#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j5i n ALA 2 N 0.00 -2.66 0.40 0.00 0.00 -1.26 -4.85 120.51 112.13 1j5i n ALA 2 Ca 0.00 -0.04 0.13 0.00 0.00 0.00 0.00 53.44 53.54 1j5i n ALA 2 Cb 0.00 -1.30 0.44 0.00 0.00 0.00 0.00 19.45 18.59 1j5i n ALA 2 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1j5i h PRO 3 N 0.30 0.00 0.00 0.00 0.13 -1.97 -3.49 132.00 126.98 1j5i h PRO 3 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 1j5i h PRO 3 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1j5i h PRO 3 CO 0.32 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.34 1j5i n THR 4 N -2.61 0.00 -2.53 1.56 -2.24 -0.71 -4.39 114.28 103.36 1j5i n THR 4 Ca 0.03 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.39 1j5i n THR 4 Cb 0.37 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.57 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 -1.75 3.58 -0.02 6.98 0.00 -1.23 -0.68 121.76 128.64 1j5i s ALA 5 Ca 0.00 0.43 -0.05 0.00 0.00 0.00 0.00 51.96 52.34 1j5i s ALA 5 Cb 0.00 -3.55 0.01 0.00 0.00 0.00 0.00 23.12 19.58 1j5i s ALA 5 CO 0.00 -0.94 0.12 0.95 0.00 0.00 0.00 175.76 175.89 1j5i s THR 6 N 2.82 0.04 0.13 0.00 -4.23 -0.23 -3.67 115.64 110.50 1j5i s THR 6 Ca 0.52 -0.36 -0.30 0.00 -1.18 0.00 0.00 61.69 60.36 1j5i s THR 6 Cb -0.21 -0.30 -0.06 0.00 1.34 0.00 0.00 72.50 73.27 1j5i s THR 6 CO 0.15 -0.20 1.07 -0.69 -0.54 0.00 0.00 174.62 174.41 1j5i s VAL 7 N -0.66 4.15 0.16 2.29 1.01 -1.26 -1.88 120.40 124.21 1j5i s VAL 7 Ca -0.07 1.76 -0.31 0.00 0.00 0.00 0.00 61.98 63.35 1j5i s VAL 7 Cb -0.04 -4.12 -0.06 0.00 0.00 0.00 0.00 36.38 32.15 1j5i s VAL 7 CO 0.01 0.25 1.54 0.74 0.00 0.00 0.00 175.10 177.64 1j5i h THR 8 N 4.02 0.00 -0.84 3.92 2.02 -1.58 -3.41 112.91 117.04 1j5i h THR 8 Ca -0.43 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.75 1j5i h THR 8 Cb 1.21 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.63 1j5i h THR 8 CO 0.74 0.00 0.00 -0.81 0.37 0.00 0.00 175.52 175.82 1j5i n PRO 9 N -5.30 0.87 0.00 6.66 -0.04 -1.26 -5.06 135.00 130.87 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 0.29 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.75 1j5i n PRO 9 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1j5i n SER 10 N -0.27 0.46 -3.66 3.54 3.41 -1.26 -4.91 113.62 110.93 1j5i n SER 10 Ca 0.00 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.20 1j5i n SER 10 Cb 0.00 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1j5i n SER 10 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1j5i n SER 11 N -2.16 4.83 0.00 4.04 2.88 -1.26 -1.70 113.62 120.26 1j5i n SER 11 Ca 0.00 -2.82 0.01 0.00 -1.33 0.00 0.00 58.87 54.73 1j5i n SER 11 Cb 0.11 -1.63 0.04 0.00 -0.75 0.00 0.00 64.21 61.99 1j5i n SER 11 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1j5i n GLY 12 N 3.90 -0.55 2.79 0.46 0.00 -0.73 -3.95 105.19 107.11 1j5i n GLY 12 Ca 0.56 -0.01 -0.19 0.00 0.00 0.00 0.00 46.02 46.38 1j5i n GLY 12 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1j5i n LEU 13 N -1.48 3.44 -3.82 0.99 -0.00 -0.37 -4.47 117.00 111.29 1j5i n LEU 13 Ca 0.00 -2.35 -0.19 0.00 -0.00 0.00 0.00 56.01 53.47 1j5i n LEU 13 Cb 0.02 -0.92 -0.17 0.00 -0.00 0.00 0.00 43.42 42.35 1j5i n LEU 13 CO 0.02 -0.04 -0.38 -0.55 -0.00 0.00 0.00 177.39 176.43 1j5i s SER 14 N 4.09 0.80 -0.69 1.45 0.15 -1.25 -5.04 113.70 113.20 1j5i s SER 14 Ca 0.32 -0.05 -0.13 0.00 0.70 0.00 0.00 55.95 56.78 1j5i s SER 14 Cb 0.08 -0.31 -0.20 0.00 -1.71 0.00 0.00 66.02 63.89 1j5i s SER 14 CO 0.00 -0.12 1.66 -0.90 1.20 0.00 0.00 173.24 175.09 1j5i n ASP 15 N 4.38 -0.44 -3.42 5.45 5.75 -1.26 0.28 116.55 127.28 1j5i n ASP 15 Ca -0.21 -0.14 -0.14 0.00 -0.01 0.00 0.00 54.79 54.29 1j5i n ASP 15 Cb 0.50 -0.49 0.01 0.00 -1.03 0.00 0.00 41.12 40.11 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 4.12 -1.24 3.60 6.12 0.00 -0.91 -4.82 105.19 112.06 1j5i n GLY 16 Ca 0.46 0.52 -0.43 0.00 0.00 0.00 0.00 46.02 46.58 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 -3.06 3.56 -0.29 2.61 2.01 0.14 -4.41 115.64 116.20 1j5i s THR 17 Ca 0.07 0.57 -0.21 0.00 0.31 0.00 0.00 61.69 62.43 1j5i s THR 17 Cb -0.02 -3.78 -0.01 0.00 0.01 0.00 0.00 72.50 68.70 1j5i s THR 17 CO 0.82 -0.51 0.66 -0.69 -0.69 0.00 0.00 174.62 174.21 1j5i s VAL 18 N 6.63 4.93 0.05 3.82 1.01 -1.26 0.18 120.40 135.76 1j5i s VAL 18 Ca 0.75 1.02 -0.01 0.00 0.00 0.00 0.00 61.98 63.75 1j5i s VAL 18 Cb -0.20 -4.00 0.00 0.00 0.00 0.00 0.00 36.38 32.18 1j5i s VAL 18 CO 0.33 -0.10 0.08 1.33 0.00 0.00 0.00 175.10 176.74 1j5i n VAL 19 N 5.34 0.00 -4.78 2.92 0.24 -0.64 -5.00 118.33 116.42 1j5i n VAL 19 Ca 0.00 -0.24 -0.33 0.00 -2.04 0.00 0.00 64.34 61.73 1j5i n VAL 19 Cb 0.49 0.16 -0.13 0.00 -1.47 0.00 0.00 33.84 32.89 1j5i n VAL 19 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1j5i s LYS 20 N -2.10 2.82 -0.38 7.34 3.01 -1.26 -1.64 119.74 127.53 1j5i s LYS 20 Ca 0.04 -0.65 -0.05 0.00 -1.01 0.00 0.00 55.97 54.30 1j5i s LYS 20 Cb -0.00 -2.51 0.08 0.00 -1.01 0.00 0.00 37.83 34.38 1j5i s LYS 20 CO 0.03 0.52 0.17 0.08 0.51 0.00 0.00 175.35 176.65 1j5i s VAL 21 N -0.44 3.61 -0.09 3.17 1.01 0.16 -1.31 120.40 126.51 1j5i s VAL 21 Ca 0.06 -1.56 -0.21 0.00 0.00 0.00 0.00 61.98 60.27 1j5i s VAL 21 Cb -0.12 -3.24 -0.04 0.00 0.00 0.00 0.00 36.38 32.98 1j5i s VAL 21 CO 0.02 -0.43 0.60 0.00 0.00 0.00 0.00 175.10 175.29 1j5i s ALA 22 N 1.30 3.40 -0.38 5.51 0.00 -0.79 -0.81 121.76 129.99 1j5i s ALA 22 Ca 0.02 -0.01 -0.10 0.00 0.00 0.00 0.00 51.96 51.87 1j5i s ALA 22 Cb -0.22 -2.81 0.04 0.00 0.00 0.00 0.00 23.12 20.13 1j5i s ALA 22 CO -0.00 -0.05 0.20 0.20 0.00 0.00 0.00 175.76 176.10 1j5i s GLY 23 N 0.72 1.92 -0.42 0.00 0.00 0.20 -1.07 107.32 108.67 1j5i s GLY 23 Ca 0.32 -1.81 -0.20 0.00 0.00 0.00 0.00 44.72 43.04 1j5i s GLY 23 CO 0.15 0.86 0.59 0.00 0.00 0.00 0.00 173.10 174.69 1j5i s ALA 24 N 1.50 3.38 -1.09 3.20 0.00 0.15 -1.21 121.76 127.69 1j5i s ALA 24 Ca 0.01 -1.24 -0.07 0.00 0.00 0.00 0.00 51.96 50.67 1j5i s ALA 24 Cb -0.20 -3.21 0.01 0.00 0.00 0.00 0.00 23.12 19.71 1j5i s ALA 24 CO 0.05 -1.66 0.95 0.41 0.00 0.00 0.00 175.76 175.51 1j5i n GLY 25 N 5.01 -0.26 0.00 0.00 0.00 -0.39 -1.73 105.19 107.81 1j5i n GLY 25 Ca -0.03 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -4.11 0.00 -0.10 0.99 -0.00 -0.83 -4.61 117.00 108.33 1j5i n LEU 26 Ca -0.01 0.00 0.24 0.00 -0.00 0.00 0.00 56.01 56.23 1j5i n LEU 26 Cb 0.56 0.00 0.42 0.00 -0.00 0.00 0.00 43.42 44.40 1j5i n LEU 26 CO 0.52 0.00 1.22 1.56 -0.00 0.00 0.00 177.39 180.69 1j5i h GLN 27 N 0.00 0.00 -5.75 1.96 1.08 -1.89 -3.44 115.11 107.07 1j5i h GLN 27 Ca 0.00 0.00 -0.33 0.00 -1.45 0.00 0.00 58.65 56.87 1j5i h GLN 27 Cb 0.00 0.00 0.15 0.00 -0.05 0.00 0.00 27.48 27.58 1j5i h GLN 27 CO 0.00 0.00 -0.85 0.00 -0.95 0.00 0.00 178.83 177.03 1j5i n ALA 28 N -2.15 -2.33 0.00 3.87 0.00 -1.26 -1.80 120.51 116.84 1j5i n ALA 28 Ca 0.18 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1j5i n ALA 28 Cb 1.35 -4.17 0.00 0.00 0.00 0.00 0.00 19.45 16.63 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 -1.36 2.95 0.00 0.00 0.00 -1.04 -4.68 105.19 101.06 1j5i n GLY 29 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.43 0.00 -3.68 2.61 -1.04 -0.74 -4.44 114.28 106.56 1j5i n THR 30 Ca 0.00 0.00 -0.10 0.00 -2.04 0.00 0.00 64.05 61.91 1j5i n THR 30 Cb 0.00 -0.49 -0.10 0.00 -1.82 0.00 0.00 70.33 67.92 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 -2.53 -1.23 0.00 2.41 0.00 -1.26 -1.64 121.76 117.51 1j5i s ALA 31 Ca 0.00 1.71 0.00 0.00 0.00 0.00 0.00 51.96 53.67 1j5i s ALA 31 Cb 0.00 -1.06 0.00 0.00 0.00 0.00 0.00 23.12 22.06 1j5i s ALA 31 CO 0.00 -0.33 0.00 0.66 0.00 0.00 0.00 175.76 176.09 1j5i n TYR 32 N 4.36 0.00 -4.05 0.00 4.02 -0.02 -4.69 117.16 116.78 1j5i n TYR 32 Ca -0.22 0.00 -0.33 0.00 -0.01 0.00 0.00 57.90 57.34 1j5i n TYR 32 Cb 0.55 0.00 -0.15 0.00 -0.02 0.00 0.00 39.34 39.72 1j5i n TYR 32 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1j5i s ASP 33 N -0.53 3.72 0.47 7.72 -1.08 0.11 -0.95 116.67 126.12 1j5i s ASP 33 Ca 0.00 -0.75 -0.20 0.00 -0.52 0.00 0.00 52.55 51.07 1j5i s ASP 33 Cb 0.00 -1.57 -0.09 0.00 -1.46 0.00 0.00 42.92 39.80 1j5i s ASP 33 CO 0.00 -0.05 1.00 -0.69 0.52 0.00 0.00 175.17 175.94 1j5i s VAL 34 N 1.30 4.08 0.00 1.11 1.01 0.13 0.30 120.40 128.33 1j5i s VAL 34 Ca 0.02 1.27 0.00 0.00 0.00 0.00 0.00 61.98 63.28 1j5i s VAL 34 Cb -0.15 -3.52 0.00 0.00 0.00 0.00 0.00 36.38 32.71 1j5i s VAL 34 CO -0.09 -0.31 0.00 0.61 0.00 0.00 0.00 175.10 175.32 1j5i n GLY 35 N -0.51 2.34 3.43 4.51 0.00 0.10 0.28 105.19 115.34 1j5i n GLY 35 Ca 0.08 -0.37 -0.44 0.00 0.00 0.00 0.00 46.02 45.29 1j5i n GLY 35 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1j5i s GLN 36 N -1.85 3.98 0.22 1.61 -2.07 -1.24 -1.26 119.66 119.05 1j5i s GLN 36 Ca 0.00 -2.53 -0.07 0.00 -1.82 0.00 0.00 55.36 50.94 1j5i s GLN 36 Cb 0.00 -4.89 -0.06 0.00 -1.09 0.00 0.00 33.01 26.96 1j5i s GLN 36 CO 0.00 -1.64 0.50 0.00 -1.32 0.00 0.00 175.29 172.83 1j5i s ALA 38 N -1.86 -1.96 -0.14 0.00 0.00 -0.69 -1.19 121.76 115.93 1j5i s ALA 38 Ca 0.44 0.30 -0.29 0.00 0.00 0.00 0.00 51.96 52.41 1j5i s ALA 38 Cb -0.11 0.55 -0.01 0.00 0.00 0.00 0.00 23.12 23.55 1j5i s ALA 38 CO 0.25 -1.06 1.15 -1.58 0.00 0.00 0.00 175.76 174.52 1j5i s TRP 39 N -2.68 3.17 -0.26 0.00 0.51 -1.26 -0.39 118.94 118.03 1j5i s TRP 39 Ca 0.15 1.27 -0.11 0.00 -2.12 0.00 0.00 56.10 55.29 1j5i s TRP 39 Cb 0.01 -3.37 -0.11 0.00 -0.81 0.00 0.00 33.47 29.19 1j5i s TRP 39 CO -0.00 -1.06 -0.32 1.55 -0.51 0.00 0.00 176.95 176.61 1j5i n VAL 40 N 4.99 1.40 -0.95 4.03 3.14 -0.66 -4.86 118.33 125.43 1j5i n VAL 40 Ca 0.12 -0.37 0.00 0.00 -2.96 0.00 0.00 64.34 61.12 1j5i n VAL 40 Cb 0.46 -1.80 0.00 0.00 -1.06 0.00 0.00 33.84 31.44 1j5i n VAL 40 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 1j5i n ASP 41 N -4.06 0.00 -4.54 6.55 4.64 -1.16 -4.96 116.55 113.03 1j5i n ASP 41 Ca -0.50 0.00 -0.41 0.00 -1.38 0.00 0.00 54.79 52.50 1j5i n ASP 41 Cb 0.87 0.00 -0.03 0.00 -1.04 0.00 0.00 41.12 40.92 1j5i n ASP 41 CO 0.00 0.00 0.00 -0.89 -0.82 0.00 0.00 177.20 175.49 1j5i s THR 42 N 0.96 4.01 0.00 5.18 2.01 -1.26 -3.65 115.64 122.88 1j5i s THR 42 Ca 0.00 -0.67 0.00 0.00 0.31 0.00 0.00 61.69 61.33 1j5i s THR 42 Cb 0.00 -4.99 0.00 0.00 0.01 0.00 0.00 72.50 67.52 1j5i s THR 42 CO 0.00 -1.86 0.00 0.61 -0.69 0.00 0.00 174.62 172.68 1j5i n GLY 43 N 6.44 0.38 3.51 4.40 0.00 -1.26 -4.97 105.19 113.69 1j5i n GLY 43 Ca 0.26 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.87 5.10 -0.16 1.61 1.01 -1.24 -5.03 120.40 119.83 1j5i s VAL 44 Ca 0.00 -0.14 -0.29 0.00 0.00 0.00 0.00 61.98 61.54 1j5i s VAL 44 Cb 0.00 -3.96 -0.02 0.00 0.00 0.00 0.00 36.38 32.40 1j5i s VAL 44 CO 0.00 -0.30 1.26 -0.22 0.00 0.00 0.00 175.10 175.84 1j5i s LEU 45 N 2.14 4.19 0.02 3.92 2.96 -1.26 -1.65 118.68 128.99 1j5i s LEU 45 Ca 0.13 1.70 0.04 0.00 -0.22 0.00 0.00 54.13 55.78 1j5i s LEU 45 Cb -0.17 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 42.97 1j5i s LEU 45 CO 0.13 -0.75 -0.13 0.00 -1.32 0.00 0.00 176.35 174.28 1j5i s ALA 46 N 3.38 1.09 0.09 5.97 0.00 0.47 0.50 121.76 133.26 1j5i s ALA 46 Ca 0.55 -0.68 0.06 0.00 0.00 0.00 0.00 51.96 51.88 1j5i s ALA 46 Cb -0.22 -0.22 -0.04 0.00 0.00 0.00 0.00 23.12 22.65 1j5i s ALA 46 CO 0.15 0.23 -0.05 0.00 0.00 0.00 0.00 175.76 176.09 1j5i s ASN 48 N -2.21 4.34 0.00 0.00 0.02 -1.26 -0.20 114.94 115.64 1j5i s ASN 48 Ca 0.23 0.51 0.22 0.00 -1.02 0.00 0.00 52.86 52.80 1j5i s ASN 48 Cb -0.11 -0.96 0.92 0.00 0.02 0.00 0.00 41.25 41.12 1j5i s ASN 48 CO 0.16 -1.96 1.69 -0.81 0.02 0.00 0.00 177.10 176.20 1j5i n PRO 49 N -3.24 0.00 -0.45 -0.60 -0.04 -1.26 -2.08 135.00 127.32 1j5i n PRO 49 Ca 0.10 0.13 0.09 0.00 -0.04 0.00 0.00 63.50 63.78 1j5i n PRO 49 Cb 0.60 -1.50 0.29 0.00 -0.04 0.00 0.00 33.50 32.85 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 -1.50 2.75 0.97 0.55 0.00 -1.26 -4.23 120.51 117.79 1j5i n ALA 50 Ca 0.05 -1.54 0.06 0.00 0.00 0.00 0.00 53.44 52.01 1j5i n ALA 50 Cb 0.25 -0.82 0.18 0.00 0.00 0.00 0.00 19.45 19.06 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 0.86 1.77 -4.21 0.00 2.03 -0.89 -4.43 116.55 111.68 1j5i n ASP 51 Ca 0.22 -1.96 -0.41 0.00 0.52 0.00 0.00 54.79 53.16 1j5i n ASP 51 Cb 0.74 -0.21 -0.08 0.00 -0.72 0.00 0.00 41.12 40.85 1j5i n ASP 51 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 1j5i s PHE 52 N -1.58 3.44 -0.44 -0.67 0.08 -1.18 -3.12 117.98 114.51 1j5i s PHE 52 Ca 0.24 -1.92 0.05 0.00 0.12 0.00 0.00 56.93 55.42 1j5i s PHE 52 Cb 0.12 -3.51 0.18 0.00 -0.57 0.00 0.00 43.02 39.24 1j5i s PHE 52 CO 0.17 -0.99 0.45 0.45 -0.10 0.00 0.00 175.22 175.21 1j5i n SER 53 N 4.77 -1.17 -4.68 1.36 2.88 0.14 -4.93 113.62 112.00 1j5i n SER 53 Ca -0.06 -2.54 -0.46 0.00 -1.33 0.00 0.00 58.87 54.49 1j5i n SER 53 Cb 0.41 0.02 -0.04 0.00 -0.75 0.00 0.00 64.21 63.85 1j5i n SER 53 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1j5i n SER 54 N 2.73 3.44 -3.64 -3.46 3.41 -1.26 0.18 113.62 115.01 1j5i n SER 54 Ca 0.26 1.03 -0.10 0.00 -0.26 0.00 0.00 58.87 59.80 1j5i n SER 54 Cb 0.51 -1.45 -0.04 0.00 -0.26 0.00 0.00 64.21 62.97 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 2.08 0.05 0.09 -3.33 0.11 -0.12 -4.87 120.40 114.41 1j5i s VAL 55 Ca 0.83 -0.58 0.08 0.00 -2.93 0.00 0.00 61.98 59.38 1j5i s VAL 55 Cb -0.63 -1.26 -0.03 0.00 -1.53 0.00 0.00 36.38 32.93 1j5i s VAL 55 CO 0.41 -0.23 -0.21 0.28 -3.33 0.00 0.00 175.10 172.02 1j5i s THR 56 N -3.82 1.71 -0.03 5.04 -1.32 -1.26 -0.84 115.64 115.12 1j5i s THR 56 Ca 0.05 -1.46 -0.16 0.00 -1.21 0.00 0.00 61.69 58.91 1j5i s THR 56 Cb 0.01 -1.54 -0.05 0.00 -1.51 0.00 0.00 72.50 69.41 1j5i s THR 56 CO -0.10 0.01 0.43 0.00 -2.21 0.00 0.00 174.62 172.75 1j5i s ALA 57 N -1.07 3.64 0.87 11.08 0.00 -0.65 -4.51 121.76 131.12 1j5i s ALA 57 Ca 0.07 -0.20 -0.10 0.00 0.00 0.00 0.00 51.96 51.72 1j5i s ALA 57 Cb -0.10 -2.46 0.12 0.00 0.00 0.00 0.00 23.12 20.68 1j5i s ALA 57 CO 0.04 0.36 1.12 -0.51 0.00 0.00 0.00 175.76 176.76 1j5i s ASP 58 N -0.65 3.45 0.35 0.00 1.01 0.11 -2.50 116.67 118.44 1j5i s ASP 58 Ca 0.24 1.98 0.24 0.00 0.71 0.00 0.00 52.55 55.72 1j5i s ASP 58 Cb -0.16 -2.51 1.24 0.00 1.01 0.00 0.00 42.92 42.49 1j5i s ASP 58 CO 0.13 -2.74 1.36 0.00 0.21 0.00 0.00 175.17 174.13 1j5i n ALA 59 N -3.98 1.05 -0.65 5.23 0.00 -1.26 0.41 120.51 121.31 1j5i n ALA 59 Ca 0.10 0.81 -0.13 0.00 0.00 0.00 0.00 53.44 54.22 1j5i n ALA 59 Cb 0.53 -0.90 0.04 0.00 0.00 0.00 0.00 19.45 19.11 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 -4.68 5.71 -3.99 0.00 5.15 -1.26 -4.30 115.26 111.89 1j5i n ASN 60 Ca 0.34 -2.90 -0.32 0.00 -0.60 0.00 0.00 54.58 51.11 1j5i n ASN 60 Cb 1.25 -0.99 -0.05 0.00 -0.53 0.00 0.00 39.78 39.46 1j5i n ASN 60 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1j5i n GLY 61 N 0.40 -0.43 3.35 8.20 0.00 1.39 -4.18 105.19 113.92 1j5i n GLY 61 Ca 0.25 0.06 -0.45 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.93 6.19 -0.86 1.61 0.01 -0.98 -1.26 113.70 115.48 1j5i s SER 62 Ca 0.62 -1.57 -0.10 0.00 1.31 0.00 0.00 55.95 56.20 1j5i s SER 62 Cb -0.36 -2.27 0.22 0.00 0.21 0.00 0.00 66.02 63.83 1j5i s SER 62 CO 0.76 -1.02 0.79 0.00 0.41 0.00 0.00 173.24 174.18 1j5i s ALA 63 N 2.29 4.16 -1.12 1.44 0.00 -0.35 0.09 121.76 128.26 1j5i s ALA 63 Ca 0.09 -3.48 -0.12 0.00 0.00 0.00 0.00 51.96 48.45 1j5i s ALA 63 Cb -0.26 -3.34 0.23 0.00 0.00 0.00 0.00 23.12 19.75 1j5i s ALA 63 CO 0.05 -2.23 1.22 -1.54 0.00 0.00 0.00 175.76 173.26 1j5i s SER 64 N 1.54 7.17 -0.13 0.00 1.04 -1.25 0.59 113.70 122.65 1j5i s SER 64 Ca 0.21 -3.25 -0.03 0.00 0.48 0.00 0.00 55.95 53.36 1j5i s SER 64 Cb -0.11 -2.29 -0.03 0.00 0.10 0.00 0.00 66.02 63.68 1j5i s SER 64 CO -0.08 -0.51 -0.01 0.28 0.98 0.00 0.00 173.24 173.89 1j5i s THR 65 N 0.07 4.13 -0.01 2.02 -1.32 0.01 -4.86 115.64 115.67 1j5i s THR 65 Ca 0.35 -0.29 -0.16 0.00 -1.21 0.00 0.00 61.69 60.38 1j5i s THR 65 Cb -0.07 -2.79 -0.06 0.00 -1.51 0.00 0.00 72.50 68.08 1j5i s THR 65 CO -0.05 0.53 0.43 -0.94 -2.21 0.00 0.00 174.62 172.38 1j5i s SER 66 N -0.08 6.81 0.22 8.08 1.04 -1.26 0.38 113.70 128.89 1j5i s SER 66 Ca 0.03 0.96 -0.15 0.00 0.48 0.00 0.00 55.95 57.28 1j5i s SER 66 Cb -0.13 -2.27 0.01 0.00 0.10 0.00 0.00 66.02 63.74 1j5i s SER 66 CO 0.02 0.27 0.50 -0.22 0.98 0.00 0.00 173.24 174.79 1j5i s LEU 67 N -0.81 0.24 -0.05 2.42 1.98 -0.65 -4.93 118.68 116.87 1j5i s LEU 67 Ca 0.24 -0.72 -0.01 0.00 -2.89 0.00 0.00 54.13 50.75 1j5i s LEU 67 Cb -0.17 1.95 -0.03 0.00 0.66 0.00 0.00 46.19 48.60 1j5i s LEU 67 CO 0.13 -1.10 0.02 -0.89 -1.89 0.00 0.00 176.35 172.62 1j5i s THR 68 N -3.95 4.36 -1.02 3.68 2.01 -1.26 -1.61 115.64 117.85 1j5i s THR 68 Ca 0.16 -0.35 -0.18 0.00 0.31 0.00 0.00 61.69 61.63 1j5i s THR 68 Cb -0.01 -2.88 0.13 0.00 0.01 0.00 0.00 72.50 69.74 1j5i s THR 68 CO 0.03 0.51 1.25 -0.69 -0.69 0.00 0.00 174.62 175.04 1j5i s VAL 69 N -0.98 4.69 -1.30 3.82 1.01 0.46 -4.76 120.40 123.34 1j5i s VAL 69 Ca 0.16 -1.75 -0.12 0.00 0.00 0.00 0.00 61.98 60.28 1j5i s VAL 69 Cb -0.11 -4.86 0.14 0.00 0.00 0.00 0.00 36.38 31.55 1j5i s VAL 69 CO 0.06 -1.60 1.85 0.54 0.00 0.00 0.00 175.10 175.95 1j5i n ARG 70 N 6.66 3.40 -0.38 2.72 5.12 -1.26 -1.73 116.66 131.19 1j5i n ARG 70 Ca 0.29 -3.39 0.30 0.00 -1.93 0.00 0.00 57.85 53.11 1j5i n ARG 70 Cb 0.48 -3.06 0.58 0.00 -1.16 0.00 0.00 32.46 29.30 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 6.17 0.23 -5.22 5.56 2.43 -1.85 -3.35 114.38 118.35 1j5i h ARG 71 Ca 0.42 -0.01 -0.62 0.00 -0.81 0.00 0.00 59.98 58.95 1j5i h ARG 71 Cb 0.69 -0.05 -0.17 0.00 -0.42 0.00 0.00 29.97 30.02 1j5i h ARG 71 CO 1.60 0.15 -0.57 -1.54 -1.51 0.00 0.00 179.97 178.09 1j5i s SER 72 N -4.90 5.55 0.00 -3.80 1.04 -1.26 0.10 113.70 110.43 1j5i s SER 72 Ca -0.08 0.03 0.00 0.00 0.48 0.00 0.00 55.95 56.38 1j5i s SER 72 Cb 0.27 -1.96 0.00 0.00 0.10 0.00 0.00 66.02 64.44 1j5i s SER 72 CO 0.81 0.14 0.00 0.49 0.98 0.00 0.00 173.24 175.66 1j5i n PHE 73 N 3.76 0.00 -2.69 5.02 3.01 -0.60 -4.95 117.46 121.01 1j5i n PHE 73 Ca -0.16 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 57.87 1j5i n PHE 73 Cb 0.52 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.97 1j5i n PHE 73 CO 0.00 0.00 0.00 -2.00 1.01 0.00 0.00 176.76 175.77 1j5i s GLU 74 N 0.00 4.33 0.00 -1.08 2.12 -1.26 0.39 118.70 123.21 1j5i s GLU 74 Ca 0.00 1.35 0.00 0.00 0.36 0.00 0.00 54.97 56.68 1j5i s GLU 74 Cb 0.00 -3.59 0.00 0.00 0.26 0.00 0.00 34.13 30.80 1j5i s GLU 74 CO 0.00 -0.47 0.00 0.41 -0.54 0.00 0.00 175.26 174.66 1j5i n GLY 75 N 3.23 3.81 3.18 -1.50 0.00 1.42 -4.26 105.19 111.07 1j5i n GLY 75 Ca 0.10 -1.67 -0.18 0.00 0.00 0.00 0.00 46.02 44.27 1j5i n GLY 75 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1j5i s PHE 76 N 4.39 1.21 0.75 1.61 -0.71 0.72 0.20 117.98 126.16 1j5i s PHE 76 Ca 0.00 -0.48 -0.05 0.00 -1.04 0.00 0.00 56.93 55.36 1j5i s PHE 76 Cb 0.00 -0.68 0.12 0.00 -1.21 0.00 0.00 43.02 41.25 1j5i s PHE 76 CO 0.00 0.06 1.05 -0.51 -1.34 0.00 0.00 175.22 174.48 1j5i s LEU 77 N -1.83 2.92 0.55 -1.99 1.43 0.10 -0.31 118.68 119.55 1j5i s LEU 77 Ca -0.01 -0.03 0.22 0.00 -1.03 0.00 0.00 54.13 53.28 1j5i s LEU 77 Cb -0.09 -2.36 1.50 0.00 0.03 0.00 0.00 46.19 45.26 1j5i s LEU 77 CO 0.02 -1.93 2.19 0.15 0.23 0.00 0.00 176.35 177.02 1j5i h PHE 78 N -0.72 0.00 0.10 0.29 3.04 -0.26 -2.91 116.94 116.48 1j5i h PHE 78 Ca -0.40 0.00 -0.00 0.00 3.98 0.00 0.00 57.97 61.54 1j5i h PHE 78 Cb 1.27 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.78 1j5i h PHE 78 CO -0.24 0.00 -0.05 0.22 -2.02 0.00 0.00 178.31 176.23 1j5i h ASP 79 N 0.00 -0.11 0.00 0.41 3.58 -1.93 -3.49 116.42 114.88 1j5i h ASP 79 Ca -0.00 -0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.42 1j5i h ASP 79 Cb 0.01 0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.09 1j5i h ASP 79 CO 0.00 0.39 0.00 0.61 -2.88 0.00 0.00 179.24 177.36 1j5i n GLY 80 N 1.44 0.30 3.50 -0.78 0.00 -1.10 -5.13 105.19 103.42 1j5i n GLY 80 Ca -0.02 0.00 -0.58 0.00 0.00 0.00 0.00 46.02 45.42 1j5i n GLY 80 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1j5i n THR 81 N 0.00 0.09 -1.82 2.61 -1.04 -1.26 -4.31 114.28 108.54 1j5i n THR 81 Ca 0.00 -0.02 -0.40 0.00 -2.04 0.00 0.00 64.05 61.59 1j5i n THR 81 Cb 0.00 -0.02 -0.03 0.00 -1.82 0.00 0.00 70.33 68.46 1j5i n THR 81 CO 0.00 0.00 0.00 -2.11 -0.64 0.00 0.00 175.07 172.32 1j5i n ARG 82 N 1.51 2.33 0.00 -2.82 1.85 -1.26 0.01 116.66 118.27 1j5i n ARG 82 Ca 0.20 -2.52 0.00 0.00 -1.00 0.00 0.00 57.85 54.53 1j5i n ARG 82 Cb 0.09 -3.31 0.00 0.00 -1.05 0.00 0.00 32.46 28.19 1j5i n ARG 82 CO 0.00 0.00 0.00 1.87 -0.01 0.00 0.00 177.63 179.49 1j5i n TRP 83 N 8.47 0.00 -1.78 2.89 -0.00 0.54 -4.67 117.44 122.88 1j5i n TRP 83 Ca 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.99 1j5i n TRP 83 Cb 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.73 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 3.46 -3.99 0.00 5.87 0.00 -1.00 0.42 105.19 109.95 1j5i n GLY 84 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.65 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 0.16 0.00 0.00 2.61 -1.04 -1.26 -2.11 114.28 112.63 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 0.55 -0.64 0.00 0.00 175.07 174.98 1j5i n VAL 86 N 0.00 0.00 -3.28 12.58 3.14 0.16 -4.70 118.33 126.23 1j5i n VAL 86 Ca 0.00 0.00 -0.08 0.00 -2.96 0.00 0.00 64.34 61.30 1j5i n VAL 86 Cb 0.00 0.00 -0.04 0.00 -1.06 0.00 0.00 33.84 32.74 1j5i n VAL 86 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1j5i s ASP 87 N 0.00 -0.13 -0.55 6.55 3.68 -1.25 -1.56 116.67 123.41 1j5i s ASP 87 Ca 0.00 -1.06 -0.07 0.00 2.13 0.00 0.00 52.55 53.54 1j5i s ASP 87 Cb 0.00 1.25 -0.19 0.00 -1.45 0.00 0.00 42.92 42.52 1j5i s ASP 87 CO 0.00 -0.23 3.37 0.00 0.13 0.00 0.00 175.17 178.44 1j5i n THR 89 N 2.77 0.00 0.00 0.00 5.66 -1.26 -4.60 114.28 116.85 1j5i n THR 89 Ca 0.55 -0.13 0.00 0.00 -3.05 0.00 0.00 64.05 61.42 1j5i n THR 89 Cb 0.68 0.56 0.00 0.00 -1.55 0.00 0.00 70.33 70.02 1j5i n THR 89 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 1j5i n THR 90 N -0.70 0.00 -2.43 1.09 -1.04 -1.26 -5.09 114.28 104.85 1j5i n THR 90 Ca 0.10 0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 61.70 1j5i n THR 90 Cb 0.37 -0.23 -0.04 0.00 -1.82 0.00 0.00 70.33 68.61 1j5i n THR 90 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1j5i s ALA 91 N -1.61 3.41 -0.09 2.41 0.00 -1.26 -4.99 121.76 119.63 1j5i s ALA 91 Ca 0.00 0.89 -0.29 0.00 0.00 0.00 0.00 51.96 52.57 1j5i s ALA 91 Cb 0.00 -3.39 -0.02 0.00 0.00 0.00 0.00 23.12 19.71 1j5i s ALA 91 CO 0.00 -0.32 0.96 0.00 0.00 0.00 0.00 175.76 176.40 1j5i s ALA 92 N -0.06 3.36 -0.20 0.00 0.00 -1.26 -4.68 121.76 118.93 1j5i s ALA 92 Ca 0.52 0.35 -0.19 0.00 0.00 0.00 0.00 51.96 52.64 1j5i s ALA 92 Cb -0.31 -3.36 -0.03 0.00 0.00 0.00 0.00 23.12 19.42 1j5i s ALA 92 CO 0.36 -0.50 0.56 0.00 0.00 0.00 0.00 175.76 176.18 1j5i s GLN 94 N 1.76 3.09 -0.36 0.00 -0.21 -0.33 -0.91 119.66 122.70 1j5i s GLN 94 Ca 0.26 -1.06 -0.23 0.00 0.02 0.00 0.00 55.36 54.34 1j5i s GLN 94 Cb -0.16 -4.17 0.01 0.00 1.00 0.00 0.00 33.01 29.69 1j5i s GLN 94 CO 0.10 -1.37 0.78 0.08 -2.12 0.00 0.00 175.29 172.75 1j5i s VAL 95 N 2.71 4.75 0.17 1.09 1.01 -0.08 -0.65 120.40 129.39 1j5i s VAL 95 Ca 0.14 0.91 -0.24 0.00 0.00 0.00 0.00 61.98 62.79 1j5i s VAL 95 Cb -0.21 -4.20 0.06 0.00 0.00 0.00 0.00 36.38 32.03 1j5i s VAL 95 CO 0.10 -0.41 0.95 -0.83 0.00 0.00 0.00 175.10 174.91 1j5i s GLY 96 N 1.81 -0.16 -0.27 4.51 0.00 -0.39 -1.25 107.32 111.57 1j5i s GLY 96 Ca 0.31 0.01 -0.12 0.00 0.00 0.00 0.00 44.72 44.92 1j5i s GLY 96 CO 0.16 0.24 0.25 0.48 0.00 0.00 0.00 173.10 174.23 1j5i s LEU 97 N -3.00 4.04 0.43 0.66 2.34 -1.24 0.02 118.68 121.93 1j5i s LEU 97 Ca 0.13 0.12 0.08 0.00 0.06 0.00 0.00 54.13 54.52 1j5i s LEU 97 Cb -0.02 -2.23 -0.02 0.00 -0.56 0.00 0.00 46.19 43.37 1j5i s LEU 97 CO 0.03 -0.07 0.39 -0.44 -1.06 0.00 0.00 176.35 175.20 1j5i s SER 98 N 1.59 5.03 1.04 1.48 0.01 0.15 -4.64 113.70 118.35 1j5i s SER 98 Ca 0.10 -0.77 -0.16 0.00 1.31 0.00 0.00 55.95 56.43 1j5i s SER 98 Cb -0.16 -0.51 0.06 0.00 0.21 0.00 0.00 66.02 65.63 1j5i s SER 98 CO 0.10 -0.69 0.15 0.47 0.41 0.00 0.00 173.24 173.67 1j5i n ASP 99 N -1.57 -2.34 -0.08 2.44 10.43 0.49 0.04 116.55 125.95 1j5i n ASP 99 Ca 0.04 0.10 0.22 0.00 2.57 0.00 0.00 54.79 57.71 1j5i n ASP 99 Cb 0.62 -1.06 0.67 0.00 1.84 0.00 0.00 41.12 43.19 1j5i n ASP 99 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1j5i h ALA 100 N -1.79 2.54 -0.26 2.24 0.00 -1.88 1.96 119.26 122.08 1j5i h ALA 100 Ca -0.48 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1j5i h ALA 100 Cb 1.32 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.15 1j5i h ALA 100 CO 0.36 -0.73 0.00 0.00 0.00 0.00 0.00 179.25 178.87 1j5i n ALA 101 N -2.64 2.51 -2.61 0.00 0.00 -1.26 -4.86 120.51 111.65 1j5i n ALA 101 Ca 0.13 -0.48 -0.15 0.00 0.00 0.00 0.00 53.44 52.94 1j5i n ALA 101 Cb 0.70 -0.99 0.01 0.00 0.00 0.00 0.00 19.45 19.18 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 0.85 -0.18 3.88 0.00 0.00 0.66 -5.01 105.19 105.39 1j5i n GLY 102 Ca 0.09 -0.19 -0.24 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.64 5.93 0.00 1.61 0.01 -1.22 -4.71 114.94 113.93 1j5i s ASN 103 Ca 0.14 -0.02 0.00 0.00 -0.71 0.00 0.00 52.86 52.27 1j5i s ASN 103 Cb -0.06 -1.66 0.00 0.00 0.41 0.00 0.00 41.25 39.94 1j5i s ASN 103 CO 0.17 0.02 0.00 0.61 -1.51 0.00 0.00 177.10 176.39 1j5i n GLY 104 N -0.75 1.60 2.11 0.66 0.00 -1.26 0.18 105.19 107.73 1j5i n GLY 104 Ca -0.08 -1.22 -0.09 0.00 0.00 0.00 0.00 46.02 44.64 1j5i n GLY 104 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1j5i n PRO 105 N 2.70 1.47 -3.21 1.61 -0.04 -1.26 -4.67 135.00 131.61 1j5i n PRO 105 Ca 0.00 -0.72 -0.40 0.00 -0.04 0.00 0.00 63.50 62.34 1j5i n PRO 105 Cb 0.00 -1.85 -0.07 0.00 -0.04 0.00 0.00 33.50 31.54 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 1.46 4.11 0.00 0.54 8.01 -1.26 -4.97 118.70 126.60 1j5i s GLU 106 Ca 0.48 0.40 0.00 0.00 0.01 0.00 0.00 54.97 55.87 1j5i s GLU 106 Cb 0.23 -3.63 0.00 0.00 -4.31 0.00 0.00 34.13 26.43 1j5i s GLU 106 CO 0.00 -0.31 0.00 0.41 0.01 0.00 0.00 175.26 175.37 1j5i n GLY 107 N 4.19 3.91 3.70 -1.39 0.00 -1.26 -3.29 105.19 111.05 1j5i n GLY 107 Ca -0.03 -1.00 -0.35 0.00 0.00 0.00 0.00 46.02 44.64 1j5i n GLY 107 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1j5i s VAL 108 N -2.00 4.44 -0.95 1.61 0.11 -0.38 -4.63 120.40 118.60 1j5i s VAL 108 Ca 0.00 -0.20 -0.24 0.00 -2.93 0.00 0.00 61.98 58.61 1j5i s VAL 108 Cb 0.00 -2.87 -0.00 0.00 -1.53 0.00 0.00 36.38 31.97 1j5i s VAL 108 CO 0.00 0.61 1.71 0.00 -3.33 0.00 0.00 175.10 174.09 1j5i s ALA 109 N -0.88 2.15 0.30 1.54 0.00 -1.25 -0.91 121.76 122.72 1j5i s ALA 109 Ca 0.13 -1.83 -0.08 0.00 0.00 0.00 0.00 51.96 50.19 1j5i s ALA 109 Cb -0.11 -4.54 -0.06 0.00 0.00 0.00 0.00 23.12 18.41 1j5i s ALA 109 CO 0.02 -4.24 0.61 -1.50 0.00 0.00 0.00 175.76 170.65 1j5i s ILE 110 N 7.72 4.93 0.00 0.00 1.10 -0.09 -4.75 121.20 130.11 1j5i s ILE 110 Ca 0.59 0.33 0.00 0.00 -0.51 0.00 0.00 60.65 61.06 1j5i s ILE 110 Cb -0.04 -3.70 0.00 0.00 0.15 0.00 0.00 42.46 38.87 1j5i s ILE 110 CO -0.04 -0.30 0.00 -1.20 -2.11 0.00 0.00 174.94 171.29 1j5i n SER 111 N -0.79 0.00 -3.62 4.50 7.64 -0.69 -3.66 113.62 117.00 1j5i n SER 111 Ca 0.00 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.76 1j5i n SER 111 Cb 0.53 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.61 1j5i n SER 111 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 1j5i s PHE 112 N 0.00 -0.52 -0.67 1.43 5.36 -1.07 -1.24 117.98 121.27 1j5i s PHE 112 Ca 0.00 1.01 0.00 0.00 -0.96 0.00 0.00 56.93 56.98 1j5i s PHE 112 Cb 0.00 0.01 0.00 0.00 -0.34 0.00 0.00 43.02 42.69 1j5i s PHE 112 CO 0.00 -0.43 0.17 -1.71 -1.46 0.00 0.00 175.22 171.78