#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j5i s ALA 2 N 0.00 -0.24 -0.96 0.00 0.00 -1.26 -5.08 121.76 114.22 1j5i s ALA 2 Ca 0.00 0.01 -0.24 0.00 0.00 0.00 0.00 51.96 51.73 1j5i s ALA 2 Cb 0.00 -1.44 0.00 0.00 0.00 0.00 0.00 23.12 21.68 1j5i s ALA 2 CO 0.00 -1.36 1.69 -1.25 0.00 0.00 0.00 175.76 174.84 1j5i s PRO 3 N 2.32 3.08 0.61 0.00 0.04 -1.26 -4.08 135.00 135.70 1j5i s PRO 3 Ca 0.08 -0.70 0.00 0.00 0.04 0.00 0.00 61.00 60.42 1j5i s PRO 3 Cb -0.15 -5.20 0.00 0.00 0.04 0.00 0.00 34.50 29.18 1j5i s PRO 3 CO -0.19 -2.78 0.00 0.25 0.04 0.00 0.00 177.00 174.32 1j5i n THR 4 N 7.37 0.00 -1.94 1.26 -2.24 -0.86 -4.22 114.28 113.64 1j5i n THR 4 Ca 0.36 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.72 1j5i n THR 4 Cb 0.49 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.69 1j5i n THR 4 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1j5i s ALA 5 N -1.19 3.58 -0.02 6.98 0.00 -1.20 -3.20 121.76 126.70 1j5i s ALA 5 Ca 0.00 0.98 -0.11 0.00 0.00 0.00 0.00 51.96 52.83 1j5i s ALA 5 Cb 0.00 -3.78 0.02 0.00 0.00 0.00 0.00 23.12 19.36 1j5i s ALA 5 CO 0.00 -1.49 0.24 0.95 0.00 0.00 0.00 175.76 175.47 1j5i s THR 6 N 4.26 0.06 0.05 0.00 -4.23 -0.30 -4.30 115.64 111.19 1j5i s THR 6 Ca 0.77 -0.49 -0.30 0.00 -1.18 0.00 0.00 61.69 60.49 1j5i s THR 6 Cb -0.35 -0.52 -0.04 0.00 1.34 0.00 0.00 72.50 72.93 1j5i s THR 6 CO 0.32 -0.27 0.97 -0.69 -0.54 0.00 0.00 174.62 174.41 1j5i s VAL 7 N -1.15 4.71 0.11 2.29 1.01 -1.26 -1.83 120.40 124.27 1j5i s VAL 7 Ca -0.12 2.07 -0.20 0.00 0.00 0.00 0.00 61.98 63.72 1j5i s VAL 7 Cb -0.06 -4.32 -0.05 0.00 0.00 0.00 0.00 36.38 31.96 1j5i s VAL 7 CO 0.03 0.23 1.35 0.41 0.00 0.00 0.00 175.10 177.11 1j5i n THR 8 N 3.43 -0.45 0.00 3.92 -1.04 -0.57 -4.53 114.28 115.04 1j5i n THR 8 Ca 0.04 2.09 0.00 0.00 -2.04 0.00 0.00 64.05 64.15 1j5i n THR 8 Cb 0.50 -2.64 0.00 0.00 -1.82 0.00 0.00 70.33 66.37 1j5i n THR 8 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1j5i n PRO 9 N -4.48 1.23 0.00 -2.82 -0.04 -1.26 -5.06 135.00 122.56 1j5i n PRO 9 Ca 0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 1j5i n PRO 9 Cb 0.17 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.63 1j5i n PRO 9 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1j5i n SER 10 N 0.00 0.00 -4.44 3.54 2.88 -1.26 -4.97 113.62 109.36 1j5i n SER 10 Ca 0.00 0.00 -0.22 0.00 -1.33 0.00 0.00 58.87 57.32 1j5i n SER 10 Cb 0.00 0.02 -0.10 0.00 -0.75 0.00 0.00 64.21 63.37 1j5i n SER 10 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1j5i n SER 11 N -1.79 1.77 0.00 -3.46 7.64 -1.26 -1.81 113.62 114.71 1j5i n SER 11 Ca 0.00 -2.55 0.00 0.00 1.01 0.00 0.00 58.87 57.33 1j5i n SER 11 Cb 0.00 -1.60 0.03 0.00 -1.01 0.00 0.00 64.21 61.63 1j5i n SER 11 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1j5i n GLY 12 N 5.88 -0.73 1.17 0.23 0.00 0.28 -3.83 105.19 108.20 1j5i n GLY 12 Ca 0.43 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.44 1j5i n GLY 12 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1j5i n LEU 13 N -0.52 3.16 -3.59 0.99 4.77 0.62 -4.28 117.00 118.14 1j5i n LEU 13 Ca 0.01 -1.51 -0.27 0.00 -0.03 0.00 0.00 56.01 54.21 1j5i n LEU 13 Cb 0.00 -0.59 -0.10 0.00 -2.33 0.00 0.00 43.42 40.41 1j5i n LEU 13 CO 0.00 0.56 -0.06 -0.24 -1.33 0.00 0.00 177.39 176.32 1j5i n SER 14 N 0.88 2.47 -4.53 -1.43 2.88 -1.25 -5.04 113.62 107.61 1j5i n SER 14 Ca 0.00 -3.12 -0.19 0.00 -1.33 0.00 0.00 58.87 54.24 1j5i n SER 14 Cb 0.43 -0.69 -0.15 0.00 -0.75 0.00 0.00 64.21 63.05 1j5i n SER 14 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1j5i n ASP 15 N 1.64 0.16 0.00 -3.46 5.75 -1.24 0.54 116.55 119.94 1j5i n ASP 15 Ca 0.25 -0.97 0.00 0.00 -0.01 0.00 0.00 54.79 54.06 1j5i n ASP 15 Cb 0.41 -1.09 0.00 0.00 -1.03 0.00 0.00 41.12 39.41 1j5i n ASP 15 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1j5i n GLY 16 N 6.14 1.64 3.60 6.12 0.00 0.17 -4.78 105.19 118.07 1j5i n GLY 16 Ca 0.58 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.19 1j5i n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1j5i s THR 17 N -2.00 4.98 -0.28 2.61 2.01 0.19 -4.72 115.64 118.42 1j5i s THR 17 Ca 0.00 0.84 -0.22 0.00 0.31 0.00 0.00 61.69 62.62 1j5i s THR 17 Cb 0.00 -3.95 -0.01 0.00 0.01 0.00 0.00 72.50 68.55 1j5i s THR 17 CO 0.00 -0.09 0.69 -0.69 -0.69 0.00 0.00 174.62 173.85 1j5i s VAL 18 N 2.52 4.91 0.29 3.82 1.01 -1.26 0.25 120.40 131.93 1j5i s VAL 18 Ca 0.24 1.12 0.05 0.00 0.00 0.00 0.00 61.98 63.38 1j5i s VAL 18 Cb -0.15 -4.03 -0.02 0.00 0.00 0.00 0.00 36.38 32.19 1j5i s VAL 18 CO 0.11 -0.10 0.29 1.33 0.00 0.00 0.00 175.10 176.73 1j5i n VAL 19 N 5.34 0.00 -4.48 2.92 0.24 -0.15 -4.99 118.33 117.21 1j5i n VAL 19 Ca 0.01 -1.93 -0.34 0.00 -2.04 0.00 0.00 64.34 60.05 1j5i n VAL 19 Cb 0.48 1.01 -0.12 0.00 -1.47 0.00 0.00 33.84 33.74 1j5i n VAL 19 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1j5i s LYS 20 N -3.03 3.43 -0.42 7.34 2.20 -1.26 -1.36 119.74 126.63 1j5i s LYS 20 Ca 0.32 -0.53 -0.08 0.00 -0.36 0.00 0.00 55.97 55.31 1j5i s LYS 20 Cb 0.01 -2.82 0.09 0.00 -1.51 0.00 0.00 37.83 33.60 1j5i s LYS 20 CO 0.22 0.35 0.26 0.08 -0.36 0.00 0.00 175.35 175.91 1j5i s VAL 21 N 0.05 4.09 -0.18 4.02 1.01 0.19 -1.50 120.40 128.08 1j5i s VAL 21 Ca -0.01 -1.54 -0.19 0.00 0.00 0.00 0.00 61.98 60.25 1j5i s VAL 21 Cb -0.14 -3.56 -0.03 0.00 0.00 0.00 0.00 36.38 32.65 1j5i s VAL 21 CO 0.03 -0.56 0.55 0.00 0.00 0.00 0.00 175.10 175.12 1j5i s ALA 22 N 1.38 3.52 -0.48 5.51 0.00 -0.76 -0.77 121.76 130.16 1j5i s ALA 22 Ca 0.04 -0.31 -0.02 0.00 0.00 0.00 0.00 51.96 51.66 1j5i s ALA 22 Cb -0.23 -2.84 0.13 0.00 0.00 0.00 0.00 23.12 20.17 1j5i s ALA 22 CO 0.01 -0.40 0.28 0.20 0.00 0.00 0.00 175.76 175.85 1j5i s GLY 23 N 1.08 2.18 -0.29 0.00 0.00 0.15 -1.14 107.32 109.30 1j5i s GLY 23 Ca 0.26 -2.81 -0.14 0.00 0.00 0.00 0.00 44.72 42.03 1j5i s GLY 23 CO 0.10 1.05 0.34 0.00 0.00 0.00 0.00 173.10 174.60 1j5i s ALA 24 N 0.67 3.54 -0.46 3.20 0.00 -1.19 0.15 121.76 127.66 1j5i s ALA 24 Ca 0.12 -0.95 -0.03 0.00 0.00 0.00 0.00 51.96 51.10 1j5i s ALA 24 Cb -0.22 -2.70 0.00 0.00 0.00 0.00 0.00 23.12 20.20 1j5i s ALA 24 CO -0.04 -0.74 0.34 0.41 0.00 0.00 0.00 175.76 175.73 1j5i n GLY 25 N 4.81 0.42 0.00 0.00 0.00 0.12 -2.03 105.19 108.50 1j5i n GLY 25 Ca -0.09 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.53 1j5i n GLY 25 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1j5i n LEU 26 N -1.86 0.00 0.02 0.99 0.00 -0.81 -4.69 117.00 110.65 1j5i n LEU 26 Ca -0.01 0.00 0.19 0.00 0.00 0.00 0.00 56.01 56.20 1j5i n LEU 26 Cb 0.52 0.00 0.46 0.00 0.00 0.00 0.00 43.42 44.40 1j5i n LEU 26 CO 0.20 0.00 1.18 1.56 0.00 0.00 0.00 177.39 180.33 1j5i h GLN 27 N 0.00 0.00 -0.73 1.96 7.50 -1.87 -3.43 115.11 118.53 1j5i h GLN 27 Ca 0.00 0.00 -0.31 0.00 0.50 0.00 0.00 58.65 58.84 1j5i h GLN 27 Cb 0.00 0.00 -0.12 0.00 0.05 0.00 0.00 27.48 27.41 1j5i h GLN 27 CO 0.00 0.00 -0.28 0.00 -1.50 0.00 0.00 178.83 177.05 1j5i n ALA 28 N -2.08 -0.23 0.00 3.87 0.00 -1.26 -1.77 120.51 119.04 1j5i n ALA 28 Ca 0.12 0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.81 1j5i n ALA 28 Cb 1.11 -1.63 0.00 0.00 0.00 0.00 0.00 19.45 18.92 1j5i n ALA 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1j5i n GLY 29 N -1.12 1.20 0.00 0.00 0.00 -0.90 -3.98 105.19 100.39 1j5i n GLY 29 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1j5i n GLY 29 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1j5i n THR 30 N -0.08 0.00 -3.75 2.61 -1.04 -0.73 -4.56 114.28 106.72 1j5i n THR 30 Ca 0.00 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 61.88 1j5i n THR 30 Cb 0.00 -1.62 -0.10 0.00 -1.82 0.00 0.00 70.33 66.79 1j5i n THR 30 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1j5i s ALA 31 N -3.24 -0.83 0.02 2.41 0.00 -1.26 -1.83 121.76 117.03 1j5i s ALA 31 Ca 0.00 0.64 -0.00 0.00 0.00 0.00 0.00 51.96 52.60 1j5i s ALA 31 Cb 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 23.12 22.89 1j5i s ALA 31 CO 0.00 -0.22 0.03 0.66 0.00 0.00 0.00 175.76 176.23 1j5i n TYR 32 N 2.02 -0.62 -3.82 0.00 4.01 -0.07 -4.89 117.16 113.79 1j5i n TYR 32 Ca -0.18 -0.12 -0.35 0.00 -0.16 0.00 0.00 57.90 57.09 1j5i n TYR 32 Cb 0.57 0.03 -0.10 0.00 -0.31 0.00 0.00 39.34 39.54 1j5i n TYR 32 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1j5i s ASP 33 N -1.11 5.86 0.23 7.72 -0.00 -1.14 0.52 116.67 128.76 1j5i s ASP 33 Ca 0.01 0.10 -0.09 0.00 -0.00 0.00 0.00 52.55 52.57 1j5i s ASP 33 Cb -0.00 -2.03 -0.07 0.00 -0.00 0.00 0.00 42.92 40.82 1j5i s ASP 33 CO 0.01 0.12 0.54 0.54 -0.00 0.00 0.00 175.17 176.38 1j5i s VAL 34 N 0.70 4.96 0.00 -1.27 0.11 0.08 -0.08 120.40 124.90 1j5i s VAL 34 Ca 0.06 0.38 0.00 0.00 -2.93 0.00 0.00 61.98 59.49 1j5i s VAL 34 Cb -0.13 -3.63 0.00 0.00 -1.53 0.00 0.00 36.38 31.09 1j5i s VAL 34 CO 0.01 -0.10 0.00 0.61 -3.33 0.00 0.00 175.10 172.30 1j5i n GLY 35 N -0.23 2.55 3.42 6.54 0.00 0.43 -0.38 105.19 117.52 1j5i n GLY 35 Ca -0.00 -0.73 -0.44 0.00 0.00 0.00 0.00 46.02 44.85 1j5i n GLY 35 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1j5i s GLN 36 N -2.00 3.10 0.21 1.61 -0.21 -1.26 -1.23 119.66 119.89 1j5i s GLN 36 Ca 0.00 -1.03 0.07 0.00 0.02 0.00 0.00 55.36 54.42 1j5i s GLN 36 Cb 0.00 -4.16 -0.04 0.00 1.00 0.00 0.00 33.01 29.82 1j5i s GLN 36 CO 0.00 -1.34 0.10 0.00 -2.12 0.00 0.00 175.29 171.94 1j5i n ALA 38 N -0.68 0.00 -1.80 0.00 0.00 -0.59 -1.42 120.51 116.02 1j5i n ALA 38 Ca -0.08 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.94 1j5i n ALA 38 Cb 0.57 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.99 1j5i n ALA 38 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 177.50 179.17 1j5i s TRP 39 N -2.00 1.46 -0.28 0.00 1.48 -1.26 -0.65 118.94 117.69 1j5i s TRP 39 Ca 0.00 0.73 -0.12 0.00 -1.06 0.00 0.00 56.10 55.65 1j5i s TRP 39 Cb 0.00 -3.98 -0.13 0.00 -1.16 0.00 0.00 33.47 28.20 1j5i s TRP 39 CO 0.00 -3.25 -0.33 1.55 -4.06 0.00 0.00 176.95 170.86 1j5i n VAL 40 N 7.60 1.53 -2.69 -0.66 3.14 -0.59 -4.69 118.33 121.97 1j5i n VAL 40 Ca 0.27 -0.41 -0.21 0.00 -2.96 0.00 0.00 64.34 61.03 1j5i n VAL 40 Cb 0.48 -1.82 0.03 0.00 -1.06 0.00 0.00 33.84 31.47 1j5i n VAL 40 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1j5i s ASP 41 N -7.36 5.34 -0.64 6.55 2.15 -1.06 -4.87 116.67 116.78 1j5i s ASP 41 Ca -0.38 -0.04 -0.15 0.00 0.43 0.00 0.00 52.55 52.41 1j5i s ASP 41 Cb 0.14 -0.88 -0.17 0.00 -0.30 0.00 0.00 42.92 41.72 1j5i s ASP 41 CO 0.51 -1.08 1.59 0.41 -0.17 0.00 0.00 175.17 176.42 1j5i n THR 42 N -2.28 0.00 -1.89 1.71 -1.04 -1.26 0.21 114.28 109.73 1j5i n THR 42 Ca 0.08 -0.12 -0.02 0.00 -2.04 0.00 0.00 64.05 61.95 1j5i n THR 42 Cb 0.60 -0.20 -0.00 0.00 -1.82 0.00 0.00 70.33 68.90 1j5i n THR 42 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1j5i n GLY 43 N 3.90 -0.22 3.48 3.41 0.00 -1.26 -4.84 105.19 109.67 1j5i n GLY 43 Ca 0.42 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.05 1j5i n GLY 43 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1j5i s VAL 44 N -1.71 4.89 -0.40 1.61 1.01 0.58 -5.00 120.40 121.38 1j5i s VAL 44 Ca 0.00 -0.29 -0.27 0.00 0.00 0.00 0.00 61.98 61.41 1j5i s VAL 44 Cb 0.00 -3.48 -0.04 0.00 0.00 0.00 0.00 36.38 32.86 1j5i s VAL 44 CO 0.00 0.06 2.13 -0.22 0.00 0.00 0.00 175.10 177.08 1j5i s LEU 45 N 1.66 3.42 -0.05 3.92 2.96 -1.26 -1.53 118.68 127.80 1j5i s LEU 45 Ca 0.05 1.25 0.05 0.00 -0.22 0.00 0.00 54.13 55.26 1j5i s LEU 45 Cb -0.17 -3.02 -0.02 0.00 0.50 0.00 0.00 46.19 43.48 1j5i s LEU 45 CO 0.08 -2.28 -0.20 0.00 -1.32 0.00 0.00 176.35 172.63 1j5i s ALA 46 N 9.42 2.42 0.16 5.97 0.00 0.17 -1.27 121.76 138.63 1j5i s ALA 46 Ca 0.90 -1.03 0.04 0.00 0.00 0.00 0.00 51.96 51.86 1j5i s ALA 46 Cb -0.22 -0.80 -0.04 0.00 0.00 0.00 0.00 23.12 22.07 1j5i s ALA 46 CO 0.29 0.51 0.22 0.00 0.00 0.00 0.00 175.76 176.78 1j5i s ASN 48 N -3.20 4.85 0.08 0.00 0.02 -1.13 0.33 114.94 115.89 1j5i s ASN 48 Ca 0.33 0.83 0.23 0.00 -1.02 0.00 0.00 52.86 53.23 1j5i s ASN 48 Cb -0.11 -1.45 0.92 0.00 0.02 0.00 0.00 41.25 40.64 1j5i s ASN 48 CO 0.26 -1.67 1.71 -0.81 0.02 0.00 0.00 177.10 176.61 1j5i n PRO 49 N -3.15 0.07 -0.43 -0.60 -0.04 -1.23 -2.13 135.00 127.49 1j5i n PRO 49 Ca 0.08 0.19 0.08 0.00 -0.04 0.00 0.00 63.50 63.80 1j5i n PRO 49 Cb 0.60 -1.61 0.27 0.00 -0.04 0.00 0.00 33.50 32.72 1j5i n PRO 49 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1j5i n ALA 50 N -1.59 2.77 1.20 0.55 0.00 -1.26 -4.31 120.51 117.87 1j5i n ALA 50 Ca 0.05 -1.63 0.04 0.00 0.00 0.00 0.00 53.44 51.90 1j5i n ALA 50 Cb 0.28 -0.76 0.13 0.00 0.00 0.00 0.00 19.45 19.10 1j5i n ALA 50 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1j5i n ASP 51 N 0.56 1.36 -4.19 0.00 -0.08 -0.91 -4.53 116.55 108.76 1j5i n ASP 51 Ca 0.20 -1.98 -0.41 0.00 -1.51 0.00 0.00 54.79 51.10 1j5i n ASP 51 Cb 0.74 -0.17 -0.07 0.00 2.34 0.00 0.00 41.12 43.97 1j5i n ASP 51 CO 0.00 0.00 0.00 -0.36 0.12 0.00 0.00 177.20 176.96 1j5i s PHE 52 N -1.67 3.54 -0.41 -0.67 0.08 -1.20 -3.11 117.98 114.55 1j5i s PHE 52 Ca 0.18 -2.41 0.05 0.00 0.12 0.00 0.00 56.93 54.87 1j5i s PHE 52 Cb 0.09 -3.44 0.17 0.00 -0.57 0.00 0.00 43.02 39.26 1j5i s PHE 52 CO 0.12 -0.90 0.47 -1.12 -0.10 0.00 0.00 175.22 173.69 1j5i s SER 53 N 1.33 0.32 0.49 1.36 0.01 0.49 -4.96 113.70 112.73 1j5i s SER 53 Ca 0.17 -1.67 -0.14 0.00 1.31 0.00 0.00 55.95 55.61 1j5i s SER 53 Cb -0.17 0.88 -0.12 0.00 0.21 0.00 0.00 66.02 66.83 1j5i s SER 53 CO -0.05 -0.20 -0.22 -1.54 0.41 0.00 0.00 173.24 171.64 1j5i n SER 54 N 3.88 -3.36 -3.60 2.44 3.41 -1.26 -0.74 113.62 114.39 1j5i n SER 54 Ca 0.15 0.44 -0.11 0.00 -0.26 0.00 0.00 58.87 59.09 1j5i n SER 54 Cb 0.49 -0.66 -0.04 0.00 -0.26 0.00 0.00 64.21 63.74 1j5i n SER 54 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1j5i s VAL 55 N -1.59 0.05 -0.15 -3.33 0.11 0.19 -4.50 120.40 111.17 1j5i s VAL 55 Ca 0.42 -0.47 -0.11 0.00 -2.93 0.00 0.00 61.98 58.89 1j5i s VAL 55 Cb -0.34 -1.17 0.05 0.00 -1.53 0.00 0.00 36.38 33.38 1j5i s VAL 55 CO 0.56 -0.23 0.39 -0.89 -3.33 0.00 0.00 175.10 171.60 1j5i s THR 56 N -3.80 -0.01 -0.19 5.04 2.01 -1.26 -0.90 115.64 116.53 1j5i s THR 56 Ca 0.03 0.05 -0.07 0.00 0.31 0.00 0.00 61.69 62.01 1j5i s THR 56 Cb 0.01 -0.56 -0.04 0.00 0.01 0.00 0.00 72.50 71.92 1j5i s THR 56 CO -0.11 0.02 0.04 0.00 -0.69 0.00 0.00 174.62 173.88 1j5i s ALA 57 N 0.76 3.26 0.98 7.40 0.00 -0.76 -4.13 121.76 129.26 1j5i s ALA 57 Ca -0.04 -0.84 -0.14 0.00 0.00 0.00 0.00 51.96 50.93 1j5i s ALA 57 Cb -0.06 -1.87 -0.01 0.00 0.00 0.00 0.00 23.12 21.19 1j5i s ALA 57 CO -0.05 0.05 0.05 -0.25 0.00 0.00 0.00 175.76 175.56 1j5i n ASP 58 N 3.82 -3.04 -0.67 0.00 10.43 0.13 -2.50 116.55 124.71 1j5i n ASP 58 Ca -0.17 0.25 0.51 0.00 2.57 0.00 0.00 54.79 57.96 1j5i n ASP 58 Cb 0.52 -1.07 0.80 0.00 1.84 0.00 0.00 41.12 43.21 1j5i n ASP 58 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1j5i n ALA 59 N -3.41 1.81 -0.49 2.24 0.00 -1.26 0.36 120.51 119.76 1j5i n ALA 59 Ca 0.04 0.69 -0.14 0.00 0.00 0.00 0.00 53.44 54.03 1j5i n ALA 59 Cb 0.55 -1.13 0.06 0.00 0.00 0.00 0.00 19.45 18.93 1j5i n ALA 59 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1j5i n ASN 60 N -4.04 5.07 -4.42 0.00 2.85 -1.26 -3.66 115.26 109.81 1j5i n ASN 60 Ca 0.44 -2.90 -0.39 0.00 -0.11 0.00 0.00 54.58 51.62 1j5i n ASN 60 Cb 1.95 -0.88 -0.07 0.00 1.24 0.00 0.00 39.78 42.02 1j5i n ASN 60 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1j5i n GLY 61 N 0.12 -0.37 3.23 8.20 0.00 1.13 -4.01 105.19 113.48 1j5i n GLY 61 Ca 0.28 0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.98 1j5i n GLY 61 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1j5i s SER 62 N -3.43 5.98 -0.74 1.61 0.01 -0.95 0.10 113.70 116.28 1j5i s SER 62 Ca 0.69 -2.44 -0.08 0.00 1.31 0.00 0.00 55.95 55.43 1j5i s SER 62 Cb -0.40 -2.05 0.19 0.00 0.21 0.00 0.00 66.02 63.97 1j5i s SER 62 CO 1.00 -0.57 0.62 0.00 0.41 0.00 0.00 173.24 174.69 1j5i s ALA 63 N 0.56 3.86 -1.05 1.44 0.00 0.12 0.19 121.76 126.89 1j5i s ALA 63 Ca 0.13 -3.35 -0.11 0.00 0.00 0.00 0.00 51.96 48.63 1j5i s ALA 63 Cb -0.19 -3.06 0.25 0.00 0.00 0.00 0.00 23.12 20.12 1j5i s ALA 63 CO -0.04 -2.19 1.07 -1.54 0.00 0.00 0.00 175.76 173.06 1j5i s SER 64 N 1.25 7.16 -0.08 0.00 1.04 -1.26 0.30 113.70 122.11 1j5i s SER 64 Ca 0.18 -3.29 0.00 0.00 0.48 0.00 0.00 55.95 53.32 1j5i s SER 64 Cb -0.15 -2.23 -0.03 0.00 0.10 0.00 0.00 66.02 63.71 1j5i s SER 64 CO -0.06 -0.42 -0.06 0.28 0.98 0.00 0.00 173.24 173.96 1j5i s THR 65 N -0.57 3.76 -0.11 2.02 -1.32 0.05 -4.87 115.64 114.60 1j5i s THR 65 Ca 0.29 -0.45 -0.09 0.00 -1.21 0.00 0.00 61.69 60.22 1j5i s THR 65 Cb -0.09 -2.55 -0.04 0.00 -1.51 0.00 0.00 72.50 68.30 1j5i s THR 65 CO -0.08 0.59 0.20 -0.94 -2.21 0.00 0.00 174.62 172.18 1j5i s SER 66 N -0.68 6.45 0.32 8.08 1.04 -1.26 0.57 113.70 128.22 1j5i s SER 66 Ca 0.10 0.54 -0.06 0.00 0.48 0.00 0.00 55.95 57.02 1j5i s SER 66 Cb -0.11 -2.12 0.00 0.00 0.10 0.00 0.00 66.02 63.89 1j5i s SER 66 CO 0.02 0.34 0.49 -0.76 0.98 0.00 0.00 173.24 174.31 1j5i s LEU 67 N -0.77 0.80 -0.11 2.42 2.01 -0.47 -4.92 118.68 117.64 1j5i s LEU 67 Ca 0.16 -1.34 -0.04 0.00 0.01 0.00 0.00 54.13 52.92 1j5i s LEU 67 Cb -0.13 1.60 -0.04 0.00 0.01 0.00 0.00 46.19 47.64 1j5i s LEU 67 CO 0.05 -1.28 0.03 -0.89 1.01 0.00 0.00 176.35 175.27 1j5i s THR 68 N -3.22 4.56 -0.98 5.49 2.01 -1.26 -0.98 115.64 121.26 1j5i s THR 68 Ca 0.28 -0.14 -0.16 0.00 0.31 0.00 0.00 61.69 61.98 1j5i s THR 68 Cb -0.01 -2.96 0.17 0.00 0.01 0.00 0.00 72.50 69.72 1j5i s THR 68 CO 0.17 0.58 1.10 -0.69 -0.69 0.00 0.00 174.62 175.09 1j5i s VAL 69 N -0.62 5.11 -1.35 3.82 1.01 0.70 -4.79 120.40 124.28 1j5i s VAL 69 Ca 0.11 -2.17 -0.09 0.00 0.00 0.00 0.00 61.98 59.83 1j5i s VAL 69 Cb -0.12 -4.72 0.11 0.00 0.00 0.00 0.00 36.38 31.66 1j5i s VAL 69 CO 0.02 -1.39 2.16 0.54 0.00 0.00 0.00 175.10 176.44 1j5i n ARG 70 N 5.41 3.78 -0.63 2.72 5.12 -1.26 0.42 116.66 132.23 1j5i n ARG 70 Ca 0.24 -3.26 0.49 0.00 -1.93 0.00 0.00 57.85 53.39 1j5i n ARG 70 Cb 0.46 -2.88 0.78 0.00 -1.16 0.00 0.00 32.46 29.66 1j5i n ARG 70 CO 0.00 0.00 0.00 -0.09 -1.93 0.00 0.00 177.63 175.61 1j5i h ARG 71 N 5.40 0.01 -5.20 5.56 2.43 -1.78 -3.33 114.38 117.47 1j5i h ARG 71 Ca 0.55 -0.00 -0.62 0.00 -0.81 0.00 0.00 59.98 59.10 1j5i h ARG 71 Cb 0.51 -0.00 -0.16 0.00 -0.42 0.00 0.00 29.97 29.90 1j5i h ARG 71 CO 1.64 0.00 -0.55 0.45 -1.51 0.00 0.00 179.97 180.01 1j5i s SER 72 N -4.06 5.74 0.00 -3.80 0.15 -1.25 -1.22 113.70 109.27 1j5i s SER 72 Ca -0.06 0.07 0.00 0.00 0.70 0.00 0.00 55.95 56.66 1j5i s SER 72 Cb 0.28 -2.00 0.00 0.00 -1.71 0.00 0.00 66.02 62.59 1j5i s SER 72 CO 0.87 0.13 0.00 0.33 1.20 0.00 0.00 173.24 175.77 1j5i n PHE 73 N 3.85 0.00 -2.69 3.44 -0.00 -0.25 -4.90 117.46 116.91 1j5i n PHE 73 Ca -0.16 0.00 -0.43 0.00 -0.00 0.00 0.00 57.45 56.86 1j5i n PHE 73 Cb 0.52 0.00 -0.03 0.00 -0.00 0.00 0.00 39.48 39.97 1j5i n PHE 73 CO 0.00 0.00 0.00 -2.00 -0.00 0.00 0.00 176.76 174.76 1j5i s GLU 74 N -2.00 3.50 0.98 -4.13 2.56 -1.26 -0.63 118.70 117.72 1j5i s GLU 74 Ca 0.00 0.15 -0.12 0.00 0.00 0.00 0.00 54.97 55.00 1j5i s GLU 74 Cb 0.00 -3.99 0.18 0.00 2.00 0.00 0.00 34.13 32.32 1j5i s GLU 74 CO 0.00 -1.51 1.10 0.20 -0.56 0.00 0.00 175.26 174.49 1j5i s GLY 75 N 2.74 1.57 -0.06 -1.50 0.00 0.29 -3.52 107.32 106.84 1j5i s GLY 75 Ca 0.40 -0.38 -0.03 0.00 0.00 0.00 0.00 44.72 44.71 1j5i s GLY 75 CO 0.25 0.22 0.12 -0.12 0.00 0.00 0.00 173.10 173.57 1j5i s PHE 76 N -3.01 -0.10 0.61 1.90 2.19 0.15 -1.43 117.98 118.29 1j5i s PHE 76 Ca 0.65 0.46 -0.19 0.00 0.33 0.00 0.00 56.93 58.18 1j5i s PHE 76 Cb -0.18 -0.27 -0.03 0.00 -1.31 0.00 0.00 43.02 41.23 1j5i s PHE 76 CO 0.57 -0.21 1.24 1.28 1.83 0.00 0.00 175.22 179.93 1j5i n LEU 77 N 4.96 5.43 0.09 6.12 4.32 0.14 -0.69 117.00 137.38 1j5i n LEU 77 Ca -0.11 0.86 0.01 0.00 -0.02 0.00 0.00 56.01 56.74 1j5i n LEU 77 Cb 0.50 -1.53 0.33 0.00 -1.62 0.00 0.00 43.42 41.11 1j5i n LEU 77 CO 0.09 -1.08 0.83 2.19 -1.22 0.00 0.00 177.39 178.20 1j5i h PHE 78 N 0.73 0.31 -0.80 -1.77 -5.15 -1.44 -2.80 116.94 106.02 1j5i h PHE 78 Ca -0.50 -0.05 0.19 0.00 -0.20 0.00 0.00 57.97 57.42 1j5i h PHE 78 Cb 1.34 -0.08 -0.13 0.00 0.22 0.00 0.00 35.95 37.29 1j5i h PHE 78 CO 0.41 0.46 0.11 0.22 -2.00 0.00 0.00 178.31 177.51 1j5i h ASP 79 N 0.27 -0.18 0.00 -0.68 3.58 -1.90 -3.44 116.42 114.06 1j5i h ASP 79 Ca 0.05 0.19 0.00 0.00 0.42 0.00 0.00 57.03 57.69 1j5i h ASP 79 Cb 0.48 0.30 0.00 0.00 1.72 0.00 0.00 39.33 41.83 1j5i h ASP 79 CO 0.03 -0.16 0.00 0.61 -2.88 0.00 0.00 179.24 176.84 1j5i n GLY 80 N -1.40 0.56 3.89 -0.78 0.00 -1.05 -5.14 105.19 101.26 1j5i n GLY 80 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 1j5i n GLY 80 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1j5i s THR 81 N 0.00 4.96 0.06 2.61 2.01 -1.25 -4.91 115.64 119.11 1j5i s THR 81 Ca 0.00 0.25 -0.17 0.00 0.31 0.00 0.00 61.69 62.08 1j5i s THR 81 Cb 0.00 -3.71 -0.06 0.00 0.01 0.00 0.00 72.50 68.73 1j5i s THR 81 CO 0.00 -0.32 0.51 0.00 -0.69 0.00 0.00 174.62 174.11 1j5i s ARG 82 N -3.50 4.07 0.00 4.92 1.70 -1.26 0.29 118.95 125.17 1j5i s ARG 82 Ca 0.46 0.59 0.00 0.00 -0.47 0.00 0.00 55.73 56.31 1j5i s ARG 82 Cb -0.11 -3.20 0.00 0.00 -0.57 0.00 0.00 34.95 31.08 1j5i s ARG 82 CO 0.29 0.64 0.00 1.87 -1.08 0.00 0.00 175.30 177.02 1j5i n TRP 83 N 1.64 0.00 0.00 5.89 -0.00 -0.51 -4.77 117.44 119.69 1j5i n TRP 83 Ca -0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.39 1j5i n TRP 83 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.82 1j5i n TRP 83 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1j5i n GLY 84 N 3.79 -0.48 2.30 5.87 0.00 -0.96 -4.77 105.19 110.95 1j5i n GLY 84 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1j5i n GLY 84 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1j5i n THR 85 N 0.00 0.00 0.00 2.61 -1.04 -1.26 0.11 114.28 114.69 1j5i n THR 85 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1j5i n THR 85 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1j5i n THR 85 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 1j5i n VAL 86 N 0.00 0.00 -1.76 12.58 0.31 0.20 -4.55 118.33 125.10 1j5i n VAL 86 Ca 0.00 0.00 -0.25 0.00 -0.01 0.00 0.00 64.34 64.08 1j5i n VAL 86 Cb 0.00 0.00 -0.05 0.00 -0.91 0.00 0.00 33.84 32.88 1j5i n VAL 86 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 1j5i s ASP 87 N -4.00 4.52 -0.91 4.52 1.11 -1.26 -1.10 116.67 119.55 1j5i s ASP 87 Ca 0.00 0.11 -0.06 0.00 0.18 0.00 0.00 52.55 52.78 1j5i s ASP 87 Cb 0.00 -2.54 -0.05 0.00 1.07 0.00 0.00 42.92 41.40 1j5i s ASP 87 CO 0.00 -3.17 2.10 0.00 1.18 0.00 0.00 175.17 175.28 1j5i n THR 89 N 4.25 0.15 -0.09 0.00 5.66 -1.26 -4.48 114.28 118.52 1j5i n THR 89 Ca 0.44 -0.51 -0.14 0.00 -3.05 0.00 0.00 64.05 60.79 1j5i n THR 89 Cb 0.14 -0.08 -0.08 0.00 -1.55 0.00 0.00 70.33 68.76 1j5i n THR 89 CO 0.00 0.00 0.00 0.74 -3.05 0.00 0.00 175.07 172.76 1j5i h THR 90 N 0.00 0.68 -3.33 1.09 2.02 -1.98 -3.47 112.91 107.91 1j5i h THR 90 Ca 0.00 -1.75 -0.51 0.00 0.77 0.00 0.00 66.41 64.93 1j5i h THR 90 Cb 1.00 1.52 0.00 0.00 -1.74 0.00 0.00 68.15 68.93 1j5i h THR 90 CO 0.00 0.23 -0.05 0.00 0.37 0.00 0.00 175.52 176.06 1j5i s ALA 91 N -2.47 3.54 -0.26 6.16 0.00 -1.26 -5.05 121.76 122.42 1j5i s ALA 91 Ca -0.21 -0.49 -0.20 0.00 0.00 0.00 0.00 51.96 51.06 1j5i s ALA 91 Cb 0.03 -2.41 -0.02 0.00 0.00 0.00 0.00 23.12 20.72 1j5i s ALA 91 CO 0.44 0.10 0.61 0.00 0.00 0.00 0.00 175.76 176.91 1j5i s ALA 92 N -2.24 3.60 -0.23 0.00 0.00 -1.26 -4.84 121.76 116.79 1j5i s ALA 92 Ca 0.46 -0.47 -0.20 0.00 0.00 0.00 0.00 51.96 51.75 1j5i s ALA 92 Cb -0.10 -3.02 -0.02 0.00 0.00 0.00 0.00 23.12 19.98 1j5i s ALA 92 CO 0.32 -0.82 0.60 0.00 0.00 0.00 0.00 175.76 175.87 1j5i s GLN 94 N 2.22 3.89 -0.37 0.00 -0.21 -0.50 -0.29 119.66 124.40 1j5i s GLN 94 Ca 0.26 -0.36 -0.22 0.00 0.02 0.00 0.00 55.36 55.06 1j5i s GLN 94 Cb -0.16 -3.50 0.01 0.00 1.00 0.00 0.00 33.01 30.36 1j5i s GLN 94 CO 0.09 -0.10 0.70 0.08 -2.12 0.00 0.00 175.29 173.94 1j5i s VAL 95 N 1.47 4.82 0.19 1.09 1.01 -0.31 -0.42 120.40 128.25 1j5i s VAL 95 Ca 0.06 0.67 -0.23 0.00 0.00 0.00 0.00 61.98 62.48 1j5i s VAL 95 Cb -0.15 -4.14 0.07 0.00 0.00 0.00 0.00 36.38 32.16 1j5i s VAL 95 CO 0.07 -0.39 0.99 -0.83 0.00 0.00 0.00 175.10 174.93 1j5i s GLY 96 N 1.83 -0.01 -0.11 4.51 0.00 -0.36 -1.72 107.32 111.45 1j5i s GLY 96 Ca 0.27 -0.18 -0.03 0.00 0.00 0.00 0.00 44.72 44.79 1j5i s GLY 96 CO 0.16 1.15 -0.01 0.48 0.00 0.00 0.00 173.10 174.88 1j5i s LEU 97 N -3.18 3.47 0.19 0.66 2.34 -1.26 -0.43 118.68 120.47 1j5i s LEU 97 Ca 0.17 0.05 -0.07 0.00 0.06 0.00 0.00 54.13 54.34 1j5i s LEU 97 Cb -0.02 -1.81 -0.06 0.00 -0.56 0.00 0.00 46.19 43.74 1j5i s LEU 97 CO 0.05 0.30 0.46 -0.94 -1.06 0.00 0.00 176.35 175.15 1j5i s SER 98 N -0.41 6.55 0.44 1.48 1.04 0.89 -4.61 113.70 119.08 1j5i s SER 98 Ca 0.07 0.74 -0.07 0.00 0.48 0.00 0.00 55.95 57.17 1j5i s SER 98 Cb -0.12 -2.15 -0.05 0.00 0.10 0.00 0.00 66.02 63.80 1j5i s SER 98 CO 0.02 -0.01 0.77 -1.81 0.98 0.00 0.00 173.24 173.19 1j5i s ASP 99 N -2.44 6.36 -0.08 7.02 1.01 -1.26 -2.87 116.67 124.42 1j5i s ASP 99 Ca 0.44 0.99 0.09 0.00 0.71 0.00 0.00 52.55 54.78 1j5i s ASP 99 Cb -0.12 -2.27 0.40 0.00 1.01 0.00 0.00 42.92 41.95 1j5i s ASP 99 CO 0.23 -0.50 1.21 0.00 0.21 0.00 0.00 175.17 176.33 1j5i n ALA 100 N -1.85 2.93 0.34 5.23 0.00 -1.26 -3.37 120.51 122.54 1j5i n ALA 100 Ca 0.01 -0.89 0.08 0.00 0.00 0.00 0.00 53.44 52.64 1j5i n ALA 100 Cb 0.55 -1.03 -0.11 0.00 0.00 0.00 0.00 19.45 18.86 1j5i n ALA 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j5i n ALA 101 N 0.46 3.27 -1.16 0.00 0.00 -1.26 -5.00 120.51 116.81 1j5i n ALA 101 Ca 0.14 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.18 1j5i n ALA 101 Cb 0.59 -0.55 0.00 0.00 0.00 0.00 0.00 19.45 19.49 1j5i n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1j5i n GLY 102 N 1.49 0.71 3.60 0.00 0.00 -1.22 -5.10 105.19 104.66 1j5i n GLY 102 Ca -0.00 -0.30 -0.25 0.00 0.00 0.00 0.00 46.02 45.47 1j5i n GLY 102 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1j5i s ASN 103 N -2.27 3.99 -0.45 1.61 0.01 -1.26 -5.07 114.94 111.50 1j5i s ASN 103 Ca 0.00 -1.10 -0.09 0.00 -0.71 0.00 0.00 52.86 50.96 1j5i s ASN 103 Cb 0.00 -0.45 0.10 0.00 0.41 0.00 0.00 41.25 41.31 1j5i s ASN 103 CO 0.00 -0.24 0.31 -0.83 -1.51 0.00 0.00 177.10 174.83 1j5i s GLY 104 N -3.68 2.01 0.67 0.66 0.00 -1.26 -4.23 107.32 101.50 1j5i s GLY 104 Ca 0.34 -2.35 -0.11 0.00 0.00 0.00 0.00 44.72 42.59 1j5i s GLY 104 CO 0.18 1.05 0.74 -1.55 0.00 0.00 0.00 173.10 173.52 1j5i n PRO 105 N 4.93 -1.55 -3.08 2.90 -0.04 -1.26 -4.99 135.00 131.91 1j5i n PRO 105 Ca -0.09 -1.16 -0.42 0.00 -0.04 0.00 0.00 63.50 61.78 1j5i n PRO 105 Cb 0.42 -0.92 -0.06 0.00 -0.04 0.00 0.00 33.50 32.90 1j5i n PRO 105 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1j5i s GLU 106 N -4.65 3.52 0.13 0.54 2.02 -1.26 -5.05 118.70 113.96 1j5i s GLU 106 Ca 0.45 -0.08 0.03 0.00 0.02 0.00 0.00 54.97 55.39 1j5i s GLU 106 Cb -0.03 -3.87 -0.04 0.00 0.10 0.00 0.00 34.13 30.29 1j5i s GLU 106 CO 0.33 -0.89 0.20 0.20 0.02 0.00 0.00 175.26 175.12 1j5i s GLY 107 N 1.91 1.83 -0.50 -1.39 0.00 -1.26 -4.63 107.32 103.29 1j5i s GLY 107 Ca 0.25 -1.05 -0.15 0.00 0.00 0.00 0.00 44.72 43.77 1j5i s GLY 107 CO 0.17 -1.05 0.43 0.54 0.00 0.00 0.00 173.10 173.20 1j5i s VAL 108 N -1.66 5.08 -0.89 1.40 0.11 -0.70 -4.79 120.40 118.95 1j5i s VAL 108 Ca 0.33 -1.35 -0.25 0.00 -2.93 0.00 0.00 61.98 57.78 1j5i s VAL 108 Cb -0.11 -4.17 -0.18 0.00 -1.53 0.00 0.00 36.38 30.39 1j5i s VAL 108 CO 0.26 -0.73 2.25 0.00 -3.33 0.00 0.00 175.10 173.55 1j5i n ALA 109 N 5.18 0.31 -1.89 1.54 0.00 -1.26 -1.16 120.51 123.24 1j5i n ALA 109 Ca -0.13 -1.68 -0.32 0.00 0.00 0.00 0.00 53.44 51.32 1j5i n ALA 109 Cb 0.42 -3.19 -0.03 0.00 0.00 0.00 0.00 19.45 16.64 1j5i n ALA 109 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 1j5i s ILE 110 N 14.83 4.57 0.00 0.00 2.07 0.60 -4.69 121.20 138.57 1j5i s ILE 110 Ca 0.88 1.14 0.00 0.00 -1.41 0.00 0.00 60.65 61.25 1j5i s ILE 110 Cb -0.13 -3.72 0.00 0.00 0.13 0.00 0.00 42.46 38.74 1j5i s ILE 110 CO 0.14 -0.67 0.00 -1.20 -1.91 0.00 0.00 174.94 171.30 1j5i n SER 111 N -1.56 0.00 -3.96 4.50 7.64 -0.75 -3.95 113.62 115.55 1j5i n SER 111 Ca 0.06 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.84 1j5i n SER 111 Cb 0.54 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.63 1j5i n SER 111 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 1j5i s PHE 112 N 0.00 0.21 -2.00 1.43 -0.12 -1.13 0.10 117.98 116.47 1j5i s PHE 112 Ca 0.00 -0.43 0.13 0.00 -0.05 0.00 0.00 56.93 56.58 1j5i s PHE 112 Cb 0.00 -0.16 0.79 0.00 -0.63 0.00 0.00 43.02 43.03 1j5i s PHE 112 CO 0.00 -0.19 1.22 0.27 -0.05 0.00 0.00 175.22 176.47