#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 -2.80 -0.95 0.00 0.00 -1.26 -5.09 121.76 111.65 1j5i s ALA 2 Ca 0.00 1.13 -0.24 0.00 0.00 0.00 0.00 51.96 52.85 1j5i s ALA 2 Cb 0.00 -2.61 0.00 0.00 0.00 0.00 0.00 23.12 20.51 1j5i s ALA 2 CO 0.00 -1.90 1.68 -1.25 0.00 0.00 0.00 175.76 174.29 1j5i s PRO 3 N 2.85 3.08 2.22 0.00 0.04 -1.26 -3.79 135.00 138.15 1j5i s PRO 3 Ca 0.14 -0.68 0.00 0.00 0.04 0.00 0.00 61.00 60.50 1j5i s PRO 3 Cb -0.08 -5.17 0.00 0.00 0.04 0.00 0.00 34.50 29.29 1j5i s PRO 3 CO -0.25 -2.75 0.00 0.25 0.04 0.00 0.00 177.00 174.28 1j5i n THR 4 N 7.34 0.00 -1.75 1.26 -2.24 -1.20 -4.53 114.28 113.16 1j5i n THR 4 Ca 0.35 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.71 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 -1.73 3.89 -0.06 6.98 0.00 -1.24 -3.08 121.76 126.51 1j5i s ALA 5 Ca 0.00 1.54 -0.15 0.00 0.00 0.00 0.00 51.96 53.35 1j5i s ALA 5 Cb 0.00 -3.70 0.03 0.00 0.00 0.00 0.00 23.12 19.45 1j5i s ALA 5 CO 0.00 -0.98 0.35 0.95 0.00 0.00 0.00 175.76 176.09 1j5i s THR 6 N 1.52 0.03 -0.09 0.00 -4.23 0.40 -4.18 115.64 109.10 1j5i s THR 6 Ca 0.76 -0.27 -0.30 0.00 -1.18 0.00 0.00 61.69 60.70 1j5i s THR 6 Cb -0.48 -0.60 -0.03 0.00 1.34 0.00 0.00 72.50 72.73 1j5i s THR 6 CO 0.33 -0.15 1.26 -0.69 -0.54 0.00 0.00 174.62 174.83 1j5i s VAL 7 N -0.75 4.18 0.01 2.29 1.01 -1.26 -1.72 120.40 124.15 1j5i s VAL 7 Ca -0.08 1.48 -0.02 0.00 0.00 0.00 0.00 61.98 63.35 1j5i s VAL 7 Cb -0.04 -3.95 -0.01 0.00 0.00 0.00 0.00 36.38 32.38 1j5i s VAL 7 CO 0.03 -0.05 0.67 0.41 0.00 0.00 0.00 175.10 176.15 1j5i n THR 8 N 4.94 -0.05 0.00 3.92 -1.04 -0.58 -4.46 114.28 117.01 1j5i n THR 8 Ca 0.13 1.01 0.00 0.00 -2.04 0.00 0.00 64.05 63.14 1j5i n THR 8 Cb 0.45 -1.33 0.00 0.00 -1.82 0.00 0.00 70.33 67.64 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 -2.88 1.08 0.00 -2.82 -0.04 -1.26 -5.06 135.00 124.01 1j5i n PRO 9 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1j5i n PRO 9 Cb 0.02 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.48 1j5i n PRO 9 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1j5i n SER 10 N 0.00 0.06 -2.96 3.54 7.64 -1.26 -4.88 113.62 115.76 1j5i n SER 10 Ca 0.00 0.00 -0.18 0.00 1.01 0.00 0.00 58.87 59.70 1j5i n SER 10 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 1j5i n SER 10 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1j5i n SER 11 N -2.49 4.30 0.12 6.43 3.41 -1.26 -1.86 113.62 122.27 1j5i n SER 11 Ca 0.00 -2.24 0.07 0.00 -0.26 0.00 0.00 58.87 56.44 1j5i n SER 11 Cb 0.08 -1.00 0.38 0.00 -0.26 0.00 0.00 64.21 63.41 1j5i n SER 11 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1j5i n GLY 12 N 3.54 -0.69 3.40 5.00 0.00 -1.23 -4.30 105.19 110.90 1j5i n GLY 12 Ca 0.38 0.13 -0.23 0.00 0.00 0.00 0.00 46.02 46.30 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 -2.00 0.47 -3.67 0.99 -0.00 0.83 -4.50 117.00 109.11 1j5i n LEU 13 Ca -0.01 -1.68 -0.10 0.00 -0.00 0.00 0.00 56.01 54.22 1j5i n LEU 13 Cb 0.12 -0.86 -0.11 0.00 -0.00 0.00 0.00 43.42 42.57 1j5i n LEU 13 CO 0.06 -2.39 0.01 -0.55 -0.00 0.00 0.00 177.39 174.52 1j5i s SER 14 N 6.13 -0.26 -0.82 1.45 0.15 -1.26 -4.66 113.70 114.42 1j5i s SER 14 Ca 0.55 0.89 -0.13 0.00 0.70 0.00 0.00 55.95 57.96 1j5i s SER 14 Cb 0.04 1.04 -0.25 0.00 -1.71 0.00 0.00 66.02 65.15 1j5i s SER 14 CO 0.20 -0.22 1.92 -0.90 1.20 0.00 0.00 173.24 175.45 1j5i n ASP 15 N 4.97 -0.73 -3.40 5.45 3.85 -1.26 -0.00 116.55 125.43 1j5i n ASP 15 Ca -0.14 -0.25 -0.14 0.00 -0.71 0.00 0.00 54.79 53.55 1j5i n ASP 15 Cb 0.51 -0.54 0.01 0.00 -1.35 0.00 0.00 41.12 39.76 1j5i n ASP 15 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1j5i n GLY 16 N 4.80 -1.21 3.71 6.12 0.00 -1.07 -4.90 105.19 112.64 1j5i n GLY 16 Ca 0.55 0.51 -0.42 0.00 0.00 0.00 0.00 46.02 46.67 1j5i n GLY 16 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1j5i s THR 17 N -3.12 4.10 -0.29 2.61 -1.32 0.99 -4.44 115.64 114.17 1j5i s THR 17 Ca 0.13 1.49 -0.18 0.00 -1.21 0.00 0.00 61.69 61.92 1j5i s THR 17 Cb -0.04 -3.96 -0.02 0.00 -1.51 0.00 0.00 72.50 66.97 1j5i s THR 17 CO 0.81 0.09 0.52 -0.69 -2.21 0.00 0.00 174.62 173.14 1j5i s VAL 18 N 1.31 5.05 0.23 5.08 1.01 -1.26 0.20 120.40 132.02 1j5i s VAL 18 Ca 0.58 0.72 0.03 0.00 0.00 0.00 0.00 61.98 63.31 1j5i s VAL 18 Cb -0.28 -3.87 -0.01 0.00 0.00 0.00 0.00 36.38 32.21 1j5i s VAL 18 CO 0.28 -0.01 0.24 1.33 0.00 0.00 0.00 175.10 176.93 1j5i n VAL 19 N 5.26 0.00 -4.88 2.92 0.24 -0.31 -4.98 118.33 116.57 1j5i n VAL 19 Ca -0.04 -1.52 -0.32 0.00 -2.04 0.00 0.00 64.34 60.41 1j5i n VAL 19 Cb 0.49 0.80 -0.16 0.00 -1.47 0.00 0.00 33.84 33.51 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 -2.80 3.13 -0.64 7.34 1.02 -1.26 -1.56 119.74 124.97 1j5i s LYS 20 Ca 0.25 -0.82 -0.16 0.00 0.02 0.00 0.00 55.97 55.26 1j5i s LYS 20 Cb 0.01 -2.45 0.15 0.00 -0.52 0.00 0.00 37.83 35.02 1j5i s LYS 20 CO 0.18 0.11 0.62 0.08 -0.92 0.00 0.00 175.35 175.41 1j5i s VAL 21 N 0.55 5.26 -0.00 3.17 1.01 0.35 -1.52 120.40 129.22 1j5i s VAL 21 Ca -0.12 -1.72 -0.20 0.00 0.00 0.00 0.00 61.98 59.94 1j5i s VAL 21 Cb -0.17 -4.41 -0.05 0.00 0.00 0.00 0.00 36.38 31.75 1j5i s VAL 21 CO 0.04 -0.97 0.58 0.00 0.00 0.00 0.00 175.10 174.75 1j5i s ALA 22 N 1.36 3.50 -0.19 5.51 0.00 -0.70 -1.65 121.76 129.59 1j5i s ALA 22 Ca 0.09 0.01 -0.00 0.00 0.00 0.00 0.00 51.96 52.06 1j5i s ALA 22 Cb -0.23 -2.72 0.01 0.00 0.00 0.00 0.00 23.12 20.18 1j5i s ALA 22 CO -0.00 0.18 -0.15 0.20 0.00 0.00 0.00 175.76 175.99 1j5i s GLY 23 N -0.24 1.46 -0.61 0.00 0.00 0.17 -0.45 107.32 107.65 1j5i s GLY 23 Ca 0.30 -1.20 -0.13 0.00 0.00 0.00 0.00 44.72 43.70 1j5i s GLY 23 CO 0.17 0.31 0.53 0.00 0.00 0.00 0.00 173.10 174.11 1j5i s ALA 24 N 1.32 3.70 0.00 3.20 0.00 -1.18 -1.29 121.76 127.53 1j5i s ALA 24 Ca 0.05 -2.80 0.00 0.00 0.00 0.00 0.00 51.96 49.21 1j5i s ALA 24 Cb -0.13 -3.20 0.00 0.00 0.00 0.00 0.00 23.12 19.79 1j5i s ALA 24 CO -0.10 -2.07 0.00 0.41 0.00 0.00 0.00 175.76 174.01 1j5i n GLY 25 N 4.72 1.16 0.00 0.00 0.00 0.22 -3.23 105.19 108.05 1j5i n GLY 25 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -4.52 0.99 -0.00 -0.50 -4.74 117.00 108.24 1j5i n LEU 26 Ca 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 56.01 55.85 1j5i n LEU 26 Cb 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 43.42 43.29 1j5i n LEU 26 CO 0.00 0.00 1.53 0.00 -0.00 0.00 0.00 177.39 178.92 1j5i n GLN 27 N 0.00 0.30 -1.55 1.96 1.13 -1.26 -4.60 117.38 113.36 1j5i n GLN 27 Ca 0.00 -0.55 -0.13 0.00 -1.94 0.00 0.00 57.00 54.38 1j5i n GLN 27 Cb 0.00 -2.59 -0.10 0.00 0.11 0.00 0.00 30.24 27.66 1j5i n GLN 27 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1j5i n ALA 28 N 13.29 0.28 -0.98 -1.58 0.00 -1.26 -1.32 120.51 128.95 1j5i n ALA 28 Ca 0.53 -1.79 0.00 0.00 0.00 0.00 0.00 53.44 52.17 1j5i n ALA 28 Cb 0.33 -3.20 0.00 0.00 0.00 0.00 0.00 19.45 16.58 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 6.36 0.69 2.04 0.00 0.00 -0.39 -4.78 105.19 109.11 1j5i n GLY 29 Ca 0.43 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.32 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 -2.42 0.00 -3.66 2.61 -1.04 -0.43 -4.80 114.28 104.54 1j5i n THR 30 Ca 0.00 -0.80 -0.24 0.00 -2.04 0.00 0.00 64.05 60.97 1j5i n THR 30 Cb 0.02 -1.18 -0.17 0.00 -1.82 0.00 0.00 70.33 67.17 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 -3.08 0.44 0.35 2.41 0.00 -1.26 -1.55 121.76 119.06 1j5i s ALA 31 Ca 0.35 -0.15 0.09 0.00 0.00 0.00 0.00 51.96 52.25 1j5i s ALA 31 Cb -0.02 -0.88 -0.06 0.00 0.00 0.00 0.00 23.12 22.16 1j5i s ALA 31 CO 0.24 -0.87 -0.02 0.71 0.00 0.00 0.00 175.76 175.81 1j5i s TYR 32 N 2.11 2.49 -0.15 0.00 1.51 0.09 -4.63 117.35 118.77 1j5i s TYR 32 Ca 0.03 -0.48 -0.19 0.00 -1.01 0.00 0.00 57.07 55.42 1j5i s TYR 32 Cb -0.14 -1.48 -0.04 0.00 -0.11 0.00 0.00 41.96 40.19 1j5i s TYR 32 CO -0.06 0.51 0.51 -0.51 -1.11 0.00 0.00 175.55 174.89 1j5i s ASP 33 N -3.68 6.66 -0.14 2.29 1.01 0.08 -0.91 116.67 121.98 1j5i s ASP 33 Ca 0.34 0.79 -0.07 0.00 0.71 0.00 0.00 52.55 54.32 1j5i s ASP 33 Cb 0.02 -2.30 -0.04 0.00 1.01 0.00 0.00 42.92 41.60 1j5i s ASP 33 CO 0.18 -0.09 0.13 -0.69 0.21 0.00 0.00 175.17 174.92 1j5i s VAL 34 N 1.06 5.41 0.00 -1.27 1.01 -0.42 0.25 120.40 126.43 1j5i s VAL 34 Ca 0.26 0.18 0.00 0.00 0.00 0.00 0.00 61.98 62.42 1j5i s VAL 34 Cb -0.15 -3.38 0.00 0.00 0.00 0.00 0.00 36.38 32.84 1j5i s VAL 34 CO 0.11 0.57 0.00 0.61 0.00 0.00 0.00 175.10 176.39 1j5i n GLY 35 N 2.40 1.46 3.54 4.51 0.00 -0.69 -0.49 105.19 115.92 1j5i n GLY 35 Ca -0.19 0.38 -0.35 0.00 0.00 0.00 0.00 46.02 45.86 1j5i n GLY 35 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j5i n GLN 36 N 0.00 0.80 -4.12 1.61 10.64 -1.26 -4.30 117.38 120.75 1j5i n GLN 36 Ca 0.00 -0.07 -0.24 0.00 -1.83 0.00 0.00 57.00 54.86 1j5i n GLN 36 Cb 0.00 -3.08 -0.05 0.00 -0.86 0.00 0.00 30.24 26.25 1j5i n GLN 36 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1j5i n ALA 38 N -0.79 0.00 -2.23 0.00 0.00 -0.51 -1.53 120.51 115.45 1j5i n ALA 38 Ca -0.08 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.93 1j5i n ALA 38 Cb 0.57 0.00 -0.02 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 2.24 -0.26 0.00 -2.14 -1.26 0.59 118.94 116.11 1j5i s TRP 39 Ca 0.00 0.66 -0.10 0.00 2.66 0.00 0.00 56.10 59.32 1j5i s TRP 39 Cb 0.00 -4.15 -0.15 0.00 -3.10 0.00 0.00 33.47 26.07 1j5i s TRP 39 CO 0.00 -2.37 -0.21 1.55 -2.66 0.00 0.00 176.95 173.26 1j5i n VAL 40 N 6.91 1.54 -0.59 -0.66 3.14 -0.45 -4.60 118.33 123.62 1j5i n VAL 40 Ca 0.18 -0.41 0.00 0.00 -2.96 0.00 0.00 64.34 61.15 1j5i n VAL 40 Cb 0.47 -1.77 0.00 0.00 -1.06 0.00 0.00 33.84 31.48 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 -3.96 0.00 -4.58 6.55 4.64 -1.20 -4.86 116.55 113.14 1j5i n ASP 41 Ca -0.48 -0.07 -0.24 0.00 -1.38 0.00 0.00 54.79 52.61 1j5i n ASP 41 Cb 0.90 0.00 -0.08 0.00 -1.04 0.00 0.00 41.12 40.90 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 0.44 3.39 -1.44 5.18 2.01 -1.26 -3.18 115.64 120.79 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 -4.42 0.00 0.00 0.01 0.00 0.00 72.50 68.09 1j5i s THR 42 CO 0.00 -0.72 0.00 0.61 -0.69 0.00 0.00 174.62 173.82 1j5i n GLY 43 N 5.89 1.23 3.49 4.40 0.00 -1.26 -4.96 105.19 113.97 1j5i n GLY 43 Ca 0.44 -0.36 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.54 5.15 -0.63 1.61 1.01 -1.19 -4.96 120.40 118.84 1j5i s VAL 44 Ca 0.00 -0.36 -0.26 0.00 0.00 0.00 0.00 61.98 61.36 1j5i s VAL 44 Cb 0.00 -3.97 -0.07 0.00 0.00 0.00 0.00 36.38 32.34 1j5i s VAL 44 CO 0.00 -0.33 2.25 -0.76 0.00 0.00 0.00 175.10 176.26 1j5i s LEU 45 N 2.00 3.23 -0.08 3.92 1.43 -1.26 -1.34 118.68 126.58 1j5i s LEU 45 Ca 0.10 0.52 -0.01 0.00 -1.03 0.00 0.00 54.13 53.71 1j5i s LEU 45 Cb -0.17 -2.52 -0.03 0.00 0.03 0.00 0.00 46.19 43.49 1j5i s LEU 45 CO 0.12 -3.01 -0.02 0.00 0.23 0.00 0.00 176.35 173.68 1j5i s ALA 46 N 12.00 3.20 0.21 4.21 0.00 0.20 -2.19 121.76 139.39 1j5i s ALA 46 Ca 0.88 -0.83 0.00 0.00 0.00 0.00 0.00 51.96 52.01 1j5i s ALA 46 Cb -0.14 -1.41 -0.04 0.00 0.00 0.00 0.00 23.12 21.53 1j5i s ALA 46 CO 0.18 0.58 0.38 0.00 0.00 0.00 0.00 175.76 176.90 1j5i s ASN 48 N -3.30 4.75 0.34 0.00 0.02 -1.18 0.86 114.94 116.42 1j5i s ASN 48 Ca 0.38 0.91 0.26 0.00 -1.02 0.00 0.00 52.86 53.39 1j5i s ASN 48 Cb -0.11 -1.50 0.89 0.00 0.02 0.00 0.00 41.25 40.55 1j5i s ASN 48 CO 0.29 -1.76 1.77 1.55 0.02 0.00 0.00 177.10 178.97 1j5i h PRO 49 N -0.95 0.00 -0.45 -0.60 0.13 -1.88 -2.58 132.00 125.66 1j5i h PRO 49 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1j5i h PRO 49 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 1j5i h PRO 49 CO 0.65 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.42 1j5i n ALA 50 N -1.90 2.84 0.40 -0.56 0.00 -1.26 -4.35 120.51 115.67 1j5i n ALA 50 Ca 0.03 -1.70 0.04 0.00 0.00 0.00 0.00 53.44 51.81 1j5i n ALA 50 Cb 0.36 -0.77 0.17 0.00 0.00 0.00 0.00 19.45 19.21 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 0.47 2.70 -4.23 0.00 2.03 -0.97 -4.63 116.55 111.92 1j5i n ASP 51 Ca 0.21 -2.29 -0.42 0.00 0.52 0.00 0.00 54.79 52.81 1j5i n ASP 51 Cb 0.78 -0.48 -0.05 0.00 -0.72 0.00 0.00 41.12 40.66 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 -1.72 3.76 -0.42 -0.67 0.08 -1.23 -3.03 117.98 114.75 1j5i s PHE 52 Ca 0.23 -2.47 0.04 0.00 0.12 0.00 0.00 56.93 54.86 1j5i s PHE 52 Cb 0.16 -3.56 0.17 0.00 -0.57 0.00 0.00 43.02 39.22 1j5i s PHE 52 CO 0.09 -0.90 0.44 0.45 -0.10 0.00 0.00 175.22 175.21 1j5i s SER 53 N 1.24 0.65 0.55 1.36 0.15 0.36 -4.99 113.70 113.01 1j5i s SER 53 Ca 0.21 -2.14 -0.21 0.00 0.70 0.00 0.00 55.95 54.51 1j5i s SER 53 Cb -0.12 0.53 -0.05 0.00 -1.71 0.00 0.00 66.02 64.66 1j5i s SER 53 CO -0.08 -0.18 1.21 -1.54 1.20 0.00 0.00 173.24 173.85 1j5i n SER 54 N 3.46 1.98 -3.52 5.45 3.41 -1.26 -1.31 113.62 121.83 1j5i n SER 54 Ca 0.19 0.94 -0.17 0.00 -0.26 0.00 0.00 58.87 59.57 1j5i n SER 54 Cb 0.49 -1.50 -0.05 0.00 -0.26 0.00 0.00 64.21 62.88 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 -1.35 0.00 0.12 -3.33 0.11 -0.09 -4.80 120.40 111.07 1j5i s VAL 55 Ca 0.72 -0.03 0.10 0.00 -2.93 0.00 0.00 61.98 59.84 1j5i s VAL 55 Cb -0.43 -0.98 -0.04 0.00 -1.53 0.00 0.00 36.38 33.39 1j5i s VAL 55 CO 0.49 -0.02 -0.26 -0.89 -3.33 0.00 0.00 175.10 171.10 1j5i s THR 56 N -1.69 2.14 0.01 5.04 2.01 -1.26 -0.73 115.64 121.16 1j5i s THR 56 Ca -0.09 -1.70 0.01 0.00 0.31 0.00 0.00 61.69 60.22 1j5i s THR 56 Cb -0.00 -1.90 -0.04 0.00 0.01 0.00 0.00 72.50 70.57 1j5i s THR 56 CO 0.05 0.07 0.04 0.00 -0.69 0.00 0.00 174.62 174.10 1j5i s ALA 57 N -1.06 3.45 0.76 7.40 0.00 -0.60 -4.27 121.76 127.43 1j5i s ALA 57 Ca 0.12 -0.92 -0.11 0.00 0.00 0.00 0.00 51.96 51.05 1j5i s ALA 57 Cb -0.10 -1.46 0.05 0.00 0.00 0.00 0.00 23.12 21.61 1j5i s ALA 57 CO 0.05 0.68 1.10 -0.51 0.00 0.00 0.00 175.76 177.08 1j5i s ASP 58 N -1.72 4.57 0.57 0.00 -0.00 0.11 -1.26 116.67 118.94 1j5i s ASP 58 Ca 0.22 1.86 0.43 0.00 -0.00 0.00 0.00 52.55 55.06 1j5i s ASP 58 Cb -0.12 -2.53 1.52 0.00 -0.00 0.00 0.00 42.92 41.80 1j5i s ASP 58 CO 0.13 -1.99 1.53 0.00 -0.00 0.00 0.00 175.17 174.83 1j5i h ALA 59 N -0.96 3.58 -0.44 5.23 0.00 -1.87 2.97 119.26 127.78 1j5i h ALA 59 Ca -0.44 -0.06 -0.26 0.00 0.00 0.00 0.00 54.91 54.15 1j5i h ALA 59 Cb 1.23 0.12 -0.13 0.00 0.00 0.00 0.00 17.79 19.02 1j5i h ALA 59 CO 0.52 -2.18 0.33 -1.71 0.00 0.00 0.00 179.25 176.21 1j5i n ASN 60 N -3.77 4.72 -4.41 0.00 5.15 -1.26 -4.42 115.26 111.27 1j5i n ASN 60 Ca 0.37 -2.84 -0.40 0.00 -0.60 0.00 0.00 54.58 51.11 1j5i n ASN 60 Cb 1.82 -0.84 -0.06 0.00 -0.53 0.00 0.00 39.78 40.18 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 0.09 -0.40 3.29 8.20 0.00 0.99 -4.09 105.19 113.26 1j5i n GLY 61 Ca 0.27 0.10 -0.45 0.00 0.00 0.00 0.00 46.02 45.94 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 -3.33 6.22 -0.56 1.61 0.01 -0.95 0.69 113.70 117.39 1j5i s SER 62 Ca 0.75 -2.14 -0.12 0.00 1.31 0.00 0.00 55.95 55.75 1j5i s SER 62 Cb -0.43 -2.15 0.14 0.00 0.21 0.00 0.00 66.02 63.79 1j5i s SER 62 CO 0.99 -0.72 0.47 0.00 0.41 0.00 0.00 173.24 174.39 1j5i s ALA 63 N 1.03 3.60 -0.69 1.44 0.00 -0.41 0.06 121.76 126.79 1j5i s ALA 63 Ca 0.09 -2.72 -0.13 0.00 0.00 0.00 0.00 51.96 49.20 1j5i s ALA 63 Cb -0.23 -3.06 0.18 0.00 0.00 0.00 0.00 23.12 20.01 1j5i s ALA 63 CO -0.02 -2.02 0.62 -1.12 0.00 0.00 0.00 175.76 173.23 1j5i s SER 64 N 2.74 6.36 0.29 0.00 0.01 -1.26 0.45 113.70 122.30 1j5i s SER 64 Ca 0.08 -2.37 0.07 0.00 1.31 0.00 0.00 55.95 55.04 1j5i s SER 64 Cb -0.25 -2.16 -0.03 0.00 0.21 0.00 0.00 66.02 63.79 1j5i s SER 64 CO -0.01 -0.65 0.24 0.28 0.41 0.00 0.00 173.24 173.51 1j5i s THR 65 N 0.68 4.01 -0.05 1.44 -1.32 -0.66 -4.92 115.64 114.82 1j5i s THR 65 Ca 0.12 -1.39 -0.01 0.00 -1.21 0.00 0.00 61.69 59.20 1j5i s THR 65 Cb -0.18 -3.30 0.03 0.00 -1.51 0.00 0.00 72.50 67.54 1j5i s THR 65 CO -0.04 -0.27 0.03 -0.94 -2.21 0.00 0.00 174.62 171.19 1j5i s SER 66 N -3.91 1.18 0.33 8.08 1.04 -1.26 0.13 113.70 119.28 1j5i s SER 66 Ca 0.37 -0.00 -0.08 0.00 0.48 0.00 0.00 55.95 56.72 1j5i s SER 66 Cb -0.07 -0.27 0.01 0.00 0.10 0.00 0.00 66.02 65.79 1j5i s SER 66 CO 0.26 -0.20 0.54 -0.22 0.98 0.00 0.00 173.24 174.59 1j5i s LEU 67 N 1.89 0.65 -0.12 2.42 1.98 -0.60 -4.99 118.68 119.91 1j5i s LEU 67 Ca 0.02 -1.29 -0.04 0.00 -2.89 0.00 0.00 54.13 49.94 1j5i s LEU 67 Cb -0.12 1.80 -0.04 0.00 0.66 0.00 0.00 46.19 48.49 1j5i s LEU 67 CO -0.04 -1.34 0.03 0.28 -1.89 0.00 0.00 176.35 173.40 1j5i s THR 68 N -3.15 4.58 -1.08 3.68 -1.32 -1.26 -1.16 115.64 115.93 1j5i s THR 68 Ca 0.26 -0.13 -0.16 0.00 -1.21 0.00 0.00 61.69 60.44 1j5i s THR 68 Cb -0.01 -2.97 0.15 0.00 -1.51 0.00 0.00 72.50 68.15 1j5i s THR 68 CO 0.16 0.57 1.30 -0.69 -2.21 0.00 0.00 174.62 173.75 1j5i s VAL 69 N -0.57 4.86 -1.26 5.08 1.01 0.54 -4.80 120.40 125.25 1j5i s VAL 69 Ca 0.10 -2.12 -0.10 0.00 0.00 0.00 0.00 61.98 59.87 1j5i s VAL 69 Cb -0.12 -4.86 0.18 0.00 0.00 0.00 0.00 36.38 31.58 1j5i s VAL 69 CO 0.02 -1.59 1.79 0.54 0.00 0.00 0.00 175.10 175.87 1j5i n ARG 70 N 6.16 3.64 -0.43 2.72 5.12 -1.26 -2.46 116.66 130.15 1j5i n ARG 70 Ca 0.31 -3.64 0.35 0.00 -1.93 0.00 0.00 57.85 52.95 1j5i n ARG 70 Cb 0.46 -2.91 0.64 0.00 -1.16 0.00 0.00 32.46 29.49 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 5.91 0.12 -5.29 5.56 2.43 -1.90 -3.34 114.38 117.87 1j5i h ARG 71 Ca 0.37 -0.01 -0.61 0.00 -0.81 0.00 0.00 59.98 58.92 1j5i h ARG 71 Cb 0.66 -0.03 -0.13 0.00 -0.42 0.00 0.00 29.97 30.05 1j5i h ARG 71 CO 1.56 0.08 -0.21 -1.54 -1.51 0.00 0.00 179.97 178.35 1j5i s SER 72 N -4.62 6.35 0.00 -3.80 1.04 -1.24 -1.10 113.70 110.33 1j5i s SER 72 Ca -0.08 0.41 0.00 0.00 0.48 0.00 0.00 55.95 56.76 1j5i s SER 72 Cb 0.29 -2.22 0.00 0.00 0.10 0.00 0.00 66.02 64.18 1j5i s SER 72 CO 0.82 -0.13 0.00 0.49 0.98 0.00 0.00 173.24 175.40 1j5i n PHE 73 N 4.92 0.00 -2.65 5.02 3.72 -0.13 -4.90 117.46 123.44 1j5i n PHE 73 Ca -0.08 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.89 1j5i n PHE 73 Cb 0.51 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 39.03 1j5i n PHE 73 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 1j5i s GLU 74 N -2.00 3.89 0.86 -1.08 2.12 -1.26 -1.13 118.70 120.10 1j5i s GLU 74 Ca 0.00 0.78 -0.13 0.00 0.36 0.00 0.00 54.97 55.98 1j5i s GLU 74 Cb 0.00 -3.82 0.13 0.00 0.26 0.00 0.00 34.13 30.70 1j5i s GLU 74 CO 0.00 -1.11 1.22 0.20 -0.54 0.00 0.00 175.26 175.03 1j5i s GLY 75 N 2.02 1.68 -0.08 -1.50 0.00 0.11 -2.98 107.32 106.58 1j5i s GLY 75 Ca 0.45 -0.94 -0.02 0.00 0.00 0.00 0.00 44.72 44.22 1j5i s GLY 75 CO 0.23 -0.34 0.01 -1.36 0.00 0.00 0.00 173.10 171.64 1j5i s PHE 76 N -3.67 0.69 1.01 1.90 0.40 0.25 -0.98 117.98 117.57 1j5i s PHE 76 Ca 0.67 -0.22 -0.21 0.00 -0.60 0.00 0.00 56.93 56.57 1j5i s PHE 76 Cb -0.08 -0.82 -0.12 0.00 0.51 0.00 0.00 43.02 42.52 1j5i s PHE 76 CO 0.50 -0.35 -0.85 1.28 0.70 0.00 0.00 175.22 176.50 1j5i n LEU 77 N 5.14 -3.82 0.09 -0.37 4.77 0.12 -1.12 117.00 121.81 1j5i n LEU 77 Ca -0.07 0.10 -0.07 0.00 -0.03 0.00 0.00 56.01 55.94 1j5i n LEU 77 Cb 0.50 -0.74 0.02 0.00 -2.33 0.00 0.00 43.42 40.87 1j5i n LEU 77 CO 0.11 -4.13 0.30 2.19 -1.33 0.00 0.00 177.39 174.52 1j5i h PHE 78 N -1.19 0.21 0.62 -1.77 -0.00 -1.71 -3.29 116.94 109.81 1j5i h PHE 78 Ca -0.43 -0.11 -0.03 0.00 -0.00 0.00 0.00 57.97 57.40 1j5i h PHE 78 Cb 1.34 -0.02 0.01 0.00 -0.00 0.00 0.00 35.95 37.27 1j5i h PHE 78 CO 0.15 0.90 -0.30 0.22 -0.00 0.00 0.00 178.31 179.28 1j5i h ASP 79 N 0.08 -0.71 0.00 -0.68 -0.00 -1.89 -3.47 116.42 109.75 1j5i h ASP 79 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.00 1j5i h ASP 79 Cb 1.44 0.18 0.00 0.00 -0.00 0.00 0.00 39.33 40.95 1j5i h ASP 79 CO 0.12 -0.46 0.00 0.61 -0.00 0.00 0.00 179.24 179.51 1j5i n GLY 80 N -1.25 0.29 3.75 -0.78 0.00 -1.24 -5.14 105.19 100.82 1j5i n GLY 80 Ca -0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.48 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 3.05 0.21 2.61 2.01 -1.26 -4.74 115.64 117.52 1j5i s THR 81 Ca 0.00 0.94 -0.30 0.00 0.31 0.00 0.00 61.69 62.64 1j5i s THR 81 Cb 0.00 -3.60 -0.08 0.00 0.01 0.00 0.00 72.50 68.83 1j5i s THR 81 CO 0.00 0.17 1.09 0.00 -0.69 0.00 0.00 174.62 175.19 1j5i s ARG 82 N -0.76 4.62 0.00 4.92 1.70 -1.26 0.15 118.95 128.32 1j5i s ARG 82 Ca 0.53 1.72 0.00 0.00 -0.47 0.00 0.00 55.73 57.51 1j5i s ARG 82 Cb -0.37 -3.26 0.00 0.00 -0.57 0.00 0.00 34.95 30.75 1j5i s ARG 82 CO 0.43 0.14 0.00 1.87 -1.08 0.00 0.00 175.30 176.66 1j5i n TRP 83 N 2.02 0.00 0.00 5.89 -0.00 -0.16 -4.74 117.44 120.45 1j5i n TRP 83 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.51 1j5i n TRP 83 Cb 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.77 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 3.08 0.94 5.00 5.87 0.00 -0.81 -4.76 105.19 114.52 1j5i n GLY 84 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 0.08 114.28 114.66 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 -1.80 12.58 0.31 -0.28 -4.76 118.33 124.38 1j5i n VAL 86 Ca 0.00 0.00 -0.36 0.00 -0.01 0.00 0.00 64.34 63.97 1j5i n VAL 86 Cb 0.00 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 32.90 1j5i n VAL 86 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1j5i s ASP 87 N -4.00 4.82 -1.52 4.52 2.15 -1.26 -0.95 116.67 120.43 1j5i s ASP 87 Ca 0.00 0.65 -0.09 0.00 0.43 0.00 0.00 52.55 53.53 1j5i s ASP 87 Cb 0.00 -2.52 -0.01 0.00 -0.30 0.00 0.00 42.92 40.09 1j5i s ASP 87 CO 0.00 -2.68 2.69 0.00 -0.17 0.00 0.00 175.17 175.02 1j5i n THR 89 N 3.30 0.00 -0.07 0.00 -1.04 -1.26 -4.54 114.28 110.66 1j5i n THR 89 Ca 0.70 -0.17 -0.08 0.00 -2.04 0.00 0.00 64.05 62.46 1j5i n THR 89 Cb 0.26 0.71 -0.04 0.00 -1.82 0.00 0.00 70.33 69.45 1j5i n THR 89 CO 0.00 0.00 0.00 0.74 -0.64 0.00 0.00 175.07 175.17 1j5i h THR 90 N 0.00 0.25 -3.33 12.58 2.02 -2.00 -3.46 112.91 118.97 1j5i h THR 90 Ca 0.00 -1.28 -0.57 0.00 0.77 0.00 0.00 66.41 65.33 1j5i h THR 90 Cb 0.58 0.57 -0.07 0.00 -1.74 0.00 0.00 68.15 67.49 1j5i h THR 90 CO 0.00 0.09 -0.07 0.00 0.37 0.00 0.00 175.52 175.90 1j5i s ALA 91 N -2.61 3.44 -0.10 6.16 0.00 -1.26 -5.01 121.76 122.38 1j5i s ALA 91 Ca -0.15 -0.09 -0.29 0.00 0.00 0.00 0.00 51.96 51.42 1j5i s ALA 91 Cb 0.02 -2.73 -0.05 0.00 0.00 0.00 0.00 23.12 20.36 1j5i s ALA 91 CO 0.28 -0.01 1.75 0.00 0.00 0.00 0.00 175.76 177.78 1j5i s ALA 92 N 0.61 3.43 -0.21 0.00 0.00 -1.26 -4.88 121.76 119.45 1j5i s ALA 92 Ca 0.29 0.86 -0.19 0.00 0.00 0.00 0.00 51.96 52.92 1j5i s ALA 92 Cb -0.16 -3.83 -0.03 0.00 0.00 0.00 0.00 23.12 19.11 1j5i s ALA 92 CO 0.13 -1.72 0.55 0.00 0.00 0.00 0.00 175.76 174.72 1j5i s GLN 94 N 1.84 3.78 -0.23 0.00 -2.07 -0.58 -1.87 119.66 120.53 1j5i s GLN 94 Ca 0.25 -0.44 -0.13 0.00 -1.82 0.00 0.00 55.36 53.22 1j5i s GLN 94 Cb -0.16 -3.16 -0.04 0.00 -1.09 0.00 0.00 33.01 28.56 1j5i s GLN 94 CO 0.10 0.11 0.29 0.08 -1.32 0.00 0.00 175.29 174.55 1j5i s VAL 95 N 0.78 5.26 0.07 3.63 1.01 0.08 -0.93 120.40 130.30 1j5i s VAL 95 Ca 0.02 0.46 -0.26 0.00 0.00 0.00 0.00 61.98 62.20 1j5i s VAL 95 Cb -0.14 -3.63 0.09 0.00 0.00 0.00 0.00 36.38 32.70 1j5i s VAL 95 CO 0.02 0.27 1.18 -0.83 0.00 0.00 0.00 175.10 175.75 1j5i s GLY 96 N 1.17 -0.05 -0.24 4.51 0.00 -1.26 0.24 107.32 111.69 1j5i s GLY 96 Ca 0.13 -0.06 -0.07 0.00 0.00 0.00 0.00 44.72 44.72 1j5i s GLY 96 CO 0.07 3.90 0.06 0.48 0.00 0.00 0.00 173.10 177.61 1j5i s LEU 97 N -3.58 3.45 0.33 0.66 2.34 -1.26 -1.70 118.68 118.92 1j5i s LEU 97 Ca 0.25 -0.18 0.07 0.00 0.06 0.00 0.00 54.13 54.33 1j5i s LEU 97 Cb -0.01 -1.91 -0.02 0.00 -0.56 0.00 0.00 46.19 43.69 1j5i s LEU 97 CO 0.01 -0.00 0.36 -0.94 -1.06 0.00 0.00 176.35 174.72 1j5i s SER 98 N 1.41 5.58 0.95 1.48 1.04 0.14 -4.80 113.70 119.50 1j5i s SER 98 Ca 0.05 -0.36 -0.11 0.00 0.48 0.00 0.00 55.95 56.02 1j5i s SER 98 Cb -0.15 -1.11 0.16 0.00 0.10 0.00 0.00 66.02 65.03 1j5i s SER 98 CO 0.03 -0.37 1.11 -1.81 0.98 0.00 0.00 173.24 173.19 1j5i s ASP 99 N -4.06 2.74 0.00 7.02 -0.00 -0.47 -0.74 116.67 121.16 1j5i s ASP 99 Ca 0.42 1.97 0.28 0.00 -0.00 0.00 0.00 52.55 55.22 1j5i s ASP 99 Cb -0.07 -2.48 1.12 0.00 -0.00 0.00 0.00 42.92 41.48 1j5i s ASP 99 CO 0.28 -3.18 1.78 0.00 -0.00 0.00 0.00 175.17 174.06 1j5i n ALA 100 N -4.27 2.67 0.07 5.23 0.00 -1.26 -3.40 120.51 119.55 1j5i n ALA 100 Ca 0.09 -0.40 0.02 0.00 0.00 0.00 0.00 53.44 53.16 1j5i n ALA 100 Cb 0.53 -1.21 -0.04 0.00 0.00 0.00 0.00 19.45 18.72 1j5i n ALA 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j5i h ALA 101 N 4.16 0.64 0.00 0.00 0.00 -1.98 -3.48 119.26 118.61 1j5i h ALA 101 Ca 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.29 1j5i h ALA 101 Cb 0.43 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1j5i h ALA 101 CO 0.00 0.70 0.00 0.41 0.00 0.00 0.00 179.25 180.36 1j5i n GLY 102 N 1.32 0.93 3.44 0.00 0.00 -1.22 -5.13 105.19 104.53 1j5i n GLY 102 Ca -0.05 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.75 -0.08 0.00 1.61 0.01 -1.26 -5.03 114.94 108.45 1j5i s ASN 103 Ca 0.00 -0.76 0.00 0.00 -0.71 0.00 0.00 52.86 51.39 1j5i s ASN 103 Cb 0.00 0.51 0.00 0.00 0.41 0.00 0.00 41.25 42.17 1j5i s ASN 103 CO 0.00 -0.99 0.00 0.61 -1.51 0.00 0.00 177.10 175.21 1j5i n GLY 104 N -0.28 0.43 1.89 0.66 0.00 -1.26 -1.37 105.19 105.25 1j5i n GLY 104 Ca -0.07 -0.72 -0.05 0.00 0.00 0.00 0.00 46.02 45.18 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 0.08 1.14 -3.32 1.61 -0.04 -1.26 -4.69 135.00 128.53 1j5i n PRO 105 Ca 0.00 -0.39 -0.38 0.00 -0.04 0.00 0.00 63.50 62.69 1j5i n PRO 105 Cb 0.00 -1.52 -0.06 0.00 -0.04 0.00 0.00 33.50 31.88 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 1.03 4.33 0.00 0.54 8.01 -1.26 -5.03 118.70 126.32 1j5i s GLU 106 Ca 0.26 0.45 0.00 0.00 0.01 0.00 0.00 54.97 55.70 1j5i s GLU 106 Cb 0.13 -3.43 0.00 0.00 -4.31 0.00 0.00 34.13 26.52 1j5i s GLU 106 CO 0.00 0.17 0.00 0.41 0.01 0.00 0.00 175.26 175.85 1j5i n GLY 107 N 3.23 1.05 3.43 -1.39 0.00 -1.26 -4.30 105.19 105.96 1j5i n GLY 107 Ca -0.07 -0.47 -0.37 0.00 0.00 0.00 0.00 46.02 45.11 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 4.29 -0.70 1.61 0.11 0.14 -4.68 120.40 119.17 1j5i s VAL 108 Ca 0.00 -0.25 -0.26 0.00 -2.93 0.00 0.00 61.98 58.54 1j5i s VAL 108 Cb 0.00 -3.05 -0.10 0.00 -1.53 0.00 0.00 36.38 31.70 1j5i s VAL 108 CO 0.00 0.29 2.33 0.00 -3.33 0.00 0.00 175.10 174.39 1j5i s ALA 109 N 1.60 1.16 0.24 1.54 0.00 -1.26 -0.74 121.76 124.29 1j5i s ALA 109 Ca 0.06 -0.61 -0.30 0.00 0.00 0.00 0.00 51.96 51.11 1j5i s ALA 109 Cb -0.15 -4.49 -0.09 0.00 0.00 0.00 0.00 23.12 18.38 1j5i s ALA 109 CO 0.04 -5.25 1.27 -1.50 0.00 0.00 0.00 175.76 170.32 1j5i s ILE 110 N 13.21 3.17 -0.86 0.00 1.10 -0.78 -4.86 121.20 132.18 1j5i s ILE 110 Ca 0.90 1.02 -0.07 0.00 -0.51 0.00 0.00 60.65 62.00 1j5i s ILE 110 Cb -0.13 -3.65 -0.06 0.00 0.15 0.00 0.00 42.46 38.76 1j5i s ILE 110 CO 0.13 0.18 2.04 -0.24 -2.11 0.00 0.00 174.94 174.95 1j5i n SER 111 N 2.06 4.46 -4.39 4.50 2.88 -0.78 -4.67 113.62 117.68 1j5i n SER 111 Ca 0.04 -2.35 -0.35 0.00 -1.33 0.00 0.00 58.87 54.88 1j5i n SER 111 Cb 0.43 -1.07 0.08 0.00 -0.75 0.00 0.00 64.21 62.90 1j5i n SER 111 CO 0.00 0.00 0.00 2.22 -1.23 0.00 0.00 175.04 176.03 1j5i n PHE 112 N 4.60 -1.55 0.63 0.66 1.16 -1.26 -0.12 117.46 121.57 1j5i n PHE 112 Ca 0.43 0.27 0.05 0.00 -1.87 0.00 0.00 57.45 56.33 1j5i n PHE 112 Cb 0.15 -1.81 0.30 0.00 -1.61 0.00 0.00 39.48 36.51 1j5i n PHE 112 CO 0.00 0.00 0.00 0.09 -1.87 0.00 0.00 176.76 174.98