#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 1.22 0.62 0.00 0.00 -1.26 -4.89 120.51 116.20 1j5i n ALA 2 Ca 0.00 -1.71 0.12 0.00 0.00 0.00 0.00 53.44 51.85 1j5i n ALA 2 Cb 0.00 -1.02 0.46 0.00 0.00 0.00 0.00 19.45 18.89 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 -0.29 0.12 0.00 0.00 -0.04 -1.26 -4.99 135.00 128.55 1j5i n PRO 3 Ca 0.02 0.23 0.00 0.00 -0.04 0.00 0.00 63.50 63.71 1j5i n PRO 3 Cb 0.81 -1.68 0.00 0.00 -0.04 0.00 0.00 33.50 32.58 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 -1.90 0.00 -2.48 0.52 -2.24 -0.73 -4.41 114.28 103.04 1j5i n THR 4 Ca 0.05 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.40 1j5i n THR 4 Cb 0.30 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.50 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 -1.89 3.09 -0.01 6.98 0.00 -1.22 -2.71 121.76 126.01 1j5i s ALA 5 Ca 0.00 -0.33 -0.09 0.00 0.00 0.00 0.00 51.96 51.54 1j5i s ALA 5 Cb 0.00 -3.92 0.01 0.00 0.00 0.00 0.00 23.12 19.20 1j5i s ALA 5 CO 0.00 -2.35 0.19 0.95 0.00 0.00 0.00 175.76 174.55 1j5i s THR 6 N 4.97 0.07 0.21 0.00 -4.23 0.11 -4.16 115.64 112.61 1j5i s THR 6 Ca 0.54 -0.55 -0.28 0.00 -1.18 0.00 0.00 61.69 60.22 1j5i s THR 6 Cb -0.10 -0.46 -0.09 0.00 1.34 0.00 0.00 72.50 73.19 1j5i s THR 6 CO 0.32 -0.30 0.88 -0.69 -0.54 0.00 0.00 174.62 174.30 1j5i s VAL 7 N -1.18 4.17 0.19 2.29 1.01 -1.26 -1.51 120.40 124.11 1j5i s VAL 7 Ca -0.13 1.96 -0.21 0.00 0.00 0.00 0.00 61.98 63.60 1j5i s VAL 7 Cb -0.06 -4.27 0.13 0.00 0.00 0.00 0.00 36.38 32.18 1j5i s VAL 7 CO 0.02 0.51 1.46 0.41 0.00 0.00 0.00 175.10 177.49 1j5i n THR 8 N 1.53 -0.55 0.00 3.92 -1.04 0.15 -4.46 114.28 113.84 1j5i n THR 8 Ca -0.03 2.23 0.00 0.00 -2.04 0.00 0.00 64.05 64.21 1j5i n THR 8 Cb 0.48 -2.88 0.00 0.00 -1.82 0.00 0.00 70.33 66.11 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 -5.31 1.08 0.18 -2.82 -0.04 -1.26 -5.06 135.00 121.75 1j5i n PRO 9 Ca 0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 1j5i n PRO 9 Cb 0.33 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.79 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 -2.33 -4.35 3.54 2.88 -1.26 -5.04 113.62 107.07 1j5i n SER 10 Ca 0.00 0.65 -0.18 0.00 -1.33 0.00 0.00 58.87 58.01 1j5i n SER 10 Cb 0.00 2.28 -0.10 0.00 -0.75 0.00 0.00 64.21 65.64 1j5i n SER 10 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1j5i s SER 11 N -3.18 1.61 -0.46 -3.46 0.15 -1.26 -1.79 113.70 105.31 1j5i s SER 11 Ca 0.00 -1.34 -0.00 0.00 0.70 0.00 0.00 55.95 55.31 1j5i s SER 11 Cb 0.00 0.07 0.00 0.00 -1.71 0.00 0.00 66.02 64.38 1j5i s SER 11 CO 0.00 -0.65 0.04 0.61 1.20 0.00 0.00 173.24 174.45 1j5i n GLY 12 N -0.50 0.20 3.93 9.45 0.00 -0.89 -4.82 105.19 112.56 1j5i n GLY 12 Ca -0.02 -0.62 -0.25 0.00 0.00 0.00 0.00 46.02 45.13 1j5i n GLY 12 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1j5i s LEU 13 N -1.77 3.32 0.12 0.99 1.43 -0.45 -5.05 118.68 117.27 1j5i s LEU 13 Ca 0.02 0.50 0.07 0.00 -1.03 0.00 0.00 54.13 53.69 1j5i s LEU 13 Cb -0.01 -3.33 -0.04 0.00 0.03 0.00 0.00 46.19 42.84 1j5i s LEU 13 CO 0.03 -1.02 -0.16 -0.55 0.23 0.00 0.00 176.35 174.88 1j5i s SER 14 N -4.31 2.20 -0.94 2.29 0.15 -1.26 -4.92 113.70 106.91 1j5i s SER 14 Ca 0.53 -0.76 -0.25 0.00 0.70 0.00 0.00 55.95 56.17 1j5i s SER 14 Cb -0.10 -0.10 -0.20 0.00 -1.71 0.00 0.00 66.02 63.91 1j5i s SER 14 CO 0.42 -0.07 2.14 -0.67 1.20 0.00 0.00 173.24 176.26 1j5i n ASP 15 N 0.72 1.19 0.00 5.45 2.03 -1.23 -0.47 116.55 124.24 1j5i n ASP 15 Ca -0.17 -2.10 0.00 0.00 0.52 0.00 0.00 54.79 53.05 1j5i n ASP 15 Cb 0.56 -1.62 0.00 0.00 -0.72 0.00 0.00 41.12 39.34 1j5i n ASP 15 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1j5i n GLY 16 N 6.22 1.08 3.50 0.27 0.00 0.26 -4.74 105.19 111.77 1j5i n GLY 16 Ca 0.41 0.00 -0.43 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 -1.33 4.32 -0.11 2.61 2.01 0.38 -4.68 115.64 118.84 1j5i s THR 17 Ca 0.00 0.04 -0.30 0.00 0.31 0.00 0.00 61.69 61.75 1j5i s THR 17 Cb 0.00 -4.62 -0.02 0.00 0.01 0.00 0.00 72.50 67.88 1j5i s THR 17 CO 0.00 -1.29 1.12 -0.69 -0.69 0.00 0.00 174.62 173.07 1j5i s VAL 18 N 4.11 4.49 0.29 3.82 1.01 -1.26 0.26 120.40 133.11 1j5i s VAL 18 Ca 0.27 1.79 -0.02 0.00 0.00 0.00 0.00 61.98 64.02 1j5i s VAL 18 Cb -0.14 -4.15 0.01 0.00 0.00 0.00 0.00 36.38 32.10 1j5i s VAL 18 CO 0.15 -0.05 0.41 1.33 0.00 0.00 0.00 175.10 176.95 1j5i n VAL 19 N 4.81 0.00 -4.06 2.92 0.24 -0.07 -4.97 118.33 117.20 1j5i n VAL 19 Ca 0.11 -1.40 -0.35 0.00 -2.04 0.00 0.00 64.34 60.66 1j5i n VAL 19 Cb 0.47 0.88 -0.09 0.00 -1.47 0.00 0.00 33.84 33.63 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 -2.61 3.62 -0.37 7.34 2.20 -1.26 -1.13 119.74 127.53 1j5i s LYS 20 Ca 0.23 -0.30 -0.01 0.00 -0.36 0.00 0.00 55.97 55.52 1j5i s LYS 20 Cb -0.01 -3.11 0.09 0.00 -1.51 0.00 0.00 37.83 33.29 1j5i s LYS 20 CO 0.16 0.50 0.12 0.08 -0.36 0.00 0.00 175.35 175.85 1j5i s VAL 21 N -0.27 3.04 -0.00 4.02 1.01 0.16 0.31 120.40 128.67 1j5i s VAL 21 Ca 0.08 -1.90 -0.22 0.00 0.00 0.00 0.00 61.98 59.95 1j5i s VAL 21 Cb -0.12 -3.01 -0.05 0.00 0.00 0.00 0.00 36.38 33.20 1j5i s VAL 21 CO 0.01 -0.50 0.63 0.00 0.00 0.00 0.00 175.10 175.25 1j5i s ALA 22 N 1.14 3.45 -0.62 5.51 0.00 -0.57 -0.62 121.76 130.05 1j5i s ALA 22 Ca 0.05 0.08 0.06 0.00 0.00 0.00 0.00 51.96 52.14 1j5i s ALA 22 Cb -0.21 -2.81 0.28 0.00 0.00 0.00 0.00 23.12 20.38 1j5i s ALA 22 CO -0.04 0.12 0.82 0.41 0.00 0.00 0.00 175.76 177.07 1j5i n GLY 23 N 2.52 5.10 3.65 0.00 0.00 0.26 -0.71 105.19 116.02 1j5i n GLY 23 Ca -0.05 -2.78 -0.43 0.00 0.00 0.00 0.00 46.02 42.76 1j5i n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j5i s ALA 24 N -2.84 3.55 -0.48 4.61 0.00 -1.10 -1.29 121.76 124.22 1j5i s ALA 24 Ca 0.43 0.37 -0.03 0.00 0.00 0.00 0.00 51.96 52.73 1j5i s ALA 24 Cb 0.20 -3.68 0.00 0.00 0.00 0.00 0.00 23.12 19.64 1j5i s ALA 24 CO -0.06 -1.40 0.41 0.41 0.00 0.00 0.00 175.76 175.12 1j5i n GLY 25 N 3.90 0.37 0.00 0.00 0.00 0.53 -1.77 105.19 108.22 1j5i n GLY 25 Ca 0.15 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.12 0.00 0.12 0.99 -0.00 -0.71 -4.71 117.00 110.57 1j5i n LEU 26 Ca -0.02 0.00 0.08 0.00 -0.00 0.00 0.00 56.01 56.08 1j5i n LEU 26 Cb 0.53 0.00 0.43 0.00 -0.00 0.00 0.00 43.42 44.38 1j5i n LEU 26 CO 0.23 0.00 0.75 0.00 -0.00 0.00 0.00 177.39 178.37 1j5i n GLN 27 N 0.00 0.11 -0.96 1.96 1.13 -1.26 -4.77 117.38 113.59 1j5i n GLN 27 Ca 0.00 0.57 0.00 0.00 -1.94 0.00 0.00 57.00 55.63 1j5i n GLN 27 Cb 0.00 -1.83 0.00 0.00 0.11 0.00 0.00 30.24 28.52 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 -1.70 0.00 0.00 -1.58 0.00 -1.26 -1.39 120.51 114.58 1j5i n ALA 28 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1j5i n ALA 28 Cb 0.05 -0.81 0.00 0.00 0.00 0.00 0.00 19.45 18.69 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 -0.92 0.97 0.00 0.00 0.00 -1.22 -3.70 105.19 100.32 1j5i n GLY 29 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.14 0.00 -3.63 2.61 -1.04 -0.49 -4.60 114.28 106.99 1j5i n THR 30 Ca 0.00 0.00 -0.22 0.00 -2.04 0.00 0.00 64.05 61.79 1j5i n THR 30 Cb 0.00 -1.49 -0.17 0.00 -1.82 0.00 0.00 70.33 66.86 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 -3.96 0.22 0.26 2.41 0.00 -1.26 -1.94 121.76 117.48 1j5i s ALA 31 Ca 0.00 0.03 0.01 0.00 0.00 0.00 0.00 51.96 52.00 1j5i s ALA 31 Cb 0.00 -0.88 -0.00 0.00 0.00 0.00 0.00 23.12 22.23 1j5i s ALA 31 CO 0.00 -0.85 0.02 0.66 0.00 0.00 0.00 175.76 175.59 1j5i n TYR 32 N 5.30 0.46 -3.86 0.00 4.02 0.47 -4.69 117.16 118.85 1j5i n TYR 32 Ca -0.05 -1.36 -0.35 0.00 -0.01 0.00 0.00 57.90 56.13 1j5i n TYR 32 Cb 0.50 -0.13 -0.10 0.00 -0.02 0.00 0.00 39.34 39.59 1j5i n TYR 32 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1j5i s ASP 33 N -2.45 5.74 -0.08 7.72 1.11 0.81 -0.05 116.67 129.47 1j5i s ASP 33 Ca 0.03 0.07 -0.19 0.00 0.18 0.00 0.00 52.55 52.64 1j5i s ASP 33 Cb 0.00 -2.01 -0.04 0.00 1.07 0.00 0.00 42.92 41.94 1j5i s ASP 33 CO 0.02 0.12 0.53 -0.69 1.18 0.00 0.00 175.17 176.33 1j5i s VAL 34 N 0.70 5.10 -0.29 -1.27 1.01 -0.39 0.97 120.40 126.22 1j5i s VAL 34 Ca 0.05 1.08 -0.29 0.00 0.00 0.00 0.00 61.98 62.82 1j5i s VAL 34 Cb -0.13 -3.87 0.20 0.00 0.00 0.00 0.00 36.38 32.58 1j5i s VAL 34 CO 0.02 0.35 1.38 -0.83 0.00 0.00 0.00 175.10 176.02 1j5i s GLY 35 N 0.36 0.11 -0.44 4.51 0.00 0.52 -0.26 107.32 112.13 1j5i s GLY 35 Ca 0.29 2.88 -0.19 0.00 0.00 0.00 0.00 44.72 47.69 1j5i s GLY 35 CO 0.13 1.12 0.58 -0.86 0.00 0.00 0.00 173.10 174.06 1j5i s GLN 36 N -1.00 3.20 0.12 2.90 -2.07 -1.26 -2.27 119.66 119.28 1j5i s GLN 36 Ca 0.09 -0.55 0.05 0.00 -1.82 0.00 0.00 55.36 53.13 1j5i s GLN 36 Cb -0.01 -3.97 -0.04 0.00 -1.09 0.00 0.00 33.01 27.90 1j5i s GLN 36 CO -0.08 -0.98 0.04 0.00 -1.32 0.00 0.00 175.29 172.94 1j5i s ALA 38 N -1.48 -1.94 -0.40 0.00 0.00 -0.60 -1.50 121.76 115.85 1j5i s ALA 38 Ca 0.28 1.03 -0.29 0.00 0.00 0.00 0.00 51.96 52.98 1j5i s ALA 38 Cb -0.11 0.26 0.01 0.00 0.00 0.00 0.00 23.12 23.28 1j5i s ALA 38 CO 0.20 -0.76 1.44 1.67 0.00 0.00 0.00 175.76 178.31 1j5i s TRP 39 N -2.81 2.36 -0.26 0.00 -2.14 -1.26 0.54 118.94 115.37 1j5i s TRP 39 Ca 0.09 0.68 -0.13 0.00 2.66 0.00 0.00 56.10 59.40 1j5i s TRP 39 Cb -0.00 -4.27 -0.14 0.00 -3.10 0.00 0.00 33.47 25.96 1j5i s TRP 39 CO -0.05 -2.07 -0.23 1.55 -2.66 0.00 0.00 176.95 173.49 1j5i n VAL 40 N 7.05 1.53 0.00 -0.66 3.14 -0.38 -4.65 118.33 124.36 1j5i n VAL 40 Ca 0.17 -0.37 0.00 0.00 -2.96 0.00 0.00 64.34 61.18 1j5i n VAL 40 Cb 0.48 -1.83 0.00 0.00 -1.06 0.00 0.00 33.84 31.42 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 -4.11 0.00 -2.61 6.55 4.64 -1.19 -4.77 116.55 115.06 1j5i n ASP 41 Ca -0.49 0.00 -0.23 0.00 -1.38 0.00 0.00 54.79 52.69 1j5i n ASP 41 Cb 0.88 0.00 -0.10 0.00 -1.04 0.00 0.00 41.12 40.86 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 -0.13 3.34 0.00 5.18 5.66 -1.26 -4.01 114.28 123.06 1j5i n THR 42 Ca 0.00 -1.85 0.00 0.00 -3.05 0.00 0.00 64.05 59.15 1j5i n THR 42 Cb 0.00 -2.23 0.00 0.00 -1.55 0.00 0.00 70.33 66.55 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 3.03 0.65 3.64 1.09 0.00 -1.26 -5.05 105.19 107.29 1j5i n GLY 43 Ca 0.55 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.15 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 -2.00 4.71 -0.59 1.61 1.01 -1.26 -4.87 120.40 119.01 1j5i s VAL 44 Ca 0.00 1.72 -0.26 0.00 0.00 0.00 0.00 61.98 63.43 1j5i s VAL 44 Cb 0.00 -4.25 -0.03 0.00 0.00 0.00 0.00 36.38 32.10 1j5i s VAL 44 CO 0.00 -0.22 1.92 -0.76 0.00 0.00 0.00 175.10 176.04 1j5i s LEU 45 N 3.15 3.31 0.01 3.92 1.43 -1.26 -1.25 118.68 127.99 1j5i s LEU 45 Ca 0.40 0.44 0.03 0.00 -1.03 0.00 0.00 54.13 53.96 1j5i s LEU 45 Cb -0.14 -2.54 -0.04 0.00 0.03 0.00 0.00 46.19 43.50 1j5i s LEU 45 CO 0.09 -2.43 -0.03 0.00 0.23 0.00 0.00 176.35 174.21 1j5i s ALA 46 N 9.42 3.14 0.14 4.21 0.00 0.19 -3.20 121.76 135.67 1j5i s ALA 46 Ca 0.71 -1.00 0.06 0.00 0.00 0.00 0.00 51.96 51.73 1j5i s ALA 46 Cb -0.13 -1.22 -0.04 0.00 0.00 0.00 0.00 23.12 21.73 1j5i s ALA 46 CO 0.21 0.63 0.03 0.00 0.00 0.00 0.00 175.76 176.64 1j5i s ASN 48 N -2.77 3.70 0.31 0.00 0.02 -1.24 -0.61 114.94 114.35 1j5i s ASN 48 Ca 0.28 -0.17 0.26 0.00 -1.02 0.00 0.00 52.86 52.21 1j5i s ASN 48 Cb -0.10 -0.01 0.89 0.00 0.02 0.00 0.00 41.25 42.05 1j5i s ASN 48 CO 0.20 -2.32 1.76 1.55 0.02 0.00 0.00 177.10 178.31 1j5i h PRO 49 N -1.06 0.00 -0.63 -0.60 0.13 -1.95 -2.47 132.00 125.43 1j5i h PRO 49 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 1j5i h PRO 49 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1j5i h PRO 49 CO 0.37 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.14 1j5i n ALA 50 N -1.88 2.72 1.53 -0.56 0.00 -1.26 -3.89 120.51 117.17 1j5i n ALA 50 Ca 0.03 -1.21 0.14 0.00 0.00 0.00 0.00 53.44 52.41 1j5i n ALA 50 Cb 0.36 -0.99 0.57 0.00 0.00 0.00 0.00 19.45 19.38 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 1.10 1.19 -4.18 0.00 2.03 -0.93 -4.39 116.55 111.37 1j5i n ASP 51 Ca 0.21 -1.31 -0.40 0.00 0.52 0.00 0.00 54.79 53.81 1j5i n ASP 51 Cb 0.65 0.01 -0.07 0.00 -0.72 0.00 0.00 41.12 40.99 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 -2.09 3.53 -0.44 -0.67 0.08 -1.23 -3.08 117.98 114.09 1j5i s PHE 52 Ca 0.37 -2.41 0.05 0.00 0.12 0.00 0.00 56.93 55.06 1j5i s PHE 52 Cb 0.21 -3.43 0.17 0.00 -0.57 0.00 0.00 43.02 39.40 1j5i s PHE 52 CO 0.37 -0.90 0.48 -1.12 -0.10 0.00 0.00 175.22 173.94 1j5i s SER 53 N 1.33 0.41 -0.01 1.36 0.01 0.65 -4.97 113.70 112.47 1j5i s SER 53 Ca 0.16 -2.40 -0.34 0.00 1.31 0.00 0.00 55.95 54.68 1j5i s SER 53 Cb -0.17 0.50 -0.17 0.00 0.21 0.00 0.00 66.02 66.39 1j5i s SER 53 CO -0.05 -0.14 0.93 -1.54 0.41 0.00 0.00 173.24 172.84 1j5i n SER 54 N 3.09 0.01 -3.92 2.44 3.41 -1.26 -1.26 113.62 116.13 1j5i n SER 54 Ca 0.23 0.99 -0.10 0.00 -0.26 0.00 0.00 58.87 59.74 1j5i n SER 54 Cb 0.50 -0.79 -0.10 0.00 -0.26 0.00 0.00 64.21 63.57 1j5i n SER 54 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1j5i s VAL 55 N 0.06 0.11 0.04 -3.33 1.01 0.93 -4.71 120.40 114.50 1j5i s VAL 55 Ca 0.78 -0.91 0.04 0.00 0.00 0.00 0.00 61.98 61.89 1j5i s VAL 55 Cb -1.09 -0.58 -0.02 0.00 0.00 0.00 0.00 36.38 34.68 1j5i s VAL 55 CO 0.49 -0.50 -0.11 -0.89 0.00 0.00 0.00 175.10 174.09 1j5i s THR 56 N -1.89 0.88 -0.13 3.92 2.01 -1.26 -0.40 115.64 118.78 1j5i s THR 56 Ca -0.11 -0.94 -0.09 0.00 0.31 0.00 0.00 61.69 60.86 1j5i s THR 56 Cb -0.06 -0.83 -0.04 0.00 0.01 0.00 0.00 72.50 71.58 1j5i s THR 56 CO -0.01 -0.09 0.17 0.00 -0.69 0.00 0.00 174.62 173.99 1j5i s ALA 57 N -0.92 3.81 0.91 7.40 0.00 -0.82 -4.34 121.76 127.80 1j5i s ALA 57 Ca -0.01 -0.60 -0.11 0.00 0.00 0.00 0.00 51.96 51.24 1j5i s ALA 57 Cb -0.08 -2.07 0.12 0.00 0.00 0.00 0.00 23.12 21.09 1j5i s ALA 57 CO 0.01 0.49 1.03 -0.25 0.00 0.00 0.00 175.76 177.04 1j5i n ASP 58 N 2.34 0.04 -0.56 0.00 10.43 0.16 -3.76 116.55 125.20 1j5i n ASP 58 Ca -0.18 0.43 0.44 0.00 2.57 0.00 0.00 54.79 58.05 1j5i n ASP 58 Cb 0.54 -1.44 0.69 0.00 1.84 0.00 0.00 41.12 42.75 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 -4.01 1.53 -0.42 2.24 0.00 -1.26 0.42 120.51 119.01 1j5i n ALA 59 Ca 0.11 0.66 -0.13 0.00 0.00 0.00 0.00 53.44 54.09 1j5i n ALA 59 Cb 0.52 -1.00 0.05 0.00 0.00 0.00 0.00 19.45 19.03 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 -4.01 4.90 -4.42 0.00 5.15 -1.26 -4.37 115.26 111.25 1j5i n ASN 60 Ca 0.39 -2.85 -0.38 0.00 -0.60 0.00 0.00 54.58 51.13 1j5i n ASN 60 Cb 1.66 -0.86 -0.09 0.00 -0.53 0.00 0.00 39.78 39.97 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 0.14 -0.30 3.10 8.20 0.00 1.41 -4.05 105.19 113.70 1j5i n GLY 61 Ca 0.26 0.11 -0.34 0.00 0.00 0.00 0.00 46.02 46.05 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 -3.61 4.93 -0.63 1.61 0.01 -1.01 0.20 113.70 115.20 1j5i s SER 62 Ca 0.54 -1.79 -0.12 0.00 1.31 0.00 0.00 55.95 55.89 1j5i s SER 62 Cb -0.32 -1.71 0.16 0.00 0.21 0.00 0.00 66.02 64.37 1j5i s SER 62 CO 1.00 -0.38 0.54 0.00 0.41 0.00 0.00 173.24 174.82 1j5i s ALA 63 N 1.10 3.72 -1.07 1.44 0.00 -0.41 0.36 121.76 126.91 1j5i s ALA 63 Ca 0.03 -2.88 -0.11 0.00 0.00 0.00 0.00 51.96 49.00 1j5i s ALA 63 Cb -0.21 -3.17 0.25 0.00 0.00 0.00 0.00 23.12 19.99 1j5i s ALA 63 CO -0.05 -2.09 1.08 -1.54 0.00 0.00 0.00 175.76 173.17 1j5i s SER 64 N 2.56 7.18 -0.10 0.00 1.04 -1.25 0.92 113.70 124.05 1j5i s SER 64 Ca 0.10 -3.34 -0.01 0.00 0.48 0.00 0.00 55.95 53.18 1j5i s SER 64 Cb -0.21 -2.23 -0.03 0.00 0.10 0.00 0.00 66.02 63.64 1j5i s SER 64 CO -0.03 -0.40 -0.04 -0.89 0.98 0.00 0.00 173.24 172.86 1j5i s THR 65 N -0.64 3.89 -0.17 2.02 2.01 0.21 -4.85 115.64 118.11 1j5i s THR 65 Ca 0.30 -0.39 -0.20 0.00 0.31 0.00 0.00 61.69 61.71 1j5i s THR 65 Cb -0.09 -2.64 -0.03 0.00 0.01 0.00 0.00 72.50 69.74 1j5i s THR 65 CO -0.07 0.56 0.56 -0.94 -0.69 0.00 0.00 174.62 174.04 1j5i s SER 66 N -0.38 6.66 0.13 3.53 1.04 -1.26 0.40 113.70 123.83 1j5i s SER 66 Ca 0.06 0.80 0.00 0.00 0.48 0.00 0.00 55.95 57.29 1j5i s SER 66 Cb -0.12 -2.32 -0.04 0.00 0.10 0.00 0.00 66.02 63.63 1j5i s SER 66 CO 0.02 -0.17 0.01 -0.76 0.98 0.00 0.00 173.24 173.32 1j5i s LEU 67 N 1.47 2.09 -0.11 2.42 2.01 -0.28 -4.94 118.68 121.34 1j5i s LEU 67 Ca 0.27 -1.14 -0.03 0.00 0.01 0.00 0.00 54.13 53.23 1j5i s LEU 67 Cb -0.16 0.10 -0.03 0.00 0.01 0.00 0.00 46.19 46.11 1j5i s LEU 67 CO 0.11 -0.62 0.02 0.28 1.01 0.00 0.00 176.35 177.15 1j5i s THR 68 N -3.83 4.44 -1.01 5.49 -1.32 -1.26 -0.90 115.64 117.25 1j5i s THR 68 Ca 0.20 -0.19 -0.17 0.00 -1.21 0.00 0.00 61.69 60.32 1j5i s THR 68 Cb 0.07 -2.90 0.14 0.00 -1.51 0.00 0.00 72.50 68.30 1j5i s THR 68 CO 0.00 0.57 1.23 -0.69 -2.21 0.00 0.00 174.62 173.52 1j5i s VAL 69 N -0.56 4.80 -1.17 5.08 1.01 0.14 -4.73 120.40 124.96 1j5i s VAL 69 Ca 0.10 -1.88 -0.07 0.00 0.00 0.00 0.00 61.98 60.13 1j5i s VAL 69 Cb -0.12 -4.83 0.24 0.00 0.00 0.00 0.00 36.38 31.68 1j5i s VAL 69 CO 0.02 -1.55 1.63 0.54 0.00 0.00 0.00 175.10 175.74 1j5i n ARG 70 N 6.33 4.05 -0.52 2.72 1.74 -1.26 0.89 116.66 130.61 1j5i n ARG 70 Ca 0.28 -4.10 0.41 0.00 -0.77 0.00 0.00 57.85 53.67 1j5i n ARG 70 Cb 0.47 -2.70 0.65 0.00 -1.02 0.00 0.00 32.46 29.85 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 2.59 -0.01 -3.21 5.56 0.63 -1.26 -4.04 116.66 116.91 1j5i n ARG 71 Ca 0.32 0.97 -0.39 0.00 -0.92 0.00 0.00 57.85 57.83 1j5i n ARG 71 Cb 0.35 -2.10 -0.06 0.00 0.45 0.00 0.00 32.46 31.10 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 -4.06 7.03 0.00 6.15 1.04 -1.26 0.13 113.70 122.74 1j5i s SER 72 Ca -0.05 1.22 0.00 0.00 0.48 0.00 0.00 55.95 57.60 1j5i s SER 72 Cb 0.24 -2.37 0.00 0.00 0.10 0.00 0.00 66.02 63.99 1j5i s SER 72 CO 0.73 0.16 0.00 2.22 0.98 0.00 0.00 173.24 177.33 1j5i n PHE 73 N 2.36 0.00 -3.36 5.02 1.16 0.42 -4.92 117.46 118.15 1j5i n PHE 73 Ca -0.08 0.00 -0.43 0.00 -1.87 0.00 0.00 57.45 55.07 1j5i n PHE 73 Cb 0.51 0.00 -0.09 0.00 -1.61 0.00 0.00 39.48 38.29 1j5i n PHE 73 CO 0.00 0.00 0.00 -2.00 -1.87 0.00 0.00 176.76 172.89 1j5i s GLU 74 N -1.86 3.06 0.40 3.97 2.12 -1.24 -0.17 118.70 124.98 1j5i s GLU 74 Ca 0.00 -0.83 -0.24 0.00 0.36 0.00 0.00 54.97 54.26 1j5i s GLU 74 Cb 0.00 -3.97 -0.09 0.00 0.26 0.00 0.00 34.13 30.33 1j5i s GLU 74 CO 0.00 -0.82 1.06 0.20 -0.54 0.00 0.00 175.26 175.16 1j5i s GLY 75 N 1.77 2.75 -0.07 -1.50 0.00 0.15 -3.67 107.32 106.75 1j5i s GLY 75 Ca 0.10 0.73 -0.00 0.00 0.00 0.00 0.00 44.72 45.55 1j5i s GLY 75 CO 0.13 1.17 -0.04 -0.12 0.00 0.00 0.00 173.10 174.24 1j5i s PHE 76 N -1.63 0.91 0.69 1.90 5.36 0.22 0.09 117.98 125.52 1j5i s PHE 76 Ca 0.58 -0.32 -0.15 0.00 -0.96 0.00 0.00 56.93 56.08 1j5i s PHE 76 Cb -0.23 -0.86 0.02 0.00 -0.34 0.00 0.00 43.02 41.61 1j5i s PHE 76 CO 0.29 -0.32 1.15 -0.51 -1.46 0.00 0.00 175.22 174.37 1j5i s LEU 77 N 1.48 3.36 0.13 6.12 1.43 0.74 -0.64 118.68 131.29 1j5i s LEU 77 Ca -0.02 2.15 0.12 0.00 -1.03 0.00 0.00 54.13 55.36 1j5i s LEU 77 Cb -0.13 -4.57 -0.11 0.00 0.03 0.00 0.00 46.19 41.41 1j5i s LEU 77 CO -0.04 -1.91 1.15 2.19 0.23 0.00 0.00 176.35 177.97 1j5i h PHE 78 N -0.12 0.00 -0.60 0.29 -5.15 -1.78 -3.31 116.94 106.27 1j5i h PHE 78 Ca -0.47 0.00 0.05 0.00 -0.20 0.00 0.00 57.97 57.35 1j5i h PHE 78 Cb 1.27 0.00 -0.05 0.00 0.22 0.00 0.00 35.95 37.39 1j5i h PHE 78 CO 0.51 0.76 0.32 0.22 -2.00 0.00 0.00 178.31 178.12 1j5i h ASP 79 N 0.00 0.47 0.00 -0.68 1.82 -1.92 -3.45 116.42 112.65 1j5i h ASP 79 Ca -0.08 0.03 0.00 0.00 -0.39 0.00 0.00 57.03 56.59 1j5i h ASP 79 Cb 1.65 -0.06 0.00 0.00 0.68 0.00 0.00 39.33 41.60 1j5i h ASP 79 CO 0.09 0.31 0.00 0.61 -1.61 0.00 0.00 179.24 178.63 1j5i n GLY 80 N -1.27 0.41 3.88 -0.78 0.00 -1.25 -5.15 105.19 101.04 1j5i n GLY 80 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 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 4.74 -0.03 2.61 2.01 -1.26 -4.90 115.64 118.81 1j5i s THR 81 Ca 0.00 0.73 0.02 0.00 0.31 0.00 0.00 61.69 62.75 1j5i s THR 81 Cb 0.00 -3.83 -0.03 0.00 0.01 0.00 0.00 72.50 68.65 1j5i s THR 81 CO 0.00 -0.93 -0.07 -0.13 -0.69 0.00 0.00 174.62 172.79 1j5i s ARG 82 N -4.75 2.62 0.00 4.92 0.52 -1.26 -0.19 118.95 120.82 1j5i s ARG 82 Ca 0.53 -0.65 0.00 0.00 -0.52 0.00 0.00 55.73 55.09 1j5i s ARG 82 Cb -0.11 -2.53 0.00 0.00 0.52 0.00 0.00 34.95 32.84 1j5i s ARG 82 CO 0.46 0.63 0.00 1.87 0.02 0.00 0.00 175.30 178.28 1j5i n TRP 83 N 1.89 0.00 0.00 -0.53 -0.00 -0.12 -4.82 117.44 113.86 1j5i n TRP 83 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.33 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 2.85 2.23 5.00 5.87 0.00 0.11 -4.78 105.19 116.48 1j5i n GLY 84 Ca 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.35 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 0.33 114.28 114.91 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 -3.68 12.58 0.31 0.76 -4.89 118.33 123.40 1j5i n VAL 86 Ca 0.00 0.00 -0.23 0.00 -0.01 0.00 0.00 64.34 64.10 1j5i n VAL 86 Cb 0.00 0.00 -0.17 0.00 -0.91 0.00 0.00 33.84 32.76 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 0.31 1.79 -0.96 4.52 -1.08 -1.26 -0.43 116.67 119.56 1j5i s ASP 87 Ca 0.00 -0.26 -0.05 0.00 -0.52 0.00 0.00 52.55 51.71 1j5i s ASP 87 Cb 0.00 -0.29 0.06 0.00 -1.46 0.00 0.00 42.92 41.23 1j5i s ASP 87 CO 0.00 -0.27 2.64 0.00 0.52 0.00 0.00 175.17 178.06 1j5i n THR 89 N 1.61 0.15 -0.08 0.00 5.66 -1.26 -4.45 114.28 115.91 1j5i n THR 89 Ca 0.58 -0.31 -0.10 0.00 -3.05 0.00 0.00 64.05 61.17 1j5i n THR 89 Cb 0.39 0.20 -0.05 0.00 -1.55 0.00 0.00 70.33 69.32 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 0.32 -3.19 1.09 2.02 -1.99 -3.48 112.91 107.68 1j5i h THR 90 Ca 0.00 -1.38 -0.50 0.00 0.77 0.00 0.00 66.41 65.30 1j5i h THR 90 Cb 0.80 0.74 0.00 0.00 -1.74 0.00 0.00 68.15 67.96 1j5i h THR 90 CO 0.00 0.11 -0.10 0.00 0.37 0.00 0.00 175.52 175.90 1j5i s ALA 91 N -2.60 3.59 -0.21 6.16 0.00 -1.26 -5.05 121.76 122.39 1j5i s ALA 91 Ca -0.18 -0.61 -0.21 0.00 0.00 0.00 0.00 51.96 50.96 1j5i s ALA 91 Cb 0.03 -2.32 -0.02 0.00 0.00 0.00 0.00 23.12 20.81 1j5i s ALA 91 CO 0.32 0.07 0.65 0.00 0.00 0.00 0.00 175.76 176.81 1j5i s ALA 92 N -2.26 3.57 -0.23 0.00 0.00 -1.26 -4.84 121.76 116.74 1j5i s ALA 92 Ca 0.44 -0.29 -0.23 0.00 0.00 0.00 0.00 51.96 51.88 1j5i s ALA 92 Cb -0.10 -3.02 -0.01 0.00 0.00 0.00 0.00 23.12 19.99 1j5i s ALA 92 CO 0.34 -0.64 0.74 0.00 0.00 0.00 0.00 175.76 176.19 1j5i s GLN 94 N 2.55 3.58 -0.19 0.00 -0.21 -0.56 -0.93 119.66 123.91 1j5i s GLN 94 Ca 0.32 -0.54 -0.21 0.00 0.02 0.00 0.00 55.36 54.94 1j5i s GLN 94 Cb -0.16 -3.78 -0.02 0.00 1.00 0.00 0.00 33.01 30.05 1j5i s GLN 94 CO 0.09 -0.42 0.64 0.08 -2.12 0.00 0.00 175.29 173.56 1j5i s VAL 95 N 1.79 5.02 0.06 1.09 1.01 -0.16 -0.13 120.40 129.08 1j5i s VAL 95 Ca 0.07 1.21 -0.27 0.00 0.00 0.00 0.00 61.98 62.99 1j5i s VAL 95 Cb -0.17 -3.96 0.10 0.00 0.00 0.00 0.00 36.38 32.35 1j5i s VAL 95 CO 0.11 0.11 1.17 -0.83 0.00 0.00 0.00 175.10 175.66 1j5i s GLY 96 N 1.18 -0.22 -0.20 4.51 0.00 -0.96 -1.52 107.32 110.11 1j5i s GLY 96 Ca 0.29 0.25 -0.06 0.00 0.00 0.00 0.00 44.72 45.20 1j5i s GLY 96 CO 0.11 1.55 0.04 0.48 0.00 0.00 0.00 173.10 175.27 1j5i s LEU 97 N -3.21 3.53 0.43 0.66 2.34 -1.21 -0.35 118.68 120.87 1j5i s LEU 97 Ca 0.18 -0.07 0.08 0.00 0.06 0.00 0.00 54.13 54.37 1j5i s LEU 97 Cb 0.01 -1.90 -0.01 0.00 -0.56 0.00 0.00 46.19 43.74 1j5i s LEU 97 CO -0.00 0.10 0.44 -0.44 -1.06 0.00 0.00 176.35 175.39 1j5i s SER 98 N 0.77 5.19 0.89 1.48 0.01 0.27 -4.69 113.70 117.62 1j5i s SER 98 Ca 0.02 -0.69 -0.11 0.00 1.31 0.00 0.00 55.95 56.49 1j5i s SER 98 Cb -0.14 -0.52 0.13 0.00 0.21 0.00 0.00 66.02 65.70 1j5i s SER 98 CO 0.02 -0.72 1.11 -1.81 0.41 0.00 0.00 173.24 172.25 1j5i s ASP 99 N -4.21 3.33 0.64 2.44 1.01 -0.89 -0.14 116.67 118.85 1j5i s ASP 99 Ca 0.50 1.95 0.29 0.00 0.71 0.00 0.00 52.55 56.00 1j5i s ASP 99 Cb -0.05 -2.49 1.57 0.00 1.01 0.00 0.00 42.92 42.96 1j5i s ASP 99 CO 0.29 -2.81 1.92 0.00 0.21 0.00 0.00 175.17 174.79 1j5i h ALA 100 N -1.66 1.65 0.00 5.23 0.00 -1.91 1.43 119.26 123.99 1j5i h ALA 100 Ca -0.45 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.27 1j5i h ALA 100 Cb 1.26 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.04 1j5i h ALA 100 CO 0.47 -0.46 -1.13 0.00 0.00 0.00 0.00 179.25 178.13 1j5i h ALA 101 N 1.40 0.62 0.00 0.00 0.00 -1.99 -3.48 119.26 115.80 1j5i h ALA 101 Ca 0.08 -0.87 0.00 0.00 0.00 0.00 0.00 54.91 54.12 1j5i h ALA 101 Cb 0.83 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1j5i h ALA 101 CO -0.00 1.03 0.00 0.41 0.00 0.00 0.00 179.25 180.69 1j5i n GLY 102 N 1.37 1.01 3.94 0.00 0.00 0.49 -5.09 105.19 106.90 1j5i n GLY 102 Ca -0.06 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.00 6.34 0.00 1.61 0.01 -1.26 -4.74 114.94 114.91 1j5i s ASN 103 Ca 0.00 0.42 0.00 0.00 -0.71 0.00 0.00 52.86 52.57 1j5i s ASN 103 Cb 0.00 -2.02 0.00 0.00 0.41 0.00 0.00 41.25 39.64 1j5i s ASN 103 CO 0.00 -0.18 0.00 0.61 -1.51 0.00 0.00 177.10 176.02 1j5i n GLY 104 N -1.29 0.94 2.23 0.66 0.00 -1.26 -2.09 105.19 104.38 1j5i n GLY 104 Ca -0.05 -1.09 -0.15 0.00 0.00 0.00 0.00 46.02 44.74 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 2.93 1.86 -2.97 1.61 -0.04 -1.26 -4.77 135.00 132.35 1j5i n PRO 105 Ca 0.00 -1.04 -0.44 0.00 -0.04 0.00 0.00 63.50 61.99 1j5i n PRO 105 Cb 0.00 -2.08 -0.05 0.00 -0.04 0.00 0.00 33.50 31.34 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 1.90 3.14 0.00 0.54 0.41 -1.26 -4.94 118.70 118.48 1j5i s GLU 106 Ca 0.51 -0.86 0.00 0.00 -0.41 0.00 0.00 54.97 54.21 1j5i s GLU 106 Cb 0.21 -4.18 0.00 0.00 -1.78 0.00 0.00 34.13 28.38 1j5i s GLU 106 CO -0.01 -1.58 0.00 0.41 -0.49 0.00 0.00 175.26 173.59 1j5i n GLY 107 N 5.25 1.79 3.57 -1.39 0.00 -1.26 -3.32 105.19 109.84 1j5i n GLY 107 Ca -0.05 -0.14 -0.34 0.00 0.00 0.00 0.00 46.02 45.50 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 -1.41 4.39 -0.78 1.61 0.11 -0.58 -4.70 120.40 119.05 1j5i s VAL 108 Ca 0.00 -0.18 -0.26 0.00 -2.93 0.00 0.00 61.98 58.61 1j5i s VAL 108 Cb 0.00 -2.96 -0.10 0.00 -1.53 0.00 0.00 36.38 31.79 1j5i s VAL 108 CO 0.00 0.48 2.28 0.00 -3.33 0.00 0.00 175.10 174.52 1j5i s ALA 109 N 0.37 1.08 -0.10 1.54 0.00 -1.26 -0.99 121.76 122.40 1j5i s ALA 109 Ca -0.00 -0.87 -0.03 0.00 0.00 0.00 0.00 51.96 51.06 1j5i s ALA 109 Cb -0.13 -4.54 -0.03 0.00 0.00 0.00 0.00 23.12 18.42 1j5i s ALA 109 CO 0.01 -5.43 0.01 -1.50 0.00 0.00 0.00 175.76 168.86 1j5i s ILE 110 N 13.19 4.38 0.00 0.00 1.10 -0.11 -4.71 121.20 135.06 1j5i s ILE 110 Ca 0.87 -0.21 0.00 0.00 -0.51 0.00 0.00 60.65 60.79 1j5i s ILE 110 Cb -0.12 -2.86 0.00 0.00 0.15 0.00 0.00 42.46 39.63 1j5i s ILE 110 CO 0.08 0.58 0.00 -1.54 -2.11 0.00 0.00 174.94 171.96 1j5i n SER 111 N 2.39 0.00 -3.64 4.50 3.41 -0.74 -4.39 113.62 115.15 1j5i n SER 111 Ca -0.18 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.42 1j5i n SER 111 Cb 0.53 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.48 1j5i n SER 111 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1j5i s PHE 112 N 0.00 -0.09 -1.61 7.33 0.08 -1.23 -1.34 117.98 121.11 1j5i s PHE 112 Ca 0.00 -0.06 0.00 0.00 0.12 0.00 0.00 56.93 56.99 1j5i s PHE 112 Cb 0.00 0.56 0.00 0.00 -0.57 0.00 0.00 43.02 43.01 1j5i s PHE 112 CO 0.00 -0.41 0.40 -1.71 -0.10 0.00 0.00 175.22 173.40