#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 0.00 -1.00 0.00 0.00 -1.26 -5.00 120.51 113.25 1j5i n ALA 2 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 1j5i n ALA 2 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 1j5i n ALA 2 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1j5i n PRO 3 N 0.00 2.75 0.00 0.00 -0.04 -1.26 -4.28 135.00 132.17 1j5i n PRO 3 Ca 0.00 -1.79 0.00 0.00 -0.04 0.00 0.00 63.50 61.67 1j5i n PRO 3 Cb 0.00 -2.62 0.00 0.00 -0.04 0.00 0.00 33.50 30.84 1j5i n PRO 3 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1j5i n THR 4 N 4.01 0.00 -2.41 0.52 -2.24 -1.17 -4.55 114.28 108.45 1j5i n THR 4 Ca 0.59 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.95 1j5i n THR 4 Cb 0.18 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.38 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 -1.86 3.46 0.01 6.98 0.00 -1.24 -3.45 121.76 125.66 1j5i s ALA 5 Ca 0.00 0.76 0.01 0.00 0.00 0.00 0.00 51.96 52.74 1j5i s ALA 5 Cb 0.00 -3.49 -0.01 0.00 0.00 0.00 0.00 23.12 19.62 1j5i s ALA 5 CO 0.00 -0.63 -0.05 0.95 0.00 0.00 0.00 175.76 176.04 1j5i s THR 6 N 1.69 0.35 -0.39 0.00 -4.23 -0.50 -4.55 115.64 108.01 1j5i s THR 6 Ca 0.58 -0.49 -0.23 0.00 -1.18 0.00 0.00 61.69 60.37 1j5i s THR 6 Cb -0.28 -0.35 0.01 0.00 1.34 0.00 0.00 72.50 73.22 1j5i s THR 6 CO 0.26 -0.10 0.76 -0.69 -0.54 0.00 0.00 174.62 174.30 1j5i s VAL 7 N -0.59 4.73 0.01 2.29 1.01 -1.26 -1.39 120.40 125.21 1j5i s VAL 7 Ca -0.03 0.69 -0.05 0.00 0.00 0.00 0.00 61.98 62.59 1j5i s VAL 7 Cb -0.05 -4.22 -0.02 0.00 0.00 0.00 0.00 36.38 32.09 1j5i s VAL 7 CO -0.00 -0.50 1.07 0.74 0.00 0.00 0.00 175.10 176.41 1j5i h THR 8 N 5.81 0.00 0.00 3.92 2.02 -1.80 -2.49 112.91 120.37 1j5i h THR 8 Ca -0.25 0.00 -0.22 0.00 0.77 0.00 0.00 66.41 66.71 1j5i h THR 8 Cb 1.09 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 67.47 1j5i h THR 8 CO 0.91 0.00 0.58 -0.81 0.37 0.00 0.00 175.52 176.57 1j5i n PRO 9 N -2.83 1.79 0.00 6.66 -0.04 -1.26 -4.22 135.00 135.10 1j5i n PRO 9 Ca -0.01 -0.98 0.14 0.00 -0.04 0.00 0.00 63.50 62.61 1j5i n PRO 9 Cb 0.05 -2.04 0.62 0.00 -0.04 0.00 0.00 33.50 32.10 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 2.92 1.07 -4.70 3.54 3.41 -0.94 -4.42 113.62 114.49 1j5i n SER 10 Ca 0.38 -1.30 -0.38 0.00 -0.26 0.00 0.00 58.87 57.32 1j5i n SER 10 Cb 0.58 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.46 1j5i n SER 10 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1j5i s SER 11 N -2.06 6.56 -1.60 4.04 1.04 -1.25 -1.69 113.70 118.74 1j5i s SER 11 Ca 0.39 0.67 -0.05 0.00 0.48 0.00 0.00 55.95 57.44 1j5i s SER 11 Cb 0.21 -2.25 0.05 0.00 0.10 0.00 0.00 66.02 64.12 1j5i s SER 11 CO 0.36 -0.02 0.18 0.61 0.98 0.00 0.00 173.24 175.35 1j5i n GLY 12 N 3.52 -0.19 3.73 7.32 0.00 0.50 -4.88 105.19 115.18 1j5i n GLY 12 Ca -0.08 0.16 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 1j5i n GLY 12 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1j5i s LEU 13 N -7.31 1.64 0.06 0.99 0.05 -0.88 -5.04 118.68 108.18 1j5i s LEU 13 Ca 0.17 0.81 0.02 0.00 0.05 0.00 0.00 54.13 55.18 1j5i s LEU 13 Cb -0.10 -2.89 -0.03 0.00 -2.05 0.00 0.00 46.19 41.12 1j5i s LEU 13 CO 0.99 -3.16 -0.08 -0.55 -0.55 0.00 0.00 176.35 173.01 1j5i s SER 14 N -4.00 0.96 -0.53 1.48 0.15 -1.26 -4.98 113.70 105.53 1j5i s SER 14 Ca 0.68 -0.70 -0.26 0.00 0.70 0.00 0.00 55.95 56.37 1j5i s SER 14 Cb -0.13 0.05 -0.07 0.00 -1.71 0.00 0.00 66.02 64.17 1j5i s SER 14 CO 0.55 -0.29 2.35 1.51 1.20 0.00 0.00 173.24 178.57 1j5i s ASP 15 N -2.05 4.48 0.00 5.45 -4.77 -1.16 -0.68 116.67 117.94 1j5i s ASP 15 Ca -0.03 0.92 0.00 0.00 -3.30 0.00 0.00 52.55 50.14 1j5i s ASP 15 Cb -0.05 -2.51 0.00 0.00 -1.09 0.00 0.00 42.92 39.27 1j5i s ASP 15 CO -0.01 -2.91 0.00 0.61 0.70 0.00 0.00 175.17 173.56 1j5i n GLY 16 N 6.04 1.81 3.68 2.12 0.00 0.57 -4.80 105.19 114.61 1j5i n GLY 16 Ca 0.36 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 46.00 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 5.21 -0.24 2.61 2.01 0.15 -4.76 115.64 118.61 1j5i s THR 17 Ca 0.00 0.71 -0.29 0.00 0.31 0.00 0.00 61.69 62.42 1j5i s THR 17 Cb 0.00 -3.73 -0.01 0.00 0.01 0.00 0.00 72.50 68.77 1j5i s THR 17 CO 0.00 0.28 1.44 -0.69 -0.69 0.00 0.00 174.62 174.96 1j5i s VAL 18 N 1.14 3.95 0.31 3.82 1.01 -1.26 0.78 120.40 130.14 1j5i s VAL 18 Ca 0.19 1.08 0.10 0.00 0.00 0.00 0.00 61.98 63.35 1j5i s VAL 18 Cb -0.15 -3.92 -0.06 0.00 0.00 0.00 0.00 36.38 32.25 1j5i s VAL 18 CO 0.08 -0.35 -0.14 0.68 0.00 0.00 0.00 175.10 175.37 1j5i s VAL 19 N 4.62 2.28 -0.26 2.92 -7.23 0.81 -4.88 120.40 118.65 1j5i s VAL 19 Ca 0.63 -2.29 -0.03 0.00 -1.81 0.00 0.00 61.98 58.48 1j5i s VAL 19 Cb -0.21 -2.46 0.02 0.00 0.56 0.00 0.00 36.38 34.28 1j5i s VAL 19 CO 0.25 -0.31 -0.02 -0.75 -0.31 0.00 0.00 175.10 173.96 1j5i s LYS 20 N -3.58 2.99 -0.88 4.82 2.20 -1.26 -1.51 119.74 122.51 1j5i s LYS 20 Ca 0.31 -0.89 -0.18 0.00 -0.36 0.00 0.00 55.97 54.84 1j5i s LYS 20 Cb -0.01 -3.11 0.14 0.00 -1.51 0.00 0.00 37.83 33.35 1j5i s LYS 20 CO 0.15 -0.39 1.04 0.08 -0.36 0.00 0.00 175.35 175.87 1j5i s VAL 21 N 1.40 4.86 -0.41 4.02 1.01 0.37 -2.12 120.40 129.53 1j5i s VAL 21 Ca 0.02 -1.64 -0.23 0.00 0.00 0.00 0.00 61.98 60.13 1j5i s VAL 21 Cb -0.16 -4.71 0.02 0.00 0.00 0.00 0.00 36.38 31.52 1j5i s VAL 21 CO -0.02 -1.40 0.76 0.00 0.00 0.00 0.00 175.10 174.43 1j5i s ALA 22 N 2.33 3.36 -0.07 5.51 0.00 -0.49 -0.08 121.76 132.32 1j5i s ALA 22 Ca 0.29 -0.87 0.01 0.00 0.00 0.00 0.00 51.96 51.38 1j5i s ALA 22 Cb -0.07 -3.38 -0.03 0.00 0.00 0.00 0.00 23.12 19.63 1j5i s ALA 22 CO -0.08 -1.69 -0.08 0.20 0.00 0.00 0.00 175.76 174.12 1j5i s GLY 23 N 1.98 1.68 -0.12 0.00 0.00 0.79 -1.40 107.32 110.24 1j5i s GLY 23 Ca 0.29 -0.90 -0.04 0.00 0.00 0.00 0.00 44.72 44.07 1j5i s GLY 23 CO 0.19 -0.67 0.21 0.00 0.00 0.00 0.00 173.10 172.83 1j5i s ALA 24 N -0.79 -0.33 0.00 3.20 0.00 -1.10 0.27 121.76 123.01 1j5i s ALA 24 Ca 0.12 0.67 0.00 0.00 0.00 0.00 0.00 51.96 52.75 1j5i s ALA 24 Cb -0.11 -0.96 0.00 0.00 0.00 0.00 0.00 23.12 22.05 1j5i s ALA 24 CO 0.01 -0.68 0.00 0.41 0.00 0.00 0.00 175.76 175.50 1j5i n GLY 25 N 5.34 0.65 0.00 0.00 0.00 0.39 -3.03 105.19 108.55 1j5i n GLY 25 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 0.00 0.00 0.25 0.99 -0.00 -0.67 -4.25 117.00 113.32 1j5i n LEU 26 Ca 0.00 0.00 0.14 0.00 -0.00 0.00 0.00 56.01 56.15 1j5i n LEU 26 Cb 0.00 0.00 0.62 0.00 -0.00 0.00 0.00 43.42 44.04 1j5i n LEU 26 CO 0.00 0.00 1.12 1.56 -0.00 0.00 0.00 177.39 180.07 1j5i h GLN 27 N 0.00 0.00 -0.56 1.96 1.08 -1.88 -3.44 115.11 112.28 1j5i h GLN 27 Ca 0.00 0.00 -0.24 0.00 -1.45 0.00 0.00 58.65 56.96 1j5i h GLN 27 Cb 0.00 0.00 -0.09 0.00 -0.05 0.00 0.00 27.48 27.34 1j5i h GLN 27 CO 0.00 0.00 -0.22 0.00 -0.95 0.00 0.00 178.83 177.66 1j5i n ALA 28 N -1.92 -0.18 0.00 3.87 0.00 -1.26 -1.49 120.51 119.53 1j5i n ALA 28 Ca 0.02 0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.65 1j5i n ALA 28 Cb 0.62 -1.58 0.00 0.00 0.00 0.00 0.00 19.45 18.49 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 -0.60 1.14 0.00 0.00 0.00 -0.77 -3.84 105.19 101.12 1j5i n GLY 29 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 0.00 0.00 -3.69 2.61 -1.04 -0.56 -4.66 114.28 106.95 1j5i n THR 30 Ca 0.00 0.00 -0.16 0.00 -2.04 0.00 0.00 64.05 61.85 1j5i n THR 30 Cb 0.00 -1.96 -0.15 0.00 -1.82 0.00 0.00 70.33 66.40 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 -3.91 -0.20 0.45 2.41 0.00 -1.26 -1.88 121.76 117.37 1j5i s ALA 31 Ca 0.00 0.60 0.03 0.00 0.00 0.00 0.00 51.96 52.59 1j5i s ALA 31 Cb 0.00 -0.74 -0.03 0.00 0.00 0.00 0.00 23.12 22.35 1j5i s ALA 31 CO 0.00 -0.47 0.05 0.71 0.00 0.00 0.00 175.76 176.05 1j5i s TYR 32 N 2.03 1.94 -0.22 0.00 1.51 0.14 -4.79 117.35 117.97 1j5i s TYR 32 Ca 0.00 -1.01 -0.10 0.00 -1.01 0.00 0.00 57.07 54.95 1j5i s TYR 32 Cb -0.12 -1.47 -0.05 0.00 -0.11 0.00 0.00 41.96 40.22 1j5i s TYR 32 CO -0.06 0.08 0.13 0.34 -1.11 0.00 0.00 175.55 174.94 1j5i s ASP 33 N -3.73 6.00 0.13 2.29 3.68 -0.46 0.78 116.67 125.35 1j5i s ASP 33 Ca 0.18 0.11 -0.23 0.00 2.13 0.00 0.00 52.55 54.74 1j5i s ASP 33 Cb 0.04 -2.07 -0.07 0.00 -1.45 0.00 0.00 42.92 39.36 1j5i s ASP 33 CO 0.10 0.10 0.70 0.54 0.13 0.00 0.00 175.17 176.73 1j5i s VAL 34 N 0.86 4.52 0.00 1.11 0.11 -0.36 0.23 120.40 126.87 1j5i s VAL 34 Ca 0.07 1.52 0.00 0.00 -2.93 0.00 0.00 61.98 60.64 1j5i s VAL 34 Cb -0.13 -4.05 0.00 0.00 -1.53 0.00 0.00 36.38 30.67 1j5i s VAL 34 CO 0.03 0.53 0.00 0.61 -3.33 0.00 0.00 175.10 172.94 1j5i n GLY 35 N 1.66 1.85 3.50 6.54 0.00 0.48 -0.69 105.19 118.53 1j5i n GLY 35 Ca -0.07 -0.33 -0.43 0.00 0.00 0.00 0.00 46.02 45.18 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 -1.89 3.25 0.08 1.61 -2.07 -1.26 -2.16 119.66 117.21 1j5i s GLN 36 Ca 0.00 -0.48 0.04 0.00 -1.82 0.00 0.00 55.36 53.10 1j5i s GLN 36 Cb 0.00 -3.99 -0.04 0.00 -1.09 0.00 0.00 33.01 27.89 1j5i s GLN 36 CO 0.00 -1.09 0.01 0.00 -1.32 0.00 0.00 175.29 172.89 1j5i s ALA 38 N -1.30 -2.03 -0.11 0.00 0.00 -0.57 -1.42 121.76 116.33 1j5i s ALA 38 Ca 0.26 1.64 -0.29 0.00 0.00 0.00 0.00 51.96 53.56 1j5i s ALA 38 Cb -0.12 -0.62 -0.06 0.00 0.00 0.00 0.00 23.12 22.33 1j5i s ALA 38 CO 0.18 -0.43 1.98 1.67 0.00 0.00 0.00 175.76 179.16 1j5i s TRP 39 N -1.75 1.41 -0.24 0.00 1.48 -1.26 -0.72 118.94 117.86 1j5i s TRP 39 Ca 0.06 0.10 -0.03 0.00 -1.06 0.00 0.00 56.10 55.18 1j5i s TRP 39 Cb -0.01 -4.07 -0.18 0.00 -1.16 0.00 0.00 33.47 28.05 1j5i s TRP 39 CO -0.04 -4.50 -0.15 1.55 -4.06 0.00 0.00 176.95 169.75 1j5i n VAL 40 N 6.51 1.54 -0.30 -0.66 3.14 -0.47 -4.80 118.33 123.28 1j5i n VAL 40 Ca 0.23 -0.53 0.00 0.00 -2.96 0.00 0.00 64.34 61.08 1j5i n VAL 40 Cb 0.43 -1.57 0.00 0.00 -1.06 0.00 0.00 33.84 31.65 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 -3.50 0.00 -2.80 6.55 4.64 -1.19 -4.84 116.55 115.42 1j5i n ASP 41 Ca -0.45 0.00 -0.22 0.00 -1.38 0.00 0.00 54.79 52.74 1j5i n ASP 41 Cb 0.97 0.00 -0.07 0.00 -1.04 0.00 0.00 41.12 40.98 1j5i n ASP 41 CO 0.00 0.00 0.00 1.07 -0.82 0.00 0.00 177.20 177.45 1j5i n THR 42 N 0.00 3.00 -0.08 5.18 5.66 -1.26 -3.92 114.28 122.87 1j5i n THR 42 Ca 0.00 -1.70 0.00 0.00 -3.05 0.00 0.00 64.05 59.30 1j5i n THR 42 Cb 0.00 -2.19 0.00 0.00 -1.55 0.00 0.00 70.33 66.59 1j5i n THR 42 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1j5i n GLY 43 N 3.25 0.59 3.62 1.09 0.00 -1.26 -5.04 105.19 107.44 1j5i n GLY 43 Ca 0.51 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 46.10 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 -2.14 4.30 -0.39 1.61 1.01 -1.25 -4.84 120.40 118.70 1j5i s VAL 44 Ca 0.00 1.43 -0.27 0.00 0.00 0.00 0.00 61.98 63.14 1j5i s VAL 44 Cb 0.00 -4.42 -0.07 0.00 0.00 0.00 0.00 36.38 31.89 1j5i s VAL 44 CO 0.00 -0.68 2.35 -0.11 0.00 0.00 0.00 175.10 176.66 1j5i n LEU 45 N 7.46 2.62 -4.41 3.92 -0.00 -1.26 -1.37 117.00 123.96 1j5i n LEU 45 Ca 0.13 -0.20 -0.33 0.00 -0.00 0.00 0.00 56.01 55.61 1j5i n LEU 45 Cb 0.48 -1.55 -0.14 0.00 -0.00 0.00 0.00 43.42 42.21 1j5i n LEU 45 CO 0.65 -1.20 -0.46 0.00 -0.00 0.00 0.00 177.39 176.38 1j5i s ALA 46 N 10.55 2.59 0.17 1.96 0.00 0.10 -1.12 121.76 136.01 1j5i s ALA 46 Ca 1.00 -0.94 0.04 0.00 0.00 0.00 0.00 51.96 52.06 1j5i s ALA 46 Cb -0.28 -1.05 -0.03 0.00 0.00 0.00 0.00 23.12 21.75 1j5i s ALA 46 CO 0.31 0.40 0.26 0.00 0.00 0.00 0.00 175.76 176.73 1j5i s ASN 48 N -3.37 5.44 0.00 0.00 0.02 -1.20 -0.07 114.94 115.76 1j5i s ASN 48 Ca 0.34 0.69 0.22 0.00 -1.02 0.00 0.00 52.86 53.09 1j5i s ASN 48 Cb -0.10 -1.61 0.94 0.00 0.02 0.00 0.00 41.25 40.50 1j5i s ASN 48 CO 0.27 -1.18 1.70 -0.81 0.02 0.00 0.00 177.10 177.10 1j5i n PRO 49 N -2.67 0.01 -0.43 -0.60 -0.04 -1.26 -2.08 135.00 127.92 1j5i n PRO 49 Ca 0.05 0.12 0.08 0.00 -0.04 0.00 0.00 63.50 63.72 1j5i n PRO 49 Cb 0.58 -1.50 0.28 0.00 -0.04 0.00 0.00 33.50 32.82 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 -1.49 2.74 1.20 0.55 0.00 -1.26 -4.27 120.51 117.98 1j5i n ALA 50 Ca 0.05 -1.59 0.07 0.00 0.00 0.00 0.00 53.44 51.98 1j5i n ALA 50 Cb 0.25 -0.77 0.26 0.00 0.00 0.00 0.00 19.45 19.19 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 0.66 1.48 -4.22 0.00 2.03 -0.89 -4.60 116.55 111.02 1j5i n ASP 51 Ca 0.21 -1.84 -0.42 0.00 0.52 0.00 0.00 54.79 53.25 1j5i n ASP 51 Cb 0.73 -0.15 -0.06 0.00 -0.72 0.00 0.00 41.12 40.93 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 -1.71 3.59 -0.41 -0.67 0.08 -1.20 -2.95 117.98 114.71 1j5i s PHE 52 Ca 0.25 -2.32 0.04 0.00 0.12 0.00 0.00 56.93 55.02 1j5i s PHE 52 Cb 0.13 -3.53 0.17 0.00 -0.57 0.00 0.00 43.02 39.22 1j5i s PHE 52 CO 0.19 -0.92 0.40 -1.12 -0.10 0.00 0.00 175.22 173.67 1j5i s SER 53 N 1.49 1.01 0.20 1.36 0.01 0.13 -4.97 113.70 112.93 1j5i s SER 53 Ca 0.17 -2.32 -0.16 0.00 1.31 0.00 0.00 55.95 54.95 1j5i s SER 53 Cb -0.15 0.26 -0.11 0.00 0.21 0.00 0.00 66.02 66.23 1j5i s SER 53 CO -0.06 -0.19 0.20 -0.24 0.41 0.00 0.00 173.24 173.36 1j5i n SER 54 N 3.38 -1.36 -3.70 2.44 2.88 -1.26 -1.22 113.62 114.78 1j5i n SER 54 Ca 0.21 0.64 -0.14 0.00 -1.33 0.00 0.00 58.87 58.24 1j5i n SER 54 Cb 0.47 -0.60 -0.08 0.00 -0.75 0.00 0.00 64.21 63.25 1j5i n SER 54 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1j5i s VAL 55 N -0.88 0.04 -0.01 2.46 0.11 0.23 -4.60 120.40 117.76 1j5i s VAL 55 Ca 0.41 -0.35 0.01 0.00 -2.93 0.00 0.00 61.98 59.12 1j5i s VAL 55 Cb -0.52 -0.70 0.00 0.00 -1.53 0.00 0.00 36.38 33.63 1j5i s VAL 55 CO 0.39 -0.19 -0.04 -0.89 -3.33 0.00 0.00 175.10 171.04 1j5i s THR 56 N -1.25 0.30 -0.12 5.04 2.01 -1.26 0.25 115.64 120.61 1j5i s THR 56 Ca -0.13 -0.14 -0.04 0.00 0.31 0.00 0.00 61.69 61.69 1j5i s THR 56 Cb -0.04 -0.27 -0.03 0.00 0.01 0.00 0.00 72.50 72.17 1j5i s THR 56 CO 0.05 0.09 0.03 0.00 -0.69 0.00 0.00 174.62 174.11 1j5i s ALA 57 N 0.03 3.35 0.99 7.40 0.00 -0.79 -4.37 121.76 128.37 1j5i s ALA 57 Ca 0.00 -0.77 -0.11 0.00 0.00 0.00 0.00 51.96 51.07 1j5i s ALA 57 Cb -0.03 -1.64 0.16 0.00 0.00 0.00 0.00 23.12 21.62 1j5i s ALA 57 CO -0.00 0.46 0.98 -0.25 0.00 0.00 0.00 175.76 176.95 1j5i n ASP 58 N 2.57 -0.54 -0.36 0.00 10.43 0.47 -2.75 116.55 126.37 1j5i n ASP 58 Ca -0.18 0.26 0.32 0.00 2.57 0.00 0.00 54.79 57.76 1j5i n ASP 58 Cb 0.53 -1.38 0.56 0.00 1.84 0.00 0.00 41.12 42.67 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 -4.34 1.08 -0.67 2.24 0.00 -1.26 0.41 120.51 117.96 1j5i n ALA 59 Ca 0.09 0.78 -0.13 0.00 0.00 0.00 0.00 53.44 54.18 1j5i n ALA 59 Cb 0.53 -0.90 0.04 0.00 0.00 0.00 0.00 19.45 19.12 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 -4.57 5.80 -4.31 0.00 5.15 -1.26 -3.54 115.26 112.52 1j5i n ASN 60 Ca 0.34 -2.90 -0.38 0.00 -0.60 0.00 0.00 54.58 51.04 1j5i n ASN 60 Cb 1.27 -1.00 -0.07 0.00 -0.53 0.00 0.00 39.78 39.45 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 0.44 -0.41 3.39 8.20 0.00 1.35 -2.81 105.19 115.36 1j5i n GLY 61 Ca 0.25 0.07 -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 -3.12 6.51 -0.99 1.61 0.01 -0.94 0.15 113.70 116.92 1j5i s SER 62 Ca 0.75 -1.99 -0.05 0.00 1.31 0.00 0.00 55.95 55.97 1j5i s SER 62 Cb -0.43 -2.32 0.25 0.00 0.21 0.00 0.00 66.02 63.73 1j5i s SER 62 CO 0.91 -0.96 0.93 0.00 0.41 0.00 0.00 173.24 174.53 1j5i n ALA 63 N 5.82 4.00 -2.88 1.44 0.00 0.14 -0.40 120.51 128.62 1j5i n ALA 63 Ca 0.09 -4.63 -0.44 0.00 0.00 0.00 0.00 53.44 48.47 1j5i n ALA 63 Cb 0.46 -2.01 0.00 0.00 0.00 0.00 0.00 19.45 17.90 1j5i n ALA 63 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1j5i n SER 64 N 2.42 5.29 -4.65 0.00 3.41 -1.26 -0.15 113.62 118.69 1j5i n SER 64 Ca 0.23 -3.03 -0.32 0.00 -0.26 0.00 0.00 58.87 55.49 1j5i n SER 64 Cb 0.38 -1.51 -0.09 0.00 -0.26 0.00 0.00 64.21 62.72 1j5i n SER 64 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1j5i s THR 65 N 0.76 3.94 0.07 6.66 -1.32 0.88 -4.91 115.64 121.72 1j5i s THR 65 Ca 0.40 -0.77 0.03 0.00 -1.21 0.00 0.00 61.69 60.14 1j5i s THR 65 Cb -0.01 -2.78 -0.04 0.00 -1.51 0.00 0.00 72.50 68.16 1j5i s THR 65 CO -0.00 0.31 0.06 -0.94 -2.21 0.00 0.00 174.62 171.83 1j5i s SER 66 N -1.72 5.39 0.31 8.08 1.04 -1.26 0.14 113.70 125.67 1j5i s SER 66 Ca 0.20 -0.04 -0.10 0.00 0.48 0.00 0.00 55.95 56.49 1j5i s SER 66 Cb -0.11 -1.42 0.01 0.00 0.10 0.00 0.00 66.02 64.60 1j5i s SER 66 CO 0.12 0.19 0.55 -0.22 0.98 0.00 0.00 173.24 174.85 1j5i s LEU 67 N -2.27 0.46 -0.12 2.42 1.98 -0.57 -4.88 118.68 115.70 1j5i s LEU 67 Ca 0.27 -1.15 -0.04 0.00 -2.89 0.00 0.00 54.13 50.33 1j5i s LEU 67 Cb -0.12 1.92 -0.03 0.00 0.66 0.00 0.00 46.19 48.62 1j5i s LEU 67 CO 0.20 -1.31 0.01 -0.89 -1.89 0.00 0.00 176.35 172.47 1j5i s THR 68 N -3.35 4.37 -0.91 3.68 2.01 -1.26 -0.14 115.64 120.04 1j5i s THR 68 Ca 0.23 -0.21 -0.19 0.00 0.31 0.00 0.00 61.69 61.83 1j5i s THR 68 Cb -0.02 -2.89 0.12 0.00 0.01 0.00 0.00 72.50 69.73 1j5i s THR 68 CO 0.13 0.55 1.13 -0.69 -0.69 0.00 0.00 174.62 175.05 1j5i s VAL 69 N -0.33 4.64 -1.06 3.82 1.01 0.23 -4.82 120.40 123.89 1j5i s VAL 69 Ca 0.07 -1.41 -0.03 0.00 0.00 0.00 0.00 61.98 60.60 1j5i s VAL 69 Cb -0.12 -4.79 0.31 0.00 0.00 0.00 0.00 36.38 31.78 1j5i s VAL 69 CO 0.02 -1.53 1.47 0.54 0.00 0.00 0.00 175.10 175.60 1j5i n ARG 70 N 6.81 4.45 -0.31 2.72 1.74 -1.26 0.21 116.66 131.03 1j5i n ARG 70 Ca 0.22 -4.57 0.29 0.00 -0.77 0.00 0.00 57.85 53.02 1j5i n ARG 70 Cb 0.49 -2.50 0.50 0.00 -1.02 0.00 0.00 32.46 29.94 1j5i n ARG 70 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1j5i n ARG 71 N 1.23 -0.04 -2.58 5.56 0.63 -1.26 -3.69 116.66 116.50 1j5i n ARG 71 Ca 0.27 1.07 -0.43 0.00 -0.92 0.00 0.00 57.85 57.84 1j5i n ARG 71 Cb 0.33 -1.99 -0.02 0.00 0.45 0.00 0.00 32.46 31.23 1j5i n ARG 71 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 1j5i s SER 72 N -4.49 6.62 -0.09 6.15 1.04 -1.24 -0.76 113.70 120.93 1j5i s SER 72 Ca -0.07 0.53 -0.26 0.00 0.48 0.00 0.00 55.95 56.63 1j5i s SER 72 Cb 0.26 -2.55 0.06 0.00 0.10 0.00 0.00 66.02 63.89 1j5i s SER 72 CO 0.64 -1.25 0.61 0.72 0.98 0.00 0.00 173.24 174.94 1j5i s PHE 73 N 4.51 -0.59 -1.31 5.02 -0.12 0.02 -4.84 117.98 120.66 1j5i s PHE 73 Ca 0.49 1.12 -0.17 0.00 -0.05 0.00 0.00 56.93 58.32 1j5i s PHE 73 Cb -0.08 0.32 0.07 0.00 -0.63 0.00 0.00 43.02 42.70 1j5i s PHE 73 CO 0.31 -0.51 1.77 -1.91 -0.05 0.00 0.00 175.22 174.83 1j5i n GLU 74 N 1.38 3.18 -1.10 1.99 2.13 -1.26 -0.25 120.64 126.71 1j5i n GLU 74 Ca -0.18 -3.24 -0.35 0.00 0.66 0.00 0.00 57.16 54.05 1j5i n GLU 74 Cb 0.57 -3.46 0.01 0.00 0.27 0.00 0.00 31.44 28.83 1j5i n GLU 74 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1j5i n GLY 75 N 5.22 -2.94 2.72 8.31 0.00 0.30 -4.27 105.19 114.52 1j5i n GLY 75 Ca 0.49 -0.20 -0.23 0.00 0.00 0.00 0.00 46.02 46.08 1j5i n GLY 75 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1j5i s PHE 76 N -1.78 0.51 0.06 1.61 2.19 0.90 -0.47 117.98 121.00 1j5i s PHE 76 Ca 0.50 -0.18 -0.33 0.00 0.33 0.00 0.00 56.93 57.25 1j5i s PHE 76 Cb -0.43 -0.74 -0.12 0.00 -1.31 0.00 0.00 43.02 40.42 1j5i s PHE 76 CO 0.60 -0.36 1.78 1.28 1.83 0.00 0.00 175.22 180.35 1j5i n LEU 77 N 5.19 3.56 0.18 6.12 4.77 0.16 -0.50 117.00 136.47 1j5i n LEU 77 Ca -0.06 1.01 0.18 0.00 -0.03 0.00 0.00 56.01 57.10 1j5i n LEU 77 Cb 0.49 -1.45 0.81 0.00 -2.33 0.00 0.00 43.42 40.94 1j5i n LEU 77 CO 0.10 -0.04 1.16 0.15 -1.33 0.00 0.00 177.39 177.42 1j5i h PHE 78 N 8.10 0.00 -0.45 -1.77 3.57 -1.36 -1.16 116.94 123.87 1j5i h PHE 78 Ca -0.47 0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.12 1j5i h PHE 78 Cb 1.25 0.00 -0.07 0.00 2.79 0.00 0.00 35.95 39.92 1j5i h PHE 78 CO 0.78 0.00 -0.02 0.22 -2.23 0.00 0.00 178.31 177.06 1j5i h ASP 79 N 0.00 -0.22 0.00 0.41 -0.00 -1.87 -3.45 116.42 111.28 1j5i h ASP 79 Ca 0.11 0.11 0.00 0.00 -0.00 0.00 0.00 57.03 57.25 1j5i h ASP 79 Cb 0.65 0.20 0.00 0.00 -0.00 0.00 0.00 39.33 40.18 1j5i h ASP 79 CO -0.00 -0.07 0.00 0.61 -0.00 0.00 0.00 179.24 179.78 1j5i n GLY 80 N -1.30 0.38 3.84 -0.78 0.00 -0.44 -5.14 105.19 101.75 1j5i n GLY 80 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 1j5i n GLY 80 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1j5i s THR 81 N 0.00 4.82 0.03 2.61 -1.32 -1.22 -4.91 115.64 115.65 1j5i s THR 81 Ca 0.00 0.85 -0.11 0.00 -1.21 0.00 0.00 61.69 61.22 1j5i s THR 81 Cb 0.00 -3.73 -0.06 0.00 -1.51 0.00 0.00 72.50 67.20 1j5i s THR 81 CO 0.00 0.19 0.37 -0.13 -2.21 0.00 0.00 174.62 172.85 1j5i s ARG 82 N -2.08 3.79 0.00 7.08 0.52 -1.26 0.38 118.95 127.38 1j5i s ARG 82 Ca 0.40 0.23 0.00 0.00 -0.52 0.00 0.00 55.73 55.84 1j5i s ARG 82 Cb -0.15 -3.11 0.00 0.00 0.52 0.00 0.00 34.95 32.22 1j5i s ARG 82 CO 0.19 0.64 0.00 1.87 0.02 0.00 0.00 175.30 178.02 1j5i n TRP 83 N 1.38 0.00 0.00 -0.53 -0.00 -0.20 -4.78 117.44 113.30 1j5i n TRP 83 Ca -0.12 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.38 1j5i n TRP 83 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.84 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 3.43 0.68 4.43 5.87 0.00 0.38 -4.80 105.19 115.18 1j5i n GLY 84 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.66 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 0.11 114.28 114.70 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 -1.53 12.58 0.31 0.66 -4.69 118.33 125.66 1j5i n VAL 86 Ca 0.00 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 64.03 1j5i n VAL 86 Cb 0.00 0.00 -0.12 0.00 -0.91 0.00 0.00 33.84 32.81 1j5i n VAL 86 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1j5i n ASP 87 N 8.61 0.78 -2.42 4.52 -0.08 -1.26 -0.80 116.55 125.89 1j5i n ASP 87 Ca 0.00 -0.51 -0.21 0.00 -1.51 0.00 0.00 54.79 52.56 1j5i n ASP 87 Cb 0.00 -1.17 -0.12 0.00 2.34 0.00 0.00 41.12 42.17 1j5i n ASP 87 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1j5i n THR 89 N 2.50 0.69 -0.10 0.00 5.66 -1.26 -4.39 114.28 117.39 1j5i n THR 89 Ca 0.53 -0.60 -0.19 0.00 -3.05 0.00 0.00 64.05 60.73 1j5i n THR 89 Cb 0.69 -0.38 -0.11 0.00 -1.55 0.00 0.00 70.33 68.98 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 0.94 -3.51 1.09 2.02 -1.98 -3.47 112.91 107.99 1j5i h THR 90 Ca -0.09 -2.09 -0.53 0.00 0.77 0.00 0.00 66.41 64.47 1j5i h THR 90 Cb 1.28 2.16 -0.03 0.00 -1.74 0.00 0.00 68.15 69.82 1j5i h THR 90 CO 0.02 0.32 -0.05 0.00 0.37 0.00 0.00 175.52 176.17 1j5i s ALA 91 N -2.38 3.50 -0.29 6.16 0.00 -1.26 -5.04 121.76 122.45 1j5i s ALA 91 Ca -0.26 -0.18 -0.21 0.00 0.00 0.00 0.00 51.96 51.31 1j5i s ALA 91 Cb 0.04 -2.53 -0.01 0.00 0.00 0.00 0.00 23.12 20.62 1j5i s ALA 91 CO 0.57 0.46 0.68 0.00 0.00 0.00 0.00 175.76 177.47 1j5i s ALA 92 N -1.85 3.57 -0.23 0.00 0.00 -1.26 -4.81 121.76 117.18 1j5i s ALA 92 Ca 0.49 -0.49 -0.19 0.00 0.00 0.00 0.00 51.96 51.77 1j5i s ALA 92 Cb -0.11 -3.14 -0.03 0.00 0.00 0.00 0.00 23.12 19.84 1j5i s ALA 92 CO 0.20 -1.01 0.58 0.00 0.00 0.00 0.00 175.76 175.52 1j5i s GLN 94 N 2.07 3.39 -0.36 0.00 -0.21 -0.51 -1.68 119.66 122.37 1j5i s GLN 94 Ca 0.25 -0.40 -0.23 0.00 0.02 0.00 0.00 55.36 55.01 1j5i s GLN 94 Cb -0.16 -3.89 0.01 0.00 1.00 0.00 0.00 33.01 29.98 1j5i s GLN 94 CO 0.09 -0.78 0.76 0.08 -2.12 0.00 0.00 175.29 173.33 1j5i s VAL 95 N 2.39 4.76 0.22 1.09 1.01 0.25 -0.13 120.40 129.99 1j5i s VAL 95 Ca 0.17 0.87 -0.22 0.00 0.00 0.00 0.00 61.98 62.80 1j5i s VAL 95 Cb -0.16 -4.18 0.07 0.00 0.00 0.00 0.00 36.38 32.11 1j5i s VAL 95 CO 0.15 -0.39 0.95 -0.83 0.00 0.00 0.00 175.10 174.97 1j5i s GLY 96 N 1.81 0.05 -0.21 4.51 0.00 -0.92 -0.25 107.32 112.30 1j5i s GLY 96 Ca 0.30 -0.28 -0.06 0.00 0.00 0.00 0.00 44.72 44.68 1j5i s GLY 96 CO 0.16 1.03 0.04 0.48 0.00 0.00 0.00 173.10 174.81 1j5i s LEU 97 N -3.18 3.46 0.42 0.66 2.34 -1.26 -0.39 118.68 120.74 1j5i s LEU 97 Ca 0.17 -0.14 0.04 0.00 0.06 0.00 0.00 54.13 54.27 1j5i s LEU 97 Cb -0.03 -1.90 0.00 0.00 -0.56 0.00 0.00 46.19 43.71 1j5i s LEU 97 CO 0.06 0.05 0.60 -0.94 -1.06 0.00 0.00 176.35 175.06 1j5i s SER 98 N 1.09 5.73 0.70 1.48 1.04 0.14 -4.79 113.70 119.08 1j5i s SER 98 Ca 0.03 -0.10 -0.11 0.00 0.48 0.00 0.00 55.95 56.25 1j5i s SER 98 Cb -0.14 -1.10 0.01 0.00 0.10 0.00 0.00 66.02 64.89 1j5i s SER 98 CO 0.03 -0.71 1.06 -1.81 0.98 0.00 0.00 173.24 172.79 1j5i s ASP 99 N -4.27 5.43 0.00 7.02 1.01 -1.14 -1.36 116.67 123.35 1j5i s ASP 99 Ca 0.50 1.52 0.19 0.00 0.71 0.00 0.00 52.55 55.47 1j5i s ASP 99 Cb -0.10 -2.41 0.99 0.00 1.01 0.00 0.00 42.92 42.41 1j5i s ASP 99 CO 0.34 -1.40 1.57 0.00 0.21 0.00 0.00 175.17 175.89 1j5i n ALA 100 N -3.09 2.04 -0.02 5.23 0.00 -1.26 -1.85 120.51 121.56 1j5i n ALA 100 Ca 0.07 -0.10 -0.08 0.00 0.00 0.00 0.00 53.44 53.33 1j5i n ALA 100 Cb 0.54 -1.31 -0.14 0.00 0.00 0.00 0.00 19.45 18.55 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 -1.23 1.50 -0.13 0.00 0.00 -1.26 -5.00 120.51 114.40 1j5i n ALA 101 Ca 0.10 -0.76 0.00 0.00 0.00 0.00 0.00 53.44 52.78 1j5i n ALA 101 Cb 0.13 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 18.73 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 1.55 0.67 3.26 0.00 0.00 -0.77 -5.12 105.19 104.78 1j5i n GLY 102 Ca -0.17 -0.03 -0.09 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.45 0.04 0.00 1.61 0.01 -1.26 -4.98 114.94 108.91 1j5i s ASN 103 Ca 0.00 -0.66 0.00 0.00 -0.71 0.00 0.00 52.86 51.49 1j5i s ASN 103 Cb 0.00 0.39 0.00 0.00 0.41 0.00 0.00 41.25 42.05 1j5i s ASN 103 CO 0.00 -0.80 0.00 0.61 -1.51 0.00 0.00 177.10 175.40 1j5i n GLY 104 N -0.13 0.58 2.13 0.66 0.00 -1.26 -2.89 105.19 104.27 1j5i n GLY 104 Ca -0.13 -0.83 -0.09 0.00 0.00 0.00 0.00 46.02 44.97 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 1.03 1.50 -3.18 1.61 -0.04 -1.26 -4.80 135.00 129.86 1j5i n PRO 105 Ca 0.00 -0.75 -0.40 0.00 -0.04 0.00 0.00 63.50 62.30 1j5i n PRO 105 Cb 0.00 -1.88 -0.07 0.00 -0.04 0.00 0.00 33.50 31.51 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 1.52 4.06 0.00 0.54 2.02 -1.26 -5.00 118.70 120.57 1j5i s GLU 106 Ca 0.50 0.39 0.00 0.00 0.02 0.00 0.00 54.97 55.88 1j5i s GLU 106 Cb 0.24 -3.66 0.00 0.00 0.10 0.00 0.00 34.13 30.81 1j5i s GLU 106 CO -0.00 -0.39 0.00 0.41 0.02 0.00 0.00 175.26 175.30 1j5i n GLY 107 N 4.32 1.13 3.84 -1.39 0.00 -1.26 -3.99 105.19 107.84 1j5i n GLY 107 Ca -0.03 -0.26 -0.37 0.00 0.00 0.00 0.00 46.02 45.37 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 -1.89 5.35 -0.75 1.61 0.11 0.65 -4.70 120.40 120.78 1j5i s VAL 108 Ca 0.00 0.41 -0.26 0.00 -2.93 0.00 0.00 61.98 59.21 1j5i s VAL 108 Cb 0.00 -3.52 -0.05 0.00 -1.53 0.00 0.00 36.38 31.28 1j5i s VAL 108 CO 0.00 0.57 2.03 0.00 -3.33 0.00 0.00 175.10 174.36 1j5i s ALA 109 N -0.74 1.70 0.24 1.54 0.00 -1.26 -0.58 121.76 122.65 1j5i s ALA 109 Ca 0.17 -0.98 -0.30 0.00 0.00 0.00 0.00 51.96 50.85 1j5i s ALA 109 Cb -0.13 -4.46 -0.09 0.00 0.00 0.00 0.00 23.12 18.44 1j5i s ALA 109 CO 0.06 -4.63 0.96 0.42 0.00 0.00 0.00 175.76 172.57 1j5i s ILE 110 N 10.59 4.01 0.00 0.00 1.09 -0.68 -4.55 121.20 131.67 1j5i s ILE 110 Ca 0.75 2.01 0.00 0.00 -1.10 0.00 0.00 60.65 62.31 1j5i s ILE 110 Cb -0.10 -4.28 0.00 0.00 -1.06 0.00 0.00 42.46 37.01 1j5i s ILE 110 CO 0.10 0.47 0.00 -0.24 -0.10 0.00 0.00 174.94 175.18 1j5i n SER 111 N 1.50 0.00 -3.73 3.58 2.88 -0.68 -4.28 113.62 112.89 1j5i n SER 111 Ca -0.02 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.38 1j5i n SER 111 Cb 0.47 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.78 1j5i n SER 111 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 1j5i s PHE 112 N 0.00 -0.16 -0.60 0.66 -0.12 -1.06 0.19 117.98 116.89 1j5i s PHE 112 Ca 0.00 0.50 0.00 0.00 -0.05 0.00 0.00 56.93 57.38 1j5i s PHE 112 Cb 0.00 -0.13 0.00 0.00 -0.63 0.00 0.00 43.02 42.26 1j5i s PHE 112 CO 0.00 -0.19 0.15 -1.71 -0.05 0.00 0.00 175.22 173.42