CO 0.16 -1.27 0.89 0.87 -0.33 0.00 0.00 177.00 177.32 2hi6 h LYS 79 N 0.15 0.12 -2.78 5.54 1.57 -1.51 -3.43 116.57 116.23 2hi6 h LYS 79 Ca -0.47 -0.21 -0.12 0.00 -1.87 0.00 0.00 60.65 57.98 2hi6 h LYS 79 Cb 1.26 0.08 -0.22 0.00 0.08 0.00 0.00 32.23 33.42 2hi6 h LYS 79 CO 0.54 0.92 -0.22 0.00 -0.57 0.00 0.00 179.45 180.12 2hi6 s ALA 80 N -2.63 -0.99 -0.09 3.86 0.00 -1.24 -3.69 121.76 116.97 2hi6 s ALA 80 Ca -0.06 0.90 0.01 0.00 0.00 0.00 0.00 51.96 52.81 2hi6 s ALA 80 Cb 0.08 -0.38 0.02 0.00 0.00 0.00 0.00 23.12 22.84 2hi6 s ALA 80 CO 0.83 -0.23 -0.09 0.42 0.00 0.00 0.00 175.76 176.69 2hi6 s ILE 81 N -0.39 1.05 -0.22 0.00 -1.09 -1.25 -2.65 121.20 116.65 2hi6 s ILE 81 Ca -0.05 -0.36 0.00 0.00 -2.23 0.00 0.00 60.65 58.01 2hi6 s ILE 81 Cb -0.03 -1.02 0.03 0.00 -1.58 0.00 0.00 42.46 39.85 2hi6 s ILE 81 CO 0.02 0.36 -0.13 -0.63 -1.23 0.00 0.00 174.94 173.33 2hi6 s ILE 82 N 1.22 2.41 0.35 2.92 -1.09 -1.22 -3.02 121.20 122.76 2hi6 s ILE 82 Ca -0.04 -1.08 0.09 0.00 -2.23 0.00 0.00 60.65 57.39 2hi6 s ILE 82 Cb -0.14 -2.17 -0.07 0.00 -1.58 0.00 0.00 42.46 38.50 2hi6 s ILE 82 CO -0.03 0.31 -0.08 0.20 -1.23 0.00 0.00 174.94 174.11 2hi6 s ASN 83 N 1.27 3.74 0.22 3.58 -0.87 -1.12 -3.61 114.94 118.16 2hi6 s ASN 83 Ca 0.01 -1.22 0.11 0.00 -1.57 0.00 0.00 52.86 50.19 2hi6 s ASN 83 Cb -0.16 -0.35 0.12 0.00 -0.02 0.00 0.00 41.25 40.84 2hi6 s ASN 83 CO -0.08 -0.23 1.47 0.07 -2.57 0.00 0.00 177.10 175.76 2hi6 h LYS 84 N 2.00 0.00 -3.63 -0.60 5.09 -1.65 0.22 116.57 117.99 2hi6 h LYS 84 Ca -0.42 0.00 -0.32 0.00 0.09 0.00 0.00 60.65 60.00 2hi6 h LYS 84 Cb 1.25 0.00 -0.34 0.00 0.10 0.00 0.00 32.23 33.24 2hi6 h LYS 84 CO 0.72 0.73 -0.74 0.21 -2.09 0.00 0.00 179.45 178.28 2hi6 s LYS 85 N -3.15 0.13 0.35 0.07 2.20 -1.26 -4.39 119.74 113.69 2hi6 s LYS 85 Ca 0.01 0.12 -0.06 0.00 -0.36 0.00 0.00 55.97 55.68 2hi6 s LYS 85 Cb 0.11 -0.35 -0.05 0.00 -1.51 0.00 0.00 37.83 36.03 2hi6 s LYS 85 CO 0.77 -0.14 0.63 0.95 -0.36 0.00 0.00 175.35 177.21 2hi6 s THR 86 N 0.98 4.96 0.06 3.43 -4.23 -1.26 -4.90 115.64 114.68 2hi6 s THR 86 Ca -0.09 0.15 0.08 0.00 -1.18 0.00 0.00 61.69 60.66 2hi6 s THR 86 Cb -0.13 -3.76 -0.03 0.00 1.34 0.00 0.00 72.50 69.92 2hi6 s THR 86 CO -0.02 -0.46 -0.23 -0.70 -0.54 0.00 0.00 174.62 172.67 2hi6 s GLU 87 N -3.86 1.45 0.11 3.99 2.56 -1.26 -5.05 118.70 116.64 2hi6 s GLU 87 Ca 0.46 -1.06 -0.22 0.00 0.00 0.00 0.00 54.97 54.14 2hi6 s GLU 87 Cb -0.10 -1.65 -0.09 0.00 2.00 0.00 0.00 34.13 34.29 2hi6 s GLU 87 CO 0.33 0.41 1.72 1.15 -0.56 0.00 0.00 175.26 178.31 2hi6 h THR 88 N 4.23 0.86 -0.75 -1.70 2.02 -1.98 0.18 112.91 115.76 2hi6 h THR 88 Ca -0.45 0.00 0.03 0.00 0.77 0.00 0.00 66.41 66.76 2hi6 h THR 88 Cb 1.16 0.86 -0.05 0.00 -1.74 0.00 0.00 68.15 68.39 2hi6 h THR 88 CO 0.43 0.00 0.48 0.40 0.37 0.00 0.00 175.52 177.19 2hi6 h ILE 89 N -0.05 1.12 -0.32 3.11 2.04 -1.96 -1.56 117.51 119.89 2hi6 h ILE 89 Ca 0.04 -0.32 -0.14 0.00 1.00 0.00 0.00 64.86 65.44 2hi6 h ILE 89 Cb 0.11 0.10 -0.00 0.00 -0.74 0.00 0.00 36.82 36.28 2hi6 h ILE 89 CO -0.10 0.17 -0.37 0.40 0.00 0.00 0.00 178.15 178.26 2hi6 h ILE 90 N 0.94 1.29 -0.56 -0.67 2.04 -1.67 -2.48 117.51 116.39 2hi6 h ILE 90 Ca 0.30 -1.54 0.01 0.00 1.00 0.00 0.00 64.86 64.63 2hi6 h ILE 90 Cb 0.00 1.53 -0.03 0.00 -0.74 0.00 0.00 36.82 37.59 2hi6 h ILE 90 CO -0.11 0.50 0.37 0.00 0.00 0.00 0.00 178.15 178.91 2hi6 h ALA 91 N 0.72 0.72 -0.42 1.87 0.00 -0.18 0.25 119.26 122.22 2hi6 h ALA 91 Ca 0.04 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2hi6 h ALA 91 Cb 0.95 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 2hi6 h ALA 91 CO 0.09 0.13 0.23 0.28 0.00 0.00 0.00 179.25 179.98 2hi6 h VAL 92 N 0.74 1.15 -0.50 0.00 2.07 -1.27 -0.19 116.25 118.25 2hi6 h VAL 92 Ca 0.21 -0.38 -0.09 0.00 0.82 0.00 0.00 66.70 67.26 2hi6 h VAL 92 Cb -0.06 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 30.34 2hi6 h VAL 92 CO -0.06 0.16 -0.04 1.23 0.02 0.00 0.00 177.57 178.88 2hi6 h GLY 93 N 0.54 0.97 1.01 2.17 0.00 -1.12 -2.49 103.07 104.16 2hi6 h GLY 93 Ca 0.15 -0.75 -0.07 0.00 0.00 0.00 0.00 47.33 46.66 2hi6 h GLY 93 CO -0.02 0.69 0.08 0.00 0.00 0.00 0.00 176.54 177.28 2hi6 h ALA 94 N 0.92 0.73 0.00 3.60 0.00 -0.32 0.14 119.26 124.32 2hi6 h ALA 94 Ca 0.14 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 2hi6 h ALA 94 Cb 0.57 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 2hi6 h ALA 94 CO 0.03 0.48 -0.03 0.00 0.00 0.00 0.00 179.25 179.73 2hi6 h ALA 95 N 0.99 1.91 0.01 0.00 0.00 -0.96 0.25 119.26 121.45 2hi6 h ALA 95 Ca 0.16 -0.03 -0.24 0.00 0.00 0.00 0.00 54.91 54.81 2hi6 h ALA 95 Cb 0.43 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 2hi6 h ALA 95 CO 0.01 0.04 -1.24 0.52 0.00 0.00 0.00 179.25 178.58 2hi6 h MET 96 N 0.00 0.01 -0.64 0.00 2.86 -0.88 -3.31 114.93 112.96 2hi6 h MET 96 Ca -0.00 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 2hi6 h MET 96 Cb 0.05 0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.72 2hi6 h MET 96 CO 0.00 0.85 0.00 0.00 1.06 0.00 0.00 176.91 178.82 2hi6 n ALA 97 N -2.43 3.22 -3.81 6.32 0.00 0.43 -4.91 120.51 119.33 2hi6 n ALA 97 Ca -0.06 -1.38 -0.28 0.00 0.00 0.00 0.00 53.44 51.72 2hi6 n ALA 97 Cb 0.98 -1.05 0.04 0.00 0.00 0.00 0.00 19.45 19.42 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 0.75 -6.08 -3.80 0.00 4.71 -0.67 -4.79 120.64 110.77 2hi6 n GLU 98 Ca 0.22 0.66 -0.33 0.00 -0.01 0.00 0.00 57.16 57.69 2hi6 n GLU 98 Cb 0.85 -5.56 -0.10 0.00 -1.01 0.00 0.00 31.44 25.61 2hi6 n GLU 98 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 2hi6 s ILE 99 N -3.34 3.41 -0.30 -3.67 1.01 0.81 -4.87 121.20 114.26 2hi6 s ILE 99 Ca 0.57 -3.52 -0.28 0.00 0.00 0.00 0.00 60.65 57.42 2hi6 s ILE 99 Cb -0.28 -3.22 -0.03 0.00 0.01 0.00 0.00 42.46 38.94 2hi6 s ILE 99 CO 0.80 -0.93 1.93 -2.16 0.00 0.00 0.00 174.94 174.58 2hi6 s PRO 100 N -0.69 3.27 0.12 2.79 0.04 -1.24 -4.29 135.00 134.99 2hi6 s PRO 100 Ca 0.21 1.61 0.06 0.00 0.04 0.00 0.00 61.00 62.92 2hi6 s PRO 100 Cb -0.16 -4.25 -0.04 0.00 0.04 0.00 0.00 34.50 30.09 2hi6 s PRO 100 CO -0.07 -1.93 -0.02 -0.48 0.04 0.00 0.00 177.00 174.53 2hi6 s LEU 101 N 7.33 3.32 0.13 -3.56 0.05 -1.26 -3.89 118.68 120.80 2hi6 s LEU 101 Ca 0.86 -0.29 0.02 0.00 0.05 0.00 0.00 54.13 54.77 2hi6 s LEU 101 Cb -0.26 -2.05 -0.04 0.00 -2.05 0.00 0.00 46.19 41.79 2hi6 s LEU 101 CO 0.34 0.15 -0.03 0.68 -0.55 0.00 0.00 176.35 176.94 2hi6 s VAL 102 N -1.40 0.64 -0.19 1.48 -7.23 -1.17 -2.06 120.40 110.47 2hi6 s VAL 102 Ca 0.25 -1.95 -0.05 0.00 -1.81 0.00 0.00 61.98 58.42 2hi6 s VAL 102 Cb -0.11 -1.90 -0.03 0.00 0.56 0.00 0.00 36.38 34.91 2hi6 s VAL 102 CO 0.17 -0.67 -0.00 -0.70 -0.31 0.00 0.00 175.10 173.59 2hi6 s GLU 103 N -3.89 3.67 -0.21 4.82 2.12 0.65 -2.78 118.70 123.08 2hi6 s GLU 103 Ca 0.18 -0.50 -0.05 0.00 0.36 0.00 0.00 54.97 54.96 2hi6 s GLU 103 Cb 0.06 -3.05 -0.02 0.00 0.26 0.00 0.00 34.13 31.38 2hi6 s GLU 103 CO -0.01 0.10 -0.01 0.14 -0.54 0.00 0.00 175.26 174.94 2hi6 s VAL 104 N 0.77 3.83 -1.47 3.70 -7.23 0.78 -0.46 120.40 120.33 2hi6 s VAL 104 Ca 0.00 -0.35 0.20 0.00 -1.81 0.00 0.00 61.98 60.02 2hi6 s VAL 104 Cb -0.14 -2.73 0.65 0.00 0.56 0.00 0.00 36.38 34.72 2hi6 s VAL 104 CO 0.02 0.42 1.56 0.54 -0.31 0.00 0.00 175.10 177.33 2hi6 n ARG 105 N 4.39 3.20 -3.93 4.82 1.74 -1.26 -3.85 116.66 121.77 2hi6 n ARG 105 Ca -0.17 -2.73 -0.35 0.00 -0.77 0.00 0.00 57.85 53.83 2hi6 n ARG 105 Cb 0.52 -1.70 -0.13 0.00 -1.02 0.00 0.00 32.46 30.13 2hi6 n ARG 105 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2hi6 s ASP 106 N -0.99 4.95 0.32 0.55 2.15 -1.26 -4.97 116.67 117.42 2hi6 s ASP 106 Ca 0.48 -0.20 0.13 0.00 0.43 0.00 0.00 52.55 53.38 2hi6 s ASP 106 Cb 0.28 -1.86 0.52 0.00 -0.30 0.00 0.00 42.92 41.56 2hi6 s ASP 106 CO 0.28 0.02 1.69 -0.08 -0.17 0.00 0.00 175.17 176.91 2hi6 h GLU 107 N 7.79 0.00 0.00 4.34 4.57 -2.02 -3.05 114.58 126.20 2hi6 h GLU 107 Ca -0.37 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 57.78 2hi6 h GLU 107 Cb 1.17 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.76 2hi6 h GLU 107 CO 0.60 0.51 -0.12 0.87 -1.18 0.00 0.00 179.01 179.69 2hi6 h LYS 108 N 0.00 0.00 -0.12 1.92 1.57 -1.99 -2.38 116.57 115.57 2hi6 h LYS 108 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2hi6 h LYS 108 Cb 0.95 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.25 2hi6 h LYS 108 CO 0.07 0.12 0.08 0.35 -0.57 0.00 0.00 179.45 179.49 2hi6 h PHE 109 N 0.00 0.15 0.00 -1.35 3.57 -1.97 0.01 116.94 117.36 2hi6 h PHE 109 Ca -0.00 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.46 2hi6 h PHE 109 Cb 0.22 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.90 2hi6 h PHE 109 CO 0.00 0.10 -0.20 0.74 -2.23 0.00 0.00 178.31 176.72 2hi6 h PHE 110 N 0.16 0.00 0.00 0.41 0.04 -1.60 0.84 116.94 116.79 2hi6 h PHE 110 Ca 0.04 0.00 -0.15 0.00 2.80 0.00 0.00 57.97 60.66 2hi6 h PHE 110 Cb -0.01 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.12 2hi6 h PHE 110 CO -0.07 0.20 -0.71 1.49 -0.60 0.00 0.00 178.31 178.62 2hi6 h GLU 111 N 0.00 0.00 0.12 1.51 4.81 -1.21 -3.34 114.58 116.47 2hi6 h GLU 111 Ca -0.00 0.00 -0.37 0.00 -0.13 0.00 0.00 59.36 58.86 2hi6 h GLU 111 Cb 0.44 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.81 2hi6 h GLU 111 CO 0.03 0.71 -2.02 0.00 -0.73 0.00 0.00 179.01 177.00 2hi6 n ALA 112 N -2.28 0.91 -1.98 2.92 0.00 -0.06 -4.91 120.51 115.11 2hi6 n ALA 112 Ca 0.01 -0.61 -0.41 0.00 0.00 0.00 0.00 53.44 52.43 2hi6 n ALA 112 Cb 0.82 -0.66 -0.03 0.00 0.00 0.00 0.00 19.45 19.58 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 -2.56 3.15 0.15 0.00 0.11 0.22 -5.02 120.40 116.44 2hi6 s VAL 113 Ca -0.23 0.97 0.10 0.00 -2.93 0.00 0.00 61.98 59.89 2hi6 s VAL 113 Cb 0.07 -3.62 -0.04 0.00 -1.53 0.00 0.00 36.38 31.26 2hi6 s VAL 113 CO 0.76 0.15 -0.24 -0.54 -3.33 0.00 0.00 175.10 171.90 2hi6 s LYS 114 N -0.28 1.37 -0.03 1.54 -0.14 -1.26 -4.91 119.74 116.03 2hi6 s LYS 114 Ca 0.56 -1.37 -0.30 0.00 -1.36 0.00 0.00 55.97 53.50 2hi6 s LYS 114 Cb -0.37 -1.75 -0.05 0.00 -1.68 0.00 0.00 37.83 33.99 2hi6 s LYS 114 CO 0.40 0.40 1.36 0.99 -0.76 0.00 0.00 175.35 177.73 2hi6 s THR 115 N -1.33 3.87 0.00 2.17 2.01 -1.26 -2.47 115.64 118.63 2hi6 s THR 115 Ca 0.15 1.22 0.00 0.00 0.31 0.00 0.00 61.69 63.36 2hi6 s THR 115 Cb -0.09 -3.78 0.00 0.00 0.01 0.00 0.00 72.50 68.64 2hi6 s THR 115 CO 0.07 -0.02 0.00 0.61 -0.69 0.00 0.00 174.62 174.59 2hi6 n GLY 116 N 3.61 0.93 4.02 4.40 0.00 0.85 -4.98 105.19 114.02 2hi6 n GLY 116 Ca 0.13 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.95 2hi6 n GLY 116 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2hi6 s ASP 117 N -2.06 5.00 -0.26 1.61 -1.08 -1.03 -4.82 116.67 114.03 2hi6 s ASP 117 Ca 0.00 -0.67 -0.01 0.00 -0.52 0.00 0.00 52.55 51.36 2hi6 s ASP 117 Cb 0.00 0.08 0.03 0.00 -1.46 0.00 0.00 42.92 41.58 2hi6 s ASP 117 CO 0.00 -1.39 -0.07 -0.60 0.52 0.00 0.00 175.17 173.64 2hi6 s ARG 118 N -4.74 2.68 -0.15 4.34 3.52 -1.26 -0.25 118.95 123.09 2hi6 s ARG 118 Ca 0.62 -1.07 -0.01 0.00 -0.13 0.00 0.00 55.73 55.13 2hi6 s ARG 118 Cb -0.06 -2.98 -0.01 0.00 -1.56 0.00 0.00 34.95 30.33 2hi6 s ARG 118 CO 0.39 -0.45 -0.10 0.08 -0.81 0.00 0.00 175.30 174.41 2hi6 s VAL 119 N 1.28 3.19 -0.24 7.11 1.01 -1.11 -2.81 120.40 128.83 2hi6 s VAL 119 Ca -0.02 -0.60 -0.03 0.00 0.00 0.00 0.00 61.98 61.33 2hi6 s VAL 119 Cb -0.17 -2.37 0.01 0.00 0.00 0.00 0.00 36.38 33.85 2hi6 s VAL 119 CO -0.04 0.50 -0.04 -0.69 0.00 0.00 0.00 175.10 174.83 2hi6 s VAL 120 N 0.57 3.19 -0.20 2.92 1.01 -0.61 -2.75 120.40 124.53 2hi6 s VAL 120 Ca -0.07 -0.75 -0.05 0.00 0.00 0.00 0.00 61.98 61.11 2hi6 s VAL 120 Cb -0.15 -2.54 -0.02 0.00 0.00 0.00 0.00 36.38 33.66 2hi6 s VAL 120 CO 0.03 0.29 -0.01 -0.69 0.00 0.00 0.00 175.10 174.73 2hi6 s VAL 121 N 1.41 3.87 -0.60 2.92 1.01 0.34 -0.37 120.40 128.98 2hi6 s VAL 121 Ca 0.03 -0.34 -0.09 0.00 0.00 0.00 0.00 61.98 61.58 2hi6 s VAL 121 Cb -0.15 -2.75 0.16 0.00 0.00 0.00 0.00 36.38 33.63 2hi6 s VAL 121 CO -0.03 0.43 0.48 0.21 0.00 0.00 0.00 175.10 176.18 2hi6 s ASN 122 N 1.07 5.87 0.53 3.32 2.47 0.45 0.57 114.94 129.23 2hi6 s ASN 122 Ca 0.02 -2.36 0.32 0.00 0.42 0.00 0.00 52.86 51.27 2hi6 s ASN 122 Cb -0.14 -2.03 1.27 0.00 -1.45 0.00 0.00 41.25 38.90 2hi6 s ASN 122 CO 0.01 -0.58 1.94 0.00 -3.72 0.00 0.00 177.10 174.75 2hi6 h ALA 123 N 7.92 1.00 -0.67 1.71 0.00 -0.47 0.23 119.26 128.98 2hi6 h ALA 123 Ca -0.08 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 2hi6 h ALA 123 Cb 1.03 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 2hi6 h ALA 123 CO 0.80 0.00 0.30 0.22 0.00 0.00 0.00 179.25 180.57 2hi6 h ASP 124 N 0.00 0.87 0.31 0.00 3.58 -1.20 -2.67 116.42 117.31 2hi6 h ASP 124 Ca 0.00 -0.10 -0.33 0.00 0.42 0.00 0.00 57.03 57.02 2hi6 h ASP 124 Cb 0.54 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.36 2hi6 h ASP 124 CO 0.00 0.75 -1.75 -0.33 -2.88 0.00 0.00 179.24 175.04 2hi6 h GLU 125 N 0.95 0.24 -1.55 0.28 5.08 -1.77 -3.47 114.58 114.34 2hi6 h GLU 125 Ca 0.23 -0.41 0.00 0.00 -1.00 0.00 0.00 59.36 58.18 2hi6 h GLU 125 Cb 0.13 0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.53 2hi6 h GLU 125 CO -0.03 1.08 0.00 0.41 -1.00 0.00 0.00 179.01 179.47 2hi6 n GLY 126 N 1.79 0.65 2.88 -3.84 0.00 -0.02 -4.50 105.19 102.14 2hi6 n GLY 126 Ca -0.23 -0.38 -0.16 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.43 0.36 -0.09 1.61 5.04 -0.64 0.45 117.35 121.64 2hi6 s TYR 127 Ca 0.00 -0.05 0.04 0.00 -2.44 0.00 0.00 57.07 54.62 2hi6 s TYR 127 Cb 0.00 -0.34 -0.00 0.00 0.35 0.00 0.00 41.96 41.97 2hi6 s TYR 127 CO 0.00 -0.07 -0.24 0.14 -1.34 0.00 0.00 175.55 174.04 2hi6 s VAL 128 N 0.46 2.05 -0.38 3.14 -7.23 -0.76 -0.41 120.40 117.27 2hi6 s VAL 128 Ca -0.05 -1.02 -0.08 0.00 -1.81 0.00 0.00 61.98 59.03 2hi6 s VAL 128 Cb -0.08 -1.76 0.06 0.00 0.56 0.00 0.00 36.38 35.16 2hi6 s VAL 128 CO -0.01 0.56 0.18 -0.70 -0.31 0.00 0.00 175.10 174.82 2hi6 s GLU 129 N 0.28 2.59 -0.40 4.82 2.12 0.50 -2.06 118.70 126.54 2hi6 s GLU 129 Ca -0.17 -1.32 -0.11 0.00 0.36 0.00 0.00 54.97 53.73 2hi6 s GLU 129 Cb -0.17 -3.61 0.05 0.00 0.26 0.00 0.00 34.13 30.66 2hi6 s GLU 129 CO 0.08 -0.80 0.25 -1.17 -0.54 0.00 0.00 175.26 173.08 2hi6 s LEU 130 N 1.41 4.99 -0.39 2.70 2.96 -0.87 -1.57 118.68 127.91 2hi6 s LEU 130 Ca 0.01 -1.22 -0.13 0.00 -0.22 0.00 0.00 54.13 52.56 2hi6 s LEU 130 Cb -0.21 -2.03 0.02 0.00 0.50 0.00 0.00 46.19 44.47 2hi6 s LEU 130 CO 0.02 -0.47 0.26 -0.63 -1.32 0.00 0.00 176.35 174.21 2hi6 s ILE 131 N 1.52 5.04 -2.00 6.68 -1.09 -1.12 -1.69 121.20 128.54 2hi6 s ILE 131 Ca 0.02 -0.65 0.03 0.00 -2.23 0.00 0.00 60.65 57.83 2hi6 s ILE 131 Cb -0.21 -3.77 0.09 0.00 -1.58 0.00 0.00 42.46 36.99 2hi6 s ILE 131 CO 0.05 -0.23 0.67 -0.62 -1.23 0.00 0.00 174.94 173.57