#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 1.76 -2.06 0.00 0.00 -1.26 -5.05 120.51 113.90 1j5i n ALA 2 Ca 0.00 -1.83 -0.38 0.00 0.00 0.00 0.00 53.44 51.23 1j5i n ALA 2 Cb 0.00 -0.99 -0.03 0.00 0.00 0.00 0.00 19.45 18.43 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 -0.40 2.35 0.00 0.00 -0.04 -1.26 -4.55 135.00 131.10 1j5i n PRO 3 Ca 0.01 -2.69 0.00 0.00 -0.04 0.00 0.00 63.50 60.78 1j5i n PRO 3 Cb 0.83 -3.46 0.00 0.00 -0.04 0.00 0.00 33.50 30.83 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 6.63 0.00 -2.98 0.52 -2.24 -1.00 -4.05 114.28 111.16 1j5i n THR 4 Ca 0.48 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.86 1j5i n THR 4 Cb 0.44 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.63 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 -1.01 3.39 -0.09 6.98 0.00 -1.23 0.60 121.76 130.40 1j5i s ALA 5 Ca 0.00 0.11 -0.13 0.00 0.00 0.00 0.00 51.96 51.94 1j5i s ALA 5 Cb 0.00 -3.07 0.03 0.00 0.00 0.00 0.00 23.12 20.08 1j5i s ALA 5 CO 0.00 -0.30 0.34 0.95 0.00 0.00 0.00 175.76 176.75 1j5i s THR 6 N 1.29 0.02 0.08 0.00 -4.23 -0.37 -4.18 115.64 108.24 1j5i s THR 6 Ca 0.38 -0.16 -0.30 0.00 -1.18 0.00 0.00 61.69 60.43 1j5i s THR 6 Cb -0.18 -0.54 -0.06 0.00 1.34 0.00 0.00 72.50 73.07 1j5i s THR 6 CO 0.17 -0.09 1.18 -0.69 -0.54 0.00 0.00 174.62 174.65 1j5i s VAL 7 N -0.33 4.03 0.17 2.29 1.01 -1.26 -1.19 120.40 125.12 1j5i s VAL 7 Ca -0.05 1.49 -0.17 0.00 0.00 0.00 0.00 61.98 63.25 1j5i s VAL 7 Cb -0.03 -3.96 0.12 0.00 0.00 0.00 0.00 36.38 32.51 1j5i s VAL 7 CO 0.02 0.14 1.25 0.41 0.00 0.00 0.00 175.10 176.91 1j5i n THR 8 N 3.71 -0.46 -0.12 3.92 -1.04 -0.56 -4.41 114.28 115.32 1j5i n THR 8 Ca 0.08 1.91 0.00 0.00 -2.04 0.00 0.00 64.05 64.00 1j5i n THR 8 Cb 0.46 -2.47 0.00 0.00 -1.82 0.00 0.00 70.33 66.51 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 -5.13 0.77 0.04 -2.82 -0.04 -1.26 -5.07 135.00 121.49 1j5i n PRO 9 Ca 0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 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 0.43 -0.04 0.00 0.00 175.50 175.89 1j5i n SER 10 N -0.47 -0.01 -4.56 3.54 7.64 -1.26 -4.98 113.62 113.52 1j5i n SER 10 Ca 0.00 0.14 -0.38 0.00 1.01 0.00 0.00 58.87 59.64 1j5i n SER 10 Cb 0.00 0.10 -0.03 0.00 -1.01 0.00 0.00 64.21 63.26 1j5i n SER 10 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1j5i s SER 11 N -5.04 6.17 0.00 6.43 1.04 -1.26 -1.78 113.70 119.27 1j5i s SER 11 Ca 0.00 -1.23 0.09 0.00 0.48 0.00 0.00 55.95 55.29 1j5i s SER 11 Cb 0.00 -2.57 0.46 0.00 0.10 0.00 0.00 66.02 64.02 1j5i s SER 11 CO 0.00 -1.81 1.13 0.61 0.98 0.00 0.00 173.24 174.14 1j5i n GLY 12 N 6.83 -0.52 2.34 7.32 0.00 0.21 -3.88 105.19 117.49 1j5i n GLY 12 Ca 0.34 -0.04 -0.14 0.00 0.00 0.00 0.00 46.02 46.17 1j5i n GLY 12 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1j5i n LEU 13 N -1.23 4.19 -3.89 0.99 4.77 -0.22 -4.44 117.00 117.16 1j5i n LEU 13 Ca 0.05 -2.56 -0.26 0.00 -0.03 0.00 0.00 56.01 53.21 1j5i n LEU 13 Cb 0.06 -1.00 -0.17 0.00 -2.33 0.00 0.00 43.42 39.98 1j5i n LEU 13 CO 0.06 0.86 -0.43 -0.55 -1.33 0.00 0.00 177.39 176.00 1j5i s SER 14 N 2.72 2.02 -0.73 -1.43 0.15 -1.25 -5.04 113.70 110.14 1j5i s SER 14 Ca 0.43 -0.26 -0.12 0.00 0.70 0.00 0.00 55.95 56.69 1j5i s SER 14 Cb 0.16 -0.77 -0.22 0.00 -1.71 0.00 0.00 66.02 63.49 1j5i s SER 14 CO -0.02 -0.12 1.72 -0.67 1.20 0.00 0.00 173.24 175.35 1j5i n ASP 15 N 4.85 -0.62 -3.80 5.45 4.64 -1.26 -0.65 116.55 125.17 1j5i n ASP 15 Ca -0.13 -0.21 -0.25 0.00 -1.38 0.00 0.00 54.79 52.82 1j5i n ASP 15 Cb 0.50 -0.49 0.00 0.00 -1.04 0.00 0.00 41.12 40.09 1j5i n ASP 15 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1j5i n GLY 16 N 4.28 -1.30 3.67 0.27 0.00 -1.07 -4.82 105.19 106.22 1j5i n GLY 16 Ca 0.49 0.60 -0.43 0.00 0.00 0.00 0.00 46.02 46.68 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 -3.01 4.27 -0.24 2.61 -1.32 0.18 -4.55 115.64 113.59 1j5i s THR 17 Ca 0.01 1.57 -0.16 0.00 -1.21 0.00 0.00 61.69 61.90 1j5i s THR 17 Cb -0.01 -4.01 -0.03 0.00 -1.51 0.00 0.00 72.50 66.94 1j5i s THR 17 CO 0.90 -0.08 0.43 -0.69 -2.21 0.00 0.00 174.62 172.97 1j5i s VAL 18 N 2.92 5.15 0.04 5.08 1.01 -1.26 0.23 120.40 133.57 1j5i s VAL 18 Ca 0.55 0.72 -0.00 0.00 0.00 0.00 0.00 61.98 63.25 1j5i s VAL 18 Cb -0.23 -3.75 0.00 0.00 0.00 0.00 0.00 36.38 32.40 1j5i s VAL 18 CO 0.18 0.17 0.06 1.33 0.00 0.00 0.00 175.10 176.84 1j5i n VAL 19 N 4.84 0.00 -5.24 2.92 0.24 -0.53 -4.99 118.33 115.57 1j5i n VAL 19 Ca -0.07 -0.22 -0.32 0.00 -2.04 0.00 0.00 64.34 61.70 1j5i n VAL 19 Cb 0.51 0.13 -0.16 0.00 -1.47 0.00 0.00 33.84 32.85 1j5i n VAL 19 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 1j5i s LYS 20 N -2.10 2.51 -0.36 7.34 -2.85 -1.26 -1.81 119.74 121.21 1j5i s LYS 20 Ca 0.04 -0.89 -0.13 0.00 -1.00 0.00 0.00 55.97 53.98 1j5i s LYS 20 Cb -0.00 -2.17 -0.01 0.00 -2.06 0.00 0.00 37.83 33.59 1j5i s LYS 20 CO 0.03 0.41 0.26 0.08 0.10 0.00 0.00 175.35 176.23 1j5i s VAL 21 N -0.24 5.28 -0.12 1.79 1.01 0.35 -1.49 120.40 126.97 1j5i s VAL 21 Ca -0.01 -0.33 -0.22 0.00 0.00 0.00 0.00 61.98 61.41 1j5i s VAL 21 Cb -0.13 -3.78 -0.03 0.00 0.00 0.00 0.00 36.38 32.44 1j5i s VAL 21 CO 0.03 -0.09 0.67 0.00 0.00 0.00 0.00 175.10 175.71 1j5i s ALA 22 N 1.72 3.44 -0.39 5.51 0.00 -0.34 -1.17 121.76 130.53 1j5i s ALA 22 Ca 0.06 -0.04 -0.12 0.00 0.00 0.00 0.00 51.96 51.87 1j5i s ALA 22 Cb -0.18 -2.96 0.04 0.00 0.00 0.00 0.00 23.12 20.02 1j5i s ALA 22 CO 0.10 -0.30 0.24 0.20 0.00 0.00 0.00 175.76 176.01 1j5i s GLY 23 N 0.94 1.95 -0.72 0.00 0.00 0.19 -1.23 107.32 108.45 1j5i s GLY 23 Ca 0.34 -1.81 -0.07 0.00 0.00 0.00 0.00 44.72 43.17 1j5i s GLY 23 CO 0.14 0.89 0.58 0.00 0.00 0.00 0.00 173.10 174.71 1j5i s ALA 24 N 1.56 3.80 0.00 3.20 0.00 0.20 -1.16 121.76 129.36 1j5i s ALA 24 Ca 0.03 -3.31 0.00 0.00 0.00 0.00 0.00 51.96 48.67 1j5i s ALA 24 Cb -0.20 -3.01 0.00 0.00 0.00 0.00 0.00 23.12 19.90 1j5i s ALA 24 CO 0.06 -2.18 0.00 0.41 0.00 0.00 0.00 175.76 174.05 1j5i n GLY 25 N 3.64 1.57 0.00 0.00 0.00 0.94 -2.36 105.19 108.97 1j5i n GLY 25 Ca 0.11 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.02 0.00 -4.56 0.99 -0.00 -0.68 -4.83 117.00 107.90 1j5i n LEU 26 Ca 0.00 0.00 -0.18 0.00 -0.00 0.00 0.00 56.01 55.83 1j5i n LEU 26 Cb 0.08 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 43.43 1j5i n LEU 26 CO 0.00 0.00 1.33 -1.10 -0.00 0.00 0.00 177.39 177.62 1j5i s GLN 27 N 2.07 1.78 -1.06 1.96 -1.52 -1.26 -4.71 119.66 116.92 1j5i s GLN 27 Ca 0.00 0.50 -0.27 0.00 -1.95 0.00 0.00 55.36 53.64 1j5i s GLN 27 Cb 0.00 -4.79 -0.22 0.00 -0.22 0.00 0.00 33.01 27.78 1j5i s GLN 27 CO 0.00 -4.18 2.15 0.00 -0.25 0.00 0.00 175.29 173.01 1j5i s ALA 28 N 13.90 0.43 0.00 6.09 0.00 -1.26 -1.50 121.76 139.42 1j5i s ALA 28 Ca 0.90 -1.41 0.00 0.00 0.00 0.00 0.00 51.96 51.45 1j5i s ALA 28 Cb -0.13 -4.69 0.00 0.00 0.00 0.00 0.00 23.12 18.30 1j5i s ALA 28 CO 0.09 -6.92 0.00 0.41 0.00 0.00 0.00 175.76 169.34 1j5i n GLY 29 N 6.21 0.76 3.28 0.00 0.00 -0.35 -4.67 105.19 110.41 1j5i n GLY 29 Ca 0.42 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.23 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 -3.60 2.61 -1.04 -0.56 -4.82 114.28 104.44 1j5i n THR 30 Ca 0.00 -1.23 -0.22 0.00 -2.04 0.00 0.00 64.05 60.56 1j5i n THR 30 Cb 0.00 -1.10 -0.16 0.00 -1.82 0.00 0.00 70.33 67.25 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 -3.29 0.18 0.00 2.41 0.00 -1.26 -1.54 121.76 118.26 1j5i s ALA 31 Ca 0.58 -0.01 0.00 0.00 0.00 0.00 0.00 51.96 52.53 1j5i s ALA 31 Cb -0.03 -1.01 0.00 0.00 0.00 0.00 0.00 23.12 22.08 1j5i s ALA 31 CO 0.39 -1.01 0.00 0.66 0.00 0.00 0.00 175.76 175.80 1j5i n TYR 32 N 5.30 -0.48 -4.06 0.00 4.02 0.60 -4.78 117.16 117.75 1j5i n TYR 32 Ca -0.06 0.00 -0.33 0.00 -0.01 0.00 0.00 57.90 57.50 1j5i n TYR 32 Cb 0.49 0.00 -0.15 0.00 -0.02 0.00 0.00 39.34 39.66 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 -0.92 3.95 0.43 7.72 1.11 -0.80 -0.46 116.67 127.70 1j5i s ASP 33 Ca 0.00 -1.02 -0.23 0.00 0.18 0.00 0.00 52.55 51.48 1j5i s ASP 33 Cb 0.00 -1.55 -0.08 0.00 1.07 0.00 0.00 42.92 42.35 1j5i s ASP 33 CO 0.00 -0.11 1.07 -0.69 1.18 0.00 0.00 175.17 176.62 1j5i s VAL 34 N 1.22 3.59 0.00 -1.27 1.01 0.16 -1.12 120.40 123.98 1j5i s VAL 34 Ca -0.02 1.16 0.00 0.00 0.00 0.00 0.00 61.98 63.12 1j5i s VAL 34 Cb -0.17 -3.57 0.00 0.00 0.00 0.00 0.00 36.38 32.64 1j5i s VAL 34 CO -0.08 -0.05 0.00 0.61 0.00 0.00 0.00 175.10 175.58 1j5i n GLY 35 N 0.24 2.25 3.40 4.51 0.00 0.12 0.53 105.19 116.24 1j5i n GLY 35 Ca 0.06 -0.41 -0.44 0.00 0.00 0.00 0.00 46.02 45.23 1j5i n GLY 35 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1j5i s GLN 36 N -2.00 3.06 0.40 1.61 1.11 -1.26 -1.58 119.66 121.01 1j5i s GLN 36 Ca 0.00 -1.16 0.08 0.00 0.01 0.00 0.00 55.36 54.28 1j5i s GLN 36 Cb 0.00 -4.26 -0.02 0.00 -1.01 0.00 0.00 33.01 27.72 1j5i s GLN 36 CO 0.00 -1.64 0.37 0.00 0.01 0.00 0.00 175.29 174.04 1j5i n ALA 38 N -1.53 0.00 -2.36 0.00 0.00 -0.25 -0.54 120.51 115.82 1j5i n ALA 38 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.04 1j5i n ALA 38 Cb 0.61 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.04 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 2.40 -0.17 0.00 -2.14 -1.26 -0.47 118.94 115.30 1j5i s TRP 39 Ca 0.00 0.66 -0.20 0.00 2.66 0.00 0.00 56.10 59.22 1j5i s TRP 39 Cb 0.00 -4.33 -0.17 0.00 -3.10 0.00 0.00 33.47 25.88 1j5i s TRP 39 CO 0.00 -1.96 0.27 -0.24 -2.66 0.00 0.00 176.95 172.36 1j5i h VAL 40 N 6.46 0.91 -2.91 -0.66 3.04 -1.41 -3.46 116.25 118.22 1j5i h VAL 40 Ca -0.27 -1.94 0.00 0.00 -1.01 0.00 0.00 66.70 63.47 1j5i h VAL 40 Cb 1.10 1.98 0.00 0.00 -2.01 0.00 0.00 31.29 32.36 1j5i h VAL 40 CO 1.09 0.31 0.00 -0.67 -1.01 0.00 0.00 177.57 177.29 1j5i n ASP 41 N -4.53 0.00 -4.55 3.17 -0.08 -1.20 -4.91 116.55 104.45 1j5i n ASP 41 Ca -0.21 -0.96 -0.24 0.00 -1.51 0.00 0.00 54.79 51.87 1j5i n ASP 41 Cb 0.52 0.00 -0.05 0.00 2.34 0.00 0.00 41.12 43.93 1j5i n ASP 41 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73 1j5i n THR 42 N -1.46 -0.04 -1.44 5.18 -1.04 -1.26 -2.12 114.28 112.09 1j5i n THR 42 Ca 0.00 -0.65 -0.16 0.00 -2.04 0.00 0.00 64.05 61.20 1j5i n THR 42 Cb 0.00 -2.39 -0.07 0.00 -1.82 0.00 0.00 70.33 66.05 1j5i n THR 42 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1j5i n GLY 43 N 6.42 1.50 3.46 3.41 0.00 -1.26 -4.90 105.19 113.82 1j5i n GLY 43 Ca 0.42 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.31 4.78 -0.41 1.61 1.01 -0.90 -5.00 120.40 119.18 1j5i s VAL 44 Ca 0.00 -0.31 -0.28 0.00 0.00 0.00 0.00 61.98 61.39 1j5i s VAL 44 Cb 0.00 -4.34 -0.02 0.00 0.00 0.00 0.00 36.38 32.02 1j5i s VAL 44 CO 0.00 -0.86 1.87 -0.22 0.00 0.00 0.00 175.10 175.89 1j5i s LEU 45 N 2.90 3.44 0.10 3.92 1.98 -1.26 -1.21 118.68 128.56 1j5i s LEU 45 Ca 0.18 1.06 0.10 0.00 -2.89 0.00 0.00 54.13 52.59 1j5i s LEU 45 Cb -0.18 -3.20 -0.04 0.00 0.66 0.00 0.00 46.19 43.44 1j5i s LEU 45 CO 0.14 -1.96 -0.25 0.00 -1.89 0.00 0.00 176.35 172.38 1j5i s ALA 46 N 7.83 2.21 0.18 5.97 0.00 0.38 -1.39 121.76 136.93 1j5i s ALA 46 Ca 0.78 -1.36 0.09 0.00 0.00 0.00 0.00 51.96 51.48 1j5i s ALA 46 Cb -0.20 -0.38 -0.04 0.00 0.00 0.00 0.00 23.12 22.50 1j5i s ALA 46 CO 0.30 0.50 -0.14 0.00 0.00 0.00 0.00 175.76 176.42 1j5i s ASN 48 N -2.71 4.21 0.08 0.00 0.02 -1.19 -0.39 114.94 114.95 1j5i s ASN 48 Ca 0.23 0.47 0.23 0.00 -1.02 0.00 0.00 52.86 52.77 1j5i s ASN 48 Cb -0.09 -0.88 0.92 0.00 0.02 0.00 0.00 41.25 41.23 1j5i s ASN 48 CO 0.13 -2.04 1.72 -0.81 0.02 0.00 0.00 177.10 176.12 1j5i n PRO 49 N -3.30 0.08 -0.58 -0.60 -0.04 -1.26 -2.21 135.00 127.10 1j5i n PRO 49 Ca 0.10 0.19 0.08 0.00 -0.04 0.00 0.00 63.50 63.83 1j5i n PRO 49 Cb 0.60 -1.62 0.31 0.00 -0.04 0.00 0.00 33.50 32.75 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 -1.60 3.21 1.28 0.55 0.00 -1.26 -4.34 120.51 118.35 1j5i n ALA 50 Ca 0.05 -2.05 0.07 0.00 0.00 0.00 0.00 53.44 51.51 1j5i n ALA 50 Cb 0.28 -0.84 0.27 0.00 0.00 0.00 0.00 19.45 19.15 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 0.05 1.35 -4.21 0.00 2.03 -0.94 -4.31 116.55 110.53 1j5i n ASP 51 Ca 0.23 -1.82 -0.40 0.00 0.52 0.00 0.00 54.79 53.32 1j5i n ASP 51 Cb 0.95 -0.13 -0.10 0.00 -0.72 0.00 0.00 41.12 41.12 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 -1.74 3.43 -0.47 -0.67 0.08 -1.18 -3.21 117.98 114.22 1j5i s PHE 52 Ca 0.24 -1.88 0.06 0.00 0.12 0.00 0.00 56.93 55.47 1j5i s PHE 52 Cb 0.13 -3.24 0.18 0.00 -0.57 0.00 0.00 43.02 39.51 1j5i s PHE 52 CO 0.18 -0.94 0.55 0.45 -0.10 0.00 0.00 175.22 175.37 1j5i s SER 53 N 2.30 -0.19 0.07 1.36 0.15 0.19 -4.93 113.70 112.65 1j5i s SER 53 Ca 0.05 -2.26 -0.36 0.00 0.70 0.00 0.00 55.95 54.07 1j5i s SER 53 Cb -0.24 0.89 -0.16 0.00 -1.71 0.00 0.00 66.02 64.80 1j5i s SER 53 CO -0.01 -0.11 1.41 -1.54 1.20 0.00 0.00 173.24 174.20 1j5i n SER 54 N 2.97 1.94 -3.75 5.45 3.41 -1.26 0.37 113.62 122.75 1j5i n SER 54 Ca 0.23 1.11 -0.10 0.00 -0.26 0.00 0.00 58.87 59.85 1j5i n SER 54 Cb 0.52 -1.22 -0.06 0.00 -0.26 0.00 0.00 64.21 63.19 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 0.82 0.10 0.03 -3.33 0.11 0.39 -4.80 120.40 113.71 1j5i s VAL 55 Ca 0.85 -0.88 0.02 0.00 -2.93 0.00 0.00 61.98 59.03 1j5i s VAL 55 Cb -0.92 -1.28 -0.02 0.00 -1.53 0.00 0.00 36.38 32.63 1j5i s VAL 55 CO 0.47 -0.46 -0.07 0.28 -3.33 0.00 0.00 175.10 171.99 1j5i s THR 56 N -3.84 0.49 0.01 5.04 -1.32 -1.26 -0.29 115.64 114.48 1j5i s THR 56 Ca 0.05 -0.82 0.02 0.00 -1.21 0.00 0.00 61.69 59.72 1j5i s THR 56 Cb 0.03 -0.53 -0.04 0.00 -1.51 0.00 0.00 72.50 70.46 1j5i s THR 56 CO -0.11 -0.24 0.01 0.00 -2.21 0.00 0.00 174.62 172.08 1j5i s ALA 57 N -1.01 3.33 0.70 11.08 0.00 -0.59 -4.22 121.76 131.06 1j5i s ALA 57 Ca -0.06 -0.97 -0.13 0.00 0.00 0.00 0.00 51.96 50.80 1j5i s ALA 57 Cb -0.08 -1.35 0.02 0.00 0.00 0.00 0.00 23.12 21.71 1j5i s ALA 57 CO 0.00 0.66 1.09 -0.51 0.00 0.00 0.00 175.76 177.01 1j5i s ASP 58 N -1.72 5.00 0.59 0.00 -0.00 0.63 -1.21 116.67 119.97 1j5i s ASP 58 Ca 0.21 1.87 0.31 0.00 -0.00 0.00 0.00 52.55 54.94 1j5i s ASP 58 Cb -0.12 -2.53 1.18 0.00 -0.00 0.00 0.00 42.92 41.45 1j5i s ASP 58 CO 0.12 -1.70 1.48 0.00 -0.00 0.00 0.00 175.17 175.08 1j5i h ALA 59 N -0.43 2.95 -0.36 5.23 0.00 -1.85 1.94 119.26 126.75 1j5i h ALA 59 Ca -0.45 -0.04 -0.21 0.00 0.00 0.00 0.00 54.91 54.21 1j5i h ALA 59 Cb 1.23 0.08 -0.11 0.00 0.00 0.00 0.00 17.79 19.00 1j5i h ALA 59 CO 0.54 -1.63 0.27 -1.71 0.00 0.00 0.00 179.25 176.71 1j5i n ASN 60 N -3.48 4.61 -3.67 0.00 2.85 -1.26 -4.37 115.26 109.94 1j5i n ASN 60 Ca 0.23 -2.72 -0.26 0.00 -0.11 0.00 0.00 54.58 51.73 1j5i n ASN 60 Cb 1.42 -0.83 -0.04 0.00 1.24 0.00 0.00 39.78 41.57 1j5i n ASN 60 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1j5i n GLY 61 N 0.25 -0.45 3.34 8.20 0.00 0.65 -4.52 105.19 112.66 1j5i n GLY 61 Ca 0.22 0.05 -0.46 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.76 6.37 -0.90 1.61 0.01 -0.96 -0.04 113.70 117.02 1j5i s SER 62 Ca 0.49 -1.95 -0.15 0.00 1.31 0.00 0.00 55.95 55.65 1j5i s SER 62 Cb -0.28 -2.25 0.19 0.00 0.21 0.00 0.00 66.02 63.90 1j5i s SER 62 CO 0.60 -0.87 0.93 0.00 0.41 0.00 0.00 173.24 174.32 1j5i s ALA 63 N 1.59 3.91 -1.18 1.44 0.00 -0.31 -0.27 121.76 126.94 1j5i s ALA 63 Ca 0.11 -3.19 -0.15 0.00 0.00 0.00 0.00 51.96 48.73 1j5i s ALA 63 Cb -0.22 -3.71 0.15 0.00 0.00 0.00 0.00 23.12 19.34 1j5i s ALA 63 CO -0.00 -2.52 1.43 -1.54 0.00 0.00 0.00 175.76 173.14 1j5i s SER 64 N 2.58 6.98 0.41 0.00 1.04 -1.26 0.52 113.70 123.98 1j5i s SER 64 Ca 0.25 -2.79 0.08 0.00 0.48 0.00 0.00 55.95 53.96 1j5i s SER 64 Cb -0.08 -2.42 -0.02 0.00 0.10 0.00 0.00 66.02 63.60 1j5i s SER 64 CO -0.09 -0.85 0.40 0.28 0.98 0.00 0.00 173.24 173.96 1j5i s THR 65 N 2.08 2.72 -0.10 2.02 -1.32 -0.31 -4.94 115.64 115.80 1j5i s THR 65 Ca 0.43 -1.31 -0.15 0.00 -1.21 0.00 0.00 61.69 59.45 1j5i s THR 65 Cb -0.02 -3.01 0.03 0.00 -1.51 0.00 0.00 72.50 68.00 1j5i s THR 65 CO -0.00 -0.00 0.38 -0.94 -2.21 0.00 0.00 174.62 171.84 1j5i s SER 66 N -4.15 -0.35 0.21 8.08 1.04 -1.26 0.13 113.70 117.40 1j5i s SER 66 Ca 0.49 0.55 -0.22 0.00 0.48 0.00 0.00 55.95 57.25 1j5i s SER 66 Cb -0.04 0.62 0.07 0.00 0.10 0.00 0.00 66.02 66.77 1j5i s SER 66 CO 0.28 -0.26 0.97 -0.22 0.98 0.00 0.00 173.24 174.99 1j5i s LEU 67 N -0.38 -0.04 -0.02 2.42 2.96 -0.75 -4.91 118.68 117.96 1j5i s LEU 67 Ca -0.05 -0.69 0.01 0.00 -0.22 0.00 0.00 54.13 53.18 1j5i s LEU 67 Cb -0.03 2.24 -0.03 0.00 0.50 0.00 0.00 46.19 48.86 1j5i s LEU 67 CO 0.02 -1.09 -0.02 -0.89 -1.32 0.00 0.00 176.35 173.05 1j5i s THR 68 N -2.50 4.06 -1.04 3.68 2.01 -1.26 -1.45 115.64 119.14 1j5i s THR 68 Ca 0.18 -0.56 -0.17 0.00 0.31 0.00 0.00 61.69 61.45 1j5i s THR 68 Cb -0.03 -2.78 0.14 0.00 0.01 0.00 0.00 72.50 69.84 1j5i s THR 68 CO 0.06 0.43 1.27 -0.69 -0.69 0.00 0.00 174.62 175.01 1j5i s VAL 69 N -1.02 4.74 -1.31 3.82 1.01 0.63 -4.82 120.40 123.46 1j5i s VAL 69 Ca 0.18 -1.87 -0.11 0.00 0.00 0.00 0.00 61.98 60.17 1j5i s VAL 69 Cb -0.11 -4.86 0.14 0.00 0.00 0.00 0.00 36.38 31.54 1j5i s VAL 69 CO 0.08 -1.60 1.90 0.54 0.00 0.00 0.00 175.10 176.02 1j5i n ARG 70 N 6.50 3.42 -0.34 2.72 5.12 -1.26 -2.23 116.66 130.59 1j5i n ARG 70 Ca 0.30 -3.36 0.30 0.00 -1.93 0.00 0.00 57.85 53.16 1j5i n ARG 70 Cb 0.47 -3.04 0.52 0.00 -1.16 0.00 0.00 32.46 29.25 1j5i n ARG 70 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 1j5i n ARG 71 N 4.70 -0.03 -4.10 5.56 0.00 -1.26 -3.90 116.66 117.63 1j5i n ARG 71 Ca 0.42 1.03 -0.35 0.00 -0.00 0.00 0.00 57.85 58.95 1j5i n ARG 71 Cb 0.38 -1.97 -0.09 0.00 0.00 0.00 0.00 32.46 30.78 1j5i n ARG 71 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 1j5i s SER 72 N -4.43 5.64 0.00 6.15 1.04 -1.26 0.17 113.70 121.02 1j5i s SER 72 Ca -0.06 0.17 0.00 0.00 0.48 0.00 0.00 55.95 56.54 1j5i s SER 72 Cb 0.25 -1.84 0.00 0.00 0.10 0.00 0.00 66.02 64.54 1j5i s SER 72 CO 0.64 0.28 0.00 2.22 0.98 0.00 0.00 173.24 177.36 1j5i n PHE 73 N 2.81 0.00 -2.53 5.02 1.16 -0.61 -4.93 117.46 118.38 1j5i n PHE 73 Ca -0.18 0.00 -0.43 0.00 -1.87 0.00 0.00 57.45 54.97 1j5i n PHE 73 Cb 0.53 0.00 -0.02 0.00 -1.61 0.00 0.00 39.48 38.38 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 0.00 4.02 0.00 3.97 2.12 -1.26 -0.45 118.70 127.10 1j5i s GLU 74 Ca 0.00 1.19 0.00 0.00 0.36 0.00 0.00 54.97 56.52 1j5i s GLU 74 Cb 0.00 -3.80 0.00 0.00 0.26 0.00 0.00 34.13 30.59 1j5i s GLU 74 CO 0.00 -0.98 0.00 0.41 -0.54 0.00 0.00 175.26 174.15 1j5i n GLY 75 N 4.04 2.74 3.20 -1.50 0.00 1.04 -4.19 105.19 110.52 1j5i n GLY 75 Ca 0.13 -1.82 -0.18 0.00 0.00 0.00 0.00 46.02 44.15 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 3.38 1.31 0.70 1.61 -0.71 0.47 0.22 117.98 124.96 1j5i s PHE 76 Ca 0.00 -0.51 -0.03 0.00 -1.04 0.00 0.00 56.93 55.36 1j5i s PHE 76 Cb 0.00 -0.71 0.10 0.00 -1.21 0.00 0.00 43.02 41.19 1j5i s PHE 76 CO 0.00 0.09 0.97 -0.51 -1.34 0.00 0.00 175.22 174.44 1j5i s LEU 77 N -2.06 2.99 0.58 -1.99 1.43 0.14 -0.70 118.68 119.07 1j5i s LEU 77 Ca 0.03 -0.06 0.34 0.00 -1.03 0.00 0.00 54.13 53.41 1j5i s LEU 77 Cb -0.08 -2.45 1.82 0.00 0.03 0.00 0.00 46.19 45.51 1j5i s LEU 77 CO 0.02 -1.71 2.20 0.15 0.23 0.00 0.00 176.35 177.24 1j5i h PHE 78 N -0.50 0.00 0.02 0.29 3.57 -1.53 -2.90 116.94 115.89 1j5i h PHE 78 Ca -0.40 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.10 1j5i h PHE 78 Cb 1.28 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.02 1j5i h PHE 78 CO -0.04 0.04 -0.01 0.22 -2.23 0.00 0.00 178.31 176.29 1j5i h ASP 79 N 0.00 -0.03 0.00 0.41 -0.00 -1.93 -3.49 116.42 111.39 1j5i h ASP 79 Ca -0.00 -0.25 0.00 0.00 -0.00 0.00 0.00 57.03 56.78 1j5i h ASP 79 Cb 0.18 0.01 0.00 0.00 -0.00 0.00 0.00 39.33 39.52 1j5i h ASP 79 CO 0.01 0.59 0.00 0.61 -0.00 0.00 0.00 179.24 180.45 1j5i n GLY 80 N 1.63 0.25 3.56 -0.78 0.00 -1.10 -5.13 105.19 103.63 1j5i n GLY 80 Ca -0.03 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.49 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 0.77 -2.25 2.61 -1.04 -1.26 -4.46 114.28 108.65 1j5i n THR 81 Ca 0.00 -0.19 -0.43 0.00 -2.04 0.00 0.00 64.05 61.39 1j5i n THR 81 Cb 0.00 -0.72 0.00 0.00 -1.82 0.00 0.00 70.33 67.79 1j5i n THR 81 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 1j5i n ARG 82 N 1.78 3.06 0.00 -2.82 0.63 -1.26 0.24 116.66 118.30 1j5i n ARG 82 Ca 0.16 -3.02 0.00 0.00 -0.92 0.00 0.00 57.85 54.07 1j5i n ARG 82 Cb 0.22 -3.42 0.00 0.00 0.45 0.00 0.00 32.46 29.72 1j5i n ARG 82 CO 0.00 0.00 0.00 1.87 -2.51 0.00 0.00 177.63 176.99 1j5i n TRP 83 N 7.49 0.00 -2.00 -0.14 -0.00 0.60 -4.67 117.44 118.71 1j5i n TRP 83 Ca 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 58.00 1j5i n TRP 83 Cb 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.74 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 3.67 -4.48 0.00 5.87 0.00 -1.05 0.34 105.19 109.55 1j5i n GLY 84 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 1.68 0.00 0.00 2.61 -1.04 -1.26 -1.94 114.28 114.32 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 -3.19 12.58 3.14 0.40 -4.76 118.33 126.51 1j5i n VAL 86 Ca 0.00 0.00 0.02 0.00 -2.96 0.00 0.00 64.34 61.40 1j5i n VAL 86 Cb 0.00 0.00 -0.01 0.00 -1.06 0.00 0.00 33.84 32.77 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 0.22 -1.52 -0.79 6.55 -1.08 -1.25 -1.57 116.67 117.22 1j5i s ASP 87 Ca 0.00 -0.46 -0.08 0.00 -0.52 0.00 0.00 52.55 51.48 1j5i s ASP 87 Cb 0.00 1.97 -0.07 0.00 -1.46 0.00 0.00 42.92 43.36 1j5i s ASP 87 CO 0.00 -0.22 1.96 0.00 0.52 0.00 0.00 175.17 177.43 1j5i n THR 89 N 4.62 0.00 0.00 0.00 -2.24 -1.26 -4.77 114.28 110.63 1j5i n THR 89 Ca 0.41 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.90 1j5i n THR 89 Cb 0.17 1.15 0.00 0.00 -2.10 0.00 0.00 70.33 69.55 1j5i n THR 89 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1j5i n THR 90 N -0.38 0.00 -2.46 4.28 -1.04 -1.26 -5.10 114.28 108.33 1j5i n THR 90 Ca 0.06 0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 61.66 1j5i n THR 90 Cb 0.32 -0.12 -0.04 0.00 -1.82 0.00 0.00 70.33 68.67 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 -1.50 3.39 -0.50 2.41 0.00 -1.26 -4.98 121.76 119.32 1j5i s ALA 91 Ca 0.00 0.86 -0.24 0.00 0.00 0.00 0.00 51.96 52.59 1j5i s ALA 91 Cb 0.00 -3.38 0.04 0.00 0.00 0.00 0.00 23.12 19.78 1j5i s ALA 91 CO 0.00 -0.28 0.87 0.00 0.00 0.00 0.00 175.76 176.35 1j5i s ALA 92 N -0.11 3.23 -0.15 0.00 0.00 -1.26 -4.70 121.76 118.77 1j5i s ALA 92 Ca 0.51 -1.13 -0.22 0.00 0.00 0.00 0.00 51.96 51.12 1j5i s ALA 92 Cb -0.30 -3.62 -0.03 0.00 0.00 0.00 0.00 23.12 19.17 1j5i s ALA 92 CO 0.35 -2.17 0.68 0.00 0.00 0.00 0.00 175.76 174.62 1j5i s GLN 94 N 1.60 3.90 -0.25 0.00 -2.07 0.30 -0.97 119.66 122.17 1j5i s GLN 94 Ca 0.33 -0.35 -0.20 0.00 -1.82 0.00 0.00 55.36 53.31 1j5i s GLN 94 Cb -0.16 -3.66 -0.02 0.00 -1.09 0.00 0.00 33.01 28.08 1j5i s GLN 94 CO 0.13 -0.20 0.64 0.08 -1.32 0.00 0.00 175.29 174.61 1j5i s VAL 95 N 1.75 4.98 0.12 3.63 1.01 0.20 -0.91 120.40 131.18 1j5i s VAL 95 Ca 0.07 1.15 -0.25 0.00 0.00 0.00 0.00 61.98 62.95 1j5i s VAL 95 Cb -0.16 -3.94 0.08 0.00 0.00 0.00 0.00 36.38 32.36 1j5i s VAL 95 CO 0.11 0.03 1.09 -0.83 0.00 0.00 0.00 175.10 175.50 1j5i s GLY 96 N 1.45 -0.11 -0.18 4.51 0.00 -0.61 -1.64 107.32 110.73 1j5i s GLY 96 Ca 0.27 0.02 -0.06 0.00 0.00 0.00 0.00 44.72 44.95 1j5i s GLY 96 CO 0.09 1.66 0.03 0.48 0.00 0.00 0.00 173.10 175.36 1j5i s LEU 97 N -3.24 3.59 0.36 0.66 2.34 -1.23 0.16 118.68 121.32 1j5i s LEU 97 Ca 0.19 -0.02 0.04 0.00 0.06 0.00 0.00 54.13 54.39 1j5i s LEU 97 Cb -0.01 -1.90 -0.01 0.00 -0.56 0.00 0.00 46.19 43.71 1j5i s LEU 97 CO 0.02 0.14 0.53 -0.94 -1.06 0.00 0.00 176.35 175.04 1j5i s SER 98 N 0.54 6.01 0.47 1.48 1.04 -0.28 -4.22 113.70 118.74 1j5i s SER 98 Ca 0.01 0.07 -0.06 0.00 0.48 0.00 0.00 55.95 56.44 1j5i s SER 98 Cb -0.13 -1.50 -0.04 0.00 0.10 0.00 0.00 66.02 64.44 1j5i s SER 98 CO 0.02 -0.45 0.80 -1.81 0.98 0.00 0.00 173.24 172.77 1j5i s ASP 99 N -4.14 6.31 -0.01 7.02 1.11 -1.26 -1.91 116.67 123.78 1j5i s ASP 99 Ca 0.44 0.99 0.08 0.00 0.18 0.00 0.00 52.55 54.24 1j5i s ASP 99 Cb -0.10 -2.27 0.25 0.00 1.07 0.00 0.00 42.92 41.87 1j5i s ASP 99 CO 0.33 -0.56 1.17 0.00 1.18 0.00 0.00 175.17 177.29 1j5i n ALA 100 N -2.10 2.54 -0.03 5.23 0.00 -1.26 -3.21 120.51 121.67 1j5i n ALA 100 Ca 0.01 -0.52 0.04 0.00 0.00 0.00 0.00 53.44 52.97 1j5i n ALA 100 Cb 0.55 -0.99 -0.13 0.00 0.00 0.00 0.00 19.45 18.88 1j5i n ALA 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j5i n ALA 101 N 0.30 2.34 -1.15 0.00 0.00 -1.26 -5.02 120.51 115.72 1j5i n ALA 101 Ca 0.09 -0.60 0.00 0.00 0.00 0.00 0.00 53.44 52.93 1j5i n ALA 101 Cb 0.29 -0.45 0.00 0.00 0.00 0.00 0.00 19.45 19.29 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 1.66 0.60 3.51 0.00 0.00 -1.20 -5.10 105.19 104.66 1j5i n GLY 102 Ca -0.10 -0.35 -0.28 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.35 3.97 -0.69 1.61 0.01 -1.26 -4.99 114.94 111.23 1j5i s ASN 103 Ca 0.00 -0.61 -0.14 0.00 -0.71 0.00 0.00 52.86 51.39 1j5i s ASN 103 Cb 0.00 -0.57 -0.19 0.00 0.41 0.00 0.00 41.25 40.90 1j5i s ASN 103 CO 0.00 0.14 1.70 0.61 -1.51 0.00 0.00 177.10 178.04 1j5i n GLY 104 N 0.42 -0.34 3.76 0.66 0.00 -1.26 -4.52 105.19 103.90 1j5i n GLY 104 Ca -0.13 0.43 -0.40 0.00 0.00 0.00 0.00 46.02 45.91 1j5i n GLY 104 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1j5i s PRO 105 N 5.60 4.66 0.09 1.61 0.04 -1.26 -4.98 135.00 140.76 1j5i s PRO 105 Ca 0.93 1.76 -0.16 0.00 0.04 0.00 0.00 61.00 63.57 1j5i s PRO 105 Cb -0.74 -3.21 -0.07 0.00 0.04 0.00 0.00 34.50 30.53 1j5i s PRO 105 CO 0.37 0.24 0.52 -1.21 0.04 0.00 0.00 177.00 176.95 1j5i s GLU 106 N -1.33 4.03 0.05 4.56 8.01 -1.26 -5.01 118.70 127.75 1j5i s GLU 106 Ca 0.44 0.54 -0.27 0.00 0.01 0.00 0.00 54.97 55.70 1j5i s GLU 106 Cb -0.31 -3.10 0.08 0.00 -4.31 0.00 0.00 34.13 26.48 1j5i s GLU 106 CO 0.39 0.59 0.68 0.20 0.01 0.00 0.00 175.26 177.13 1j5i s GLY 107 N -1.37 -0.57 -0.22 -1.39 0.00 -1.26 -3.48 107.32 99.03 1j5i s GLY 107 Ca 0.31 0.91 -0.07 0.00 0.00 0.00 0.00 44.72 45.87 1j5i s GLY 107 CO 0.18 0.50 0.05 0.54 0.00 0.00 0.00 173.10 174.36 1j5i s VAL 108 N -2.67 4.35 -0.75 1.40 0.11 -0.65 -4.76 120.40 117.43 1j5i s VAL 108 Ca -0.03 -0.17 -0.26 0.00 -2.93 0.00 0.00 61.98 58.60 1j5i s VAL 108 Cb -0.01 -3.00 -0.07 0.00 -1.53 0.00 0.00 36.38 31.78 1j5i s VAL 108 CO -0.04 0.40 2.11 0.00 -3.33 0.00 0.00 175.10 174.24 1j5i s ALA 109 N 1.08 1.52 0.06 1.54 0.00 -1.26 -0.63 121.76 124.06 1j5i s ALA 109 Ca 0.04 -0.93 -0.13 0.00 0.00 0.00 0.00 51.96 50.93 1j5i s ALA 109 Cb -0.14 -4.48 -0.06 0.00 0.00 0.00 0.00 23.12 18.44 1j5i s ALA 109 CO 0.03 -4.86 0.44 -1.50 0.00 0.00 0.00 175.76 169.87 1j5i s ILE 110 N 11.38 5.00 0.00 0.00 1.10 -0.15 -4.73 121.20 133.80 1j5i s ILE 110 Ca 0.79 0.75 0.00 0.00 -0.51 0.00 0.00 60.65 61.68 1j5i s ILE 110 Cb -0.11 -3.71 0.00 0.00 0.15 0.00 0.00 42.46 38.79 1j5i s ILE 110 CO 0.10 0.43 0.00 -0.24 -2.11 0.00 0.00 174.94 173.12 1j5i n SER 111 N 1.35 0.00 -4.02 4.50 2.88 -0.73 -4.15 113.62 113.45 1j5i n SER 111 Ca -0.10 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.32 1j5i n SER 111 Cb 0.52 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.87 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 0.49 -2.00 0.66 -0.12 -1.21 0.65 117.98 116.45 1j5i s PHE 112 Ca 0.00 -0.47 0.10 0.00 -0.05 0.00 0.00 56.93 56.51 1j5i s PHE 112 Cb 0.00 -0.31 0.59 0.00 -0.63 0.00 0.00 43.02 42.68 1j5i s PHE 112 CO 0.00 -0.12 1.04 0.27 -0.05 0.00 0.00 175.22 176.36