#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 -2.34 0.00 0.00 -1.26 -5.12 120.51 111.79 1j5i n ALA 2 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 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 -1.25 0.00 0.00 0.00 177.50 176.25 1j5i s PRO 3 N 0.00 3.42 1.46 0.00 0.04 -1.26 -3.95 135.00 134.71 1j5i s PRO 3 Ca 0.00 0.76 0.00 0.00 0.04 0.00 0.00 61.00 61.80 1j5i s PRO 3 Cb 0.00 -4.09 0.00 0.00 0.04 0.00 0.00 34.50 30.45 1j5i s PRO 3 CO 0.00 -1.77 0.00 0.25 0.04 0.00 0.00 177.00 175.52 1j5i n THR 4 N 7.02 0.00 -2.59 1.26 -2.24 -0.90 -4.24 114.28 112.59 1j5i n THR 4 Ca 0.15 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.51 1j5i n THR 4 Cb 0.49 0.00 -0.02 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 -1.32 3.56 -0.01 6.98 0.00 -1.24 -1.68 121.76 128.05 1j5i s ALA 5 Ca 0.00 0.37 -0.02 0.00 0.00 0.00 0.00 51.96 52.31 1j5i s ALA 5 Cb 0.00 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.60 1j5i s ALA 5 CO 0.00 -0.87 0.05 0.95 0.00 0.00 0.00 175.76 175.89 1j5i s THR 6 N 2.68 0.03 0.15 0.00 -4.23 -0.29 -4.63 115.64 109.34 1j5i s THR 6 Ca 0.49 -0.26 -0.26 0.00 -1.18 0.00 0.00 61.69 60.48 1j5i s THR 6 Cb -0.19 -0.16 -0.07 0.00 1.34 0.00 0.00 72.50 73.41 1j5i s THR 6 CO 0.14 -0.14 0.82 -0.69 -0.54 0.00 0.00 174.62 174.21 1j5i s VAL 7 N -0.42 4.41 0.24 2.29 1.01 -1.26 -2.02 120.40 124.65 1j5i s VAL 7 Ca -0.05 1.78 -0.10 0.00 0.00 0.00 0.00 61.98 63.61 1j5i s VAL 7 Cb -0.03 -4.18 0.36 0.00 0.00 0.00 0.00 36.38 32.52 1j5i s VAL 7 CO 0.00 0.47 1.44 0.41 0.00 0.00 0.00 175.10 177.42 1j5i n THR 8 N 1.94 -0.42 -1.09 3.92 -1.04 -0.55 -4.43 114.28 112.61 1j5i n THR 8 Ca -0.04 2.14 -0.13 0.00 -2.04 0.00 0.00 64.05 63.98 1j5i n THR 8 Cb 0.49 -2.91 0.10 0.00 -1.82 0.00 0.00 70.33 66.19 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 -5.46 -1.26 0.00 -2.82 -0.04 -1.26 -5.03 135.00 119.13 1j5i n PRO 9 Ca 0.13 -0.85 0.00 0.00 -0.04 0.00 0.00 63.50 62.74 1j5i n PRO 9 Cb 0.43 -0.67 0.00 0.00 -0.04 0.00 0.00 33.50 33.22 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 -3.61 0.00 -3.91 3.54 7.64 -1.26 -4.96 113.62 111.06 1j5i n SER 10 Ca 0.07 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.83 1j5i n SER 10 Cb 0.26 0.01 -0.07 0.00 -1.01 0.00 0.00 64.21 63.41 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 -1.81 0.27 -1.90 6.43 1.04 -1.26 -1.71 113.70 114.76 1j5i s SER 11 Ca 0.00 -1.24 0.00 0.00 0.48 0.00 0.00 55.95 55.19 1j5i s SER 11 Cb 0.00 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.64 1j5i s SER 11 CO 0.00 -1.05 0.00 0.61 0.98 0.00 0.00 173.24 173.78 1j5i n GLY 12 N -0.38 0.16 3.06 7.32 0.00 0.05 -4.84 105.19 110.55 1j5i n GLY 12 Ca 0.01 -0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.84 -2.42 -4.12 0.99 -0.00 -0.79 -5.01 117.00 102.82 1j5i n LEU 13 Ca -0.24 -0.11 -0.16 0.00 -0.00 0.00 0.00 56.01 55.50 1j5i n LEU 13 Cb 0.69 -0.68 -0.12 0.00 -0.00 0.00 0.00 43.42 43.31 1j5i n LEU 13 CO 0.30 -2.74 -0.43 -0.55 -0.00 0.00 0.00 177.39 173.96 1j5i s SER 14 N -1.42 1.32 -0.92 1.45 0.15 -1.26 -5.02 113.70 108.01 1j5i s SER 14 Ca 0.38 -0.58 -0.14 0.00 0.70 0.00 0.00 55.95 56.31 1j5i s SER 14 Cb 0.00 -0.02 -0.28 0.00 -1.71 0.00 0.00 66.02 64.02 1j5i s SER 14 CO 0.53 -0.12 2.12 -0.90 1.20 0.00 0.00 173.24 176.06 1j5i n ASP 15 N 1.40 -0.87 -2.73 5.45 5.68 -1.26 0.46 116.55 124.68 1j5i n ASP 15 Ca -0.22 -0.30 -0.06 0.00 -0.50 0.00 0.00 54.79 53.71 1j5i n ASP 15 Cb 0.54 -0.59 0.03 0.00 -1.14 0.00 0.00 41.12 39.96 1j5i n ASP 15 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1j5i n GLY 16 N 5.31 -0.78 3.59 6.12 0.00 0.29 -4.92 105.19 114.80 1j5i n GLY 16 Ca 0.62 0.33 -0.43 0.00 0.00 0.00 0.00 46.02 46.54 1j5i n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1j5i s THR 17 N -3.17 3.98 -0.18 2.61 2.01 0.17 -4.43 115.64 116.65 1j5i s THR 17 Ca 0.19 0.96 -0.29 0.00 0.31 0.00 0.00 61.69 62.86 1j5i s THR 17 Cb -0.03 -4.43 -0.01 0.00 0.01 0.00 0.00 72.50 68.05 1j5i s THR 17 CO 0.55 -0.98 1.25 -0.69 -0.69 0.00 0.00 174.62 174.06 1j5i s VAL 18 N 5.22 4.31 0.30 3.82 1.01 -1.26 0.38 120.40 134.17 1j5i s VAL 18 Ca 0.54 1.57 0.02 0.00 0.00 0.00 0.00 61.98 64.11 1j5i s VAL 18 Cb -0.10 -4.03 -0.01 0.00 0.00 0.00 0.00 36.38 32.24 1j5i s VAL 18 CO 0.30 -0.15 0.35 1.33 0.00 0.00 0.00 175.10 176.93 1j5i n VAL 19 N 5.40 0.00 -4.40 2.92 0.24 -0.25 -4.98 118.33 117.26 1j5i n VAL 19 Ca 0.14 -1.77 -0.35 0.00 -2.04 0.00 0.00 64.34 60.32 1j5i n VAL 19 Cb 0.45 0.99 -0.10 0.00 -1.47 0.00 0.00 33.84 33.71 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 -2.89 3.08 -0.42 7.34 -2.85 -1.26 -1.46 119.74 121.28 1j5i s LYS 20 Ca 0.29 -0.44 -0.04 0.00 -1.00 0.00 0.00 55.97 54.78 1j5i s LYS 20 Cb 0.00 -2.79 0.11 0.00 -2.06 0.00 0.00 37.83 33.09 1j5i s LYS 20 CO 0.21 0.62 0.22 0.08 0.10 0.00 0.00 175.35 176.58 1j5i s VAL 21 N -0.65 3.42 -0.04 1.79 1.01 0.22 -1.48 120.40 124.67 1j5i s VAL 21 Ca 0.10 -2.01 -0.21 0.00 0.00 0.00 0.00 61.98 59.86 1j5i s VAL 21 Cb -0.12 -3.33 -0.05 0.00 0.00 0.00 0.00 36.38 32.89 1j5i s VAL 21 CO 0.02 -0.70 0.62 0.00 0.00 0.00 0.00 175.10 175.05 1j5i s ALA 22 N 1.17 3.42 -0.33 5.51 0.00 -0.86 -0.19 121.76 130.49 1j5i s ALA 22 Ca 0.08 0.05 -0.04 0.00 0.00 0.00 0.00 51.96 52.04 1j5i s ALA 22 Cb -0.23 -2.82 0.05 0.00 0.00 0.00 0.00 23.12 20.12 1j5i s ALA 22 CO -0.04 0.03 0.06 0.20 0.00 0.00 0.00 175.76 176.02 1j5i s GLY 23 N 0.32 1.81 -0.42 0.00 0.00 0.23 -1.14 107.32 108.11 1j5i s GLY 23 Ca 0.33 -1.81 -0.15 0.00 0.00 0.00 0.00 44.72 43.09 1j5i s GLY 23 CO 0.17 0.76 0.32 0.00 0.00 0.00 0.00 173.10 174.34 1j5i s ALA 24 N 1.31 3.49 -0.50 3.20 0.00 -0.67 -1.30 121.76 127.29 1j5i s ALA 24 Ca -0.03 -1.81 -0.02 0.00 0.00 0.00 0.00 51.96 50.10 1j5i s ALA 24 Cb -0.20 -2.92 0.00 0.00 0.00 0.00 0.00 23.12 20.00 1j5i s ALA 24 CO 0.00 -1.52 0.27 0.41 0.00 0.00 0.00 175.76 174.93 1j5i n GLY 25 N 5.16 0.34 0.00 0.00 0.00 -0.13 -2.12 105.19 108.45 1j5i n GLY 25 Ca -0.11 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.47 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 -1.69 0.00 -0.03 0.99 0.00 -0.77 -4.58 117.00 110.93 1j5i n LEU 26 Ca -0.02 0.00 0.19 0.00 0.00 0.00 0.00 56.01 56.18 1j5i n LEU 26 Cb 0.53 0.00 0.33 0.00 0.00 0.00 0.00 43.42 44.28 1j5i n LEU 26 CO 0.18 0.00 1.18 1.56 0.00 0.00 0.00 177.39 180.31 1j5i h GLN 27 N 0.00 0.00 0.00 1.96 1.08 -1.86 -3.42 115.11 112.86 1j5i h GLN 27 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1j5i h GLN 27 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 1j5i h GLN 27 CO 0.00 0.00 0.00 0.00 -0.95 0.00 0.00 178.83 177.88 1j5i n ALA 28 N -2.02 0.00 0.00 3.87 0.00 -1.26 -2.00 120.51 119.10 1j5i n ALA 28 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1j5i n ALA 28 Cb 1.31 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 19.82 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 -0.53 0.72 0.00 0.00 0.00 -1.01 -3.80 105.19 100.57 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 0.00 0.00 -3.85 2.61 -1.04 -0.85 -4.66 114.28 106.49 1j5i n THR 30 Ca 0.00 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 61.89 1j5i n THR 30 Cb 0.00 -1.99 -0.11 0.00 -1.82 0.00 0.00 70.33 66.41 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 -3.97 -0.33 0.00 2.41 0.00 -1.26 -1.84 121.76 116.77 1j5i s ALA 31 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 51.96 52.12 1j5i s ALA 31 Cb 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 23.12 23.03 1j5i s ALA 31 CO 0.00 -0.13 0.00 0.66 0.00 0.00 0.00 175.76 176.29 1j5i n TYR 32 N 2.34 -0.36 -4.58 0.00 4.01 0.38 -4.91 117.16 114.03 1j5i n TYR 32 Ca -0.17 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.24 1j5i n TYR 32 Cb 0.57 0.00 -0.14 0.00 -0.31 0.00 0.00 39.34 39.46 1j5i n TYR 32 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1j5i s ASP 33 N -0.25 4.05 0.27 7.72 -0.00 -1.24 0.78 116.67 128.01 1j5i s ASP 33 Ca 0.00 -0.34 -0.10 0.00 -0.00 0.00 0.00 52.55 52.10 1j5i s ASP 33 Cb 0.00 -1.63 -0.07 0.00 -0.00 0.00 0.00 42.92 41.21 1j5i s ASP 33 CO 0.00 0.13 0.61 -0.69 -0.00 0.00 0.00 175.17 175.21 1j5i s VAL 34 N 0.58 4.88 0.00 -1.27 1.01 -0.18 -0.21 120.40 125.20 1j5i s VAL 34 Ca -0.07 0.54 0.00 0.00 0.00 0.00 0.00 61.98 62.45 1j5i s VAL 34 Cb -0.15 -3.64 0.00 0.00 0.00 0.00 0.00 36.38 32.59 1j5i s VAL 34 CO 0.03 -0.16 0.00 0.61 0.00 0.00 0.00 175.10 175.58 1j5i n GLY 35 N -0.36 2.34 3.45 4.51 0.00 0.96 -0.72 105.19 115.37 1j5i n GLY 35 Ca 0.01 -0.51 -0.44 0.00 0.00 0.00 0.00 46.02 45.09 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 3.14 0.12 1.61 -0.21 -1.26 -1.56 119.66 119.51 1j5i s GLN 36 Ca 0.00 -0.87 0.05 0.00 0.02 0.00 0.00 55.36 54.56 1j5i s GLN 36 Cb 0.00 -4.11 -0.04 0.00 1.00 0.00 0.00 33.01 29.86 1j5i s GLN 36 CO 0.00 -1.30 0.06 0.00 -2.12 0.00 0.00 175.29 171.93 1j5i s ALA 38 N -1.53 -2.21 -0.09 0.00 0.00 -0.60 -1.36 121.76 115.97 1j5i s ALA 38 Ca 0.28 1.63 -0.29 0.00 0.00 0.00 0.00 51.96 53.58 1j5i s ALA 38 Cb -0.11 -0.19 -0.06 0.00 0.00 0.00 0.00 23.12 22.76 1j5i s ALA 38 CO 0.21 -0.66 1.95 1.67 0.00 0.00 0.00 175.76 178.93 1j5i s TRP 39 N -2.17 1.45 -0.23 0.00 1.48 -1.26 -0.77 118.94 117.43 1j5i s TRP 39 Ca 0.12 0.06 0.00 0.00 -1.06 0.00 0.00 56.10 55.22 1j5i s TRP 39 Cb 0.00 -4.08 -0.14 0.00 -1.16 0.00 0.00 33.47 28.09 1j5i s TRP 39 CO -0.04 -4.53 -0.21 1.55 -4.06 0.00 0.00 176.95 169.66 1j5i n VAL 40 N 6.35 1.30 -0.26 -0.66 3.14 -0.72 -4.77 118.33 122.71 1j5i n VAL 40 Ca 0.22 -0.48 0.00 0.00 -2.96 0.00 0.00 64.34 61.12 1j5i n VAL 40 Cb 0.43 -1.35 0.00 0.00 -1.06 0.00 0.00 33.84 31.86 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 -3.25 0.00 -2.72 6.55 2.03 -1.14 -4.80 116.55 113.22 1j5i n ASP 41 Ca -0.41 0.00 -0.28 0.00 0.52 0.00 0.00 54.79 54.63 1j5i n ASP 41 Cb 0.92 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 41.24 1j5i n ASP 41 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35 1j5i n THR 42 N 0.00 3.84 0.00 5.18 5.66 -1.26 -4.15 114.28 123.55 1j5i n THR 42 Ca 0.00 -2.76 0.00 0.00 -3.05 0.00 0.00 64.05 58.24 1j5i n THR 42 Cb 0.00 -2.02 0.00 0.00 -1.55 0.00 0.00 70.33 66.76 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 2.07 0.89 3.57 1.09 0.00 -1.26 -5.07 105.19 106.47 1j5i n GLY 43 Ca 0.56 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.16 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 4.92 -0.29 1.61 1.01 -1.26 -4.97 120.40 119.43 1j5i s VAL 44 Ca 0.00 0.53 -0.28 0.00 0.00 0.00 0.00 61.98 62.23 1j5i s VAL 44 Cb 0.00 -4.05 -0.04 0.00 0.00 0.00 0.00 36.38 32.29 1j5i s VAL 44 CO 0.00 -0.28 2.13 -0.22 0.00 0.00 0.00 175.10 176.72 1j5i s LEU 45 N 2.62 3.44 -0.02 3.92 0.20 -1.26 -1.75 118.68 125.84 1j5i s LEU 45 Ca 0.23 1.60 0.07 0.00 0.69 0.00 0.00 54.13 56.73 1j5i s LEU 45 Cb -0.15 -3.37 -0.02 0.00 -0.43 0.00 0.00 46.19 42.22 1j5i s LEU 45 CO 0.14 -2.02 -0.24 0.00 -0.29 0.00 0.00 176.35 173.94 1j5i s ALA 46 N 8.45 2.26 0.23 5.97 0.00 0.05 -2.10 121.76 136.62 1j5i s ALA 46 Ca 0.94 -1.12 0.04 0.00 0.00 0.00 0.00 51.96 51.82 1j5i s ALA 46 Cb -0.28 -0.61 -0.03 0.00 0.00 0.00 0.00 23.12 22.20 1j5i s ALA 46 CO 0.33 0.54 0.36 0.00 0.00 0.00 0.00 175.76 176.99 1j5i s ASN 48 N -3.79 4.87 0.14 0.00 0.02 -1.17 0.41 114.94 115.43 1j5i s ASN 48 Ca 0.35 0.22 0.24 0.00 -1.02 0.00 0.00 52.86 52.64 1j5i s ASN 48 Cb -0.10 -0.90 0.91 0.00 0.02 0.00 0.00 41.25 41.18 1j5i s ASN 48 CO 0.29 -1.51 1.73 -0.81 0.02 0.00 0.00 177.10 176.83 1j5i n PRO 49 N -2.75 0.14 -0.52 -0.60 -0.04 -1.23 -2.20 135.00 127.80 1j5i n PRO 49 Ca 0.09 0.24 0.08 0.00 -0.04 0.00 0.00 63.50 63.87 1j5i n PRO 49 Cb 0.60 -1.71 0.29 0.00 -0.04 0.00 0.00 33.50 32.65 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 -1.67 3.02 1.31 0.55 0.00 -1.26 -4.28 120.51 118.18 1j5i n ALA 50 Ca 0.04 -1.84 0.10 0.00 0.00 0.00 0.00 53.44 51.74 1j5i n ALA 50 Cb 0.30 -0.81 0.37 0.00 0.00 0.00 0.00 19.45 19.31 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 0.33 1.44 -4.18 0.00 -0.08 -0.93 -4.44 116.55 108.68 1j5i n ASP 51 Ca 0.22 -1.70 -0.40 0.00 -1.51 0.00 0.00 54.79 51.40 1j5i n ASP 51 Cb 0.86 -0.10 -0.08 0.00 2.34 0.00 0.00 41.12 44.14 1j5i n ASP 51 CO 0.00 0.00 0.00 -0.36 0.12 0.00 0.00 177.20 176.96 1j5i s PHE 52 N -1.80 3.51 -0.41 -0.67 0.08 -1.21 -3.08 117.98 114.40 1j5i s PHE 52 Ca 0.30 -2.32 0.05 0.00 0.12 0.00 0.00 56.93 55.08 1j5i s PHE 52 Cb 0.16 -3.42 0.17 0.00 -0.57 0.00 0.00 43.02 39.36 1j5i s PHE 52 CO 0.24 -0.92 0.47 0.45 -0.10 0.00 0.00 175.22 175.36 1j5i s SER 53 N 1.60 0.37 0.30 1.36 0.15 0.10 -4.97 113.70 112.61 1j5i s SER 53 Ca 0.14 -1.78 -0.13 0.00 0.70 0.00 0.00 55.95 54.88 1j5i s SER 53 Cb -0.20 0.81 -0.10 0.00 -1.71 0.00 0.00 66.02 64.83 1j5i s SER 53 CO -0.04 -0.19 -0.02 -1.54 1.20 0.00 0.00 173.24 172.65 1j5i n SER 54 N 3.77 -2.15 -3.64 5.45 3.41 -1.26 -1.02 113.62 118.18 1j5i n SER 54 Ca 0.16 0.48 -0.11 0.00 -0.26 0.00 0.00 58.87 59.14 1j5i n SER 54 Cb 0.49 -0.56 -0.05 0.00 -0.26 0.00 0.00 64.21 63.83 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 -1.21 0.07 -0.17 -3.33 0.11 0.23 -4.52 120.40 111.59 1j5i s VAL 55 Ca 0.38 -0.57 -0.14 0.00 -2.93 0.00 0.00 61.98 58.71 1j5i s VAL 55 Cb -0.37 -1.14 0.05 0.00 -1.53 0.00 0.00 36.38 33.39 1j5i s VAL 55 CO 0.42 -0.32 0.45 -0.89 -3.33 0.00 0.00 175.10 171.43 1j5i s THR 56 N -3.65 -0.00 -0.17 5.04 2.01 -1.26 -0.47 115.64 117.14 1j5i s THR 56 Ca 0.02 0.02 -0.06 0.00 0.31 0.00 0.00 61.69 61.97 1j5i s THR 56 Cb 0.02 -0.63 -0.04 0.00 0.01 0.00 0.00 72.50 71.86 1j5i s THR 56 CO -0.11 0.01 0.03 0.00 -0.69 0.00 0.00 174.62 173.86 1j5i s ALA 57 N 0.47 3.30 0.90 7.40 0.00 -0.77 -4.28 121.76 128.78 1j5i s ALA 57 Ca -0.02 -0.76 -0.11 0.00 0.00 0.00 0.00 51.96 51.07 1j5i s ALA 57 Cb -0.04 -1.81 0.13 0.00 0.00 0.00 0.00 23.12 21.40 1j5i s ALA 57 CO -0.02 0.20 1.09 -0.25 0.00 0.00 0.00 175.76 176.78 1j5i n ASP 58 N 3.49 0.24 -0.53 0.00 8.00 0.23 -2.41 116.55 125.57 1j5i n ASP 58 Ca -0.17 0.44 0.42 0.00 0.71 0.00 0.00 54.79 56.19 1j5i n ASP 58 Cb 0.52 -1.46 0.67 0.00 -0.02 0.00 0.00 41.12 40.84 1j5i n ASP 58 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1j5i n ALA 59 N -4.03 1.46 -0.51 2.24 0.00 -1.26 0.40 120.51 118.81 1j5i n ALA 59 Ca 0.12 0.69 -0.13 0.00 0.00 0.00 0.00 53.44 54.12 1j5i n ALA 59 Cb 0.52 -0.99 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 -4.12 5.25 -4.14 0.00 5.15 -1.26 -4.06 115.26 112.08 1j5i n ASN 60 Ca 0.38 -2.86 -0.35 0.00 -0.60 0.00 0.00 54.58 51.15 1j5i n ASN 60 Cb 1.61 -0.92 -0.06 0.00 -0.53 0.00 0.00 39.78 39.88 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 0.27 -0.42 3.34 8.20 0.00 1.30 -4.25 105.19 113.62 1j5i n GLY 61 Ca 0.25 0.06 -0.46 0.00 0.00 0.00 0.00 46.02 45.87 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 -3.01 6.51 -0.75 1.61 0.01 -0.97 -0.96 113.70 116.14 1j5i s SER 62 Ca 0.67 -2.23 -0.08 0.00 1.31 0.00 0.00 55.95 55.63 1j5i s SER 62 Cb -0.39 -2.23 0.19 0.00 0.21 0.00 0.00 66.02 63.80 1j5i s SER 62 CO 0.83 -0.75 0.63 0.00 0.41 0.00 0.00 173.24 174.35 1j5i s ALA 63 N 1.05 3.88 -1.13 1.44 0.00 -0.42 -0.60 121.76 125.98 1j5i s ALA 63 Ca 0.13 -3.35 -0.10 0.00 0.00 0.00 0.00 51.96 48.63 1j5i s ALA 63 Cb -0.18 -3.08 0.25 0.00 0.00 0.00 0.00 23.12 20.11 1j5i s ALA 63 CO -0.03 -2.19 1.19 -1.12 0.00 0.00 0.00 175.76 173.60 1j5i s SER 64 N 1.27 7.25 -0.14 0.00 0.01 -1.25 0.74 113.70 121.58 1j5i s SER 64 Ca 0.19 -3.43 -0.04 0.00 1.31 0.00 0.00 55.95 53.98 1j5i s SER 64 Cb -0.15 -2.26 -0.03 0.00 0.21 0.00 0.00 66.02 63.79 1j5i s SER 64 CO -0.06 -0.41 -0.02 0.28 0.41 0.00 0.00 173.24 173.44 1j5i s THR 65 N -0.51 4.07 -0.01 1.44 -1.32 0.73 -4.86 115.64 115.19 1j5i s THR 65 Ca 0.34 -0.30 -0.10 0.00 -1.21 0.00 0.00 61.69 60.41 1j5i s THR 65 Cb -0.08 -2.77 -0.05 0.00 -1.51 0.00 0.00 72.50 68.09 1j5i s THR 65 CO -0.06 0.52 0.32 -0.94 -2.21 0.00 0.00 174.62 172.24 1j5i s SER 66 N 0.07 6.61 0.23 8.08 1.04 -1.26 0.69 113.70 129.15 1j5i s SER 66 Ca 0.01 0.73 -0.14 0.00 0.48 0.00 0.00 55.95 57.03 1j5i s SER 66 Cb -0.13 -2.16 0.01 0.00 0.10 0.00 0.00 66.02 63.83 1j5i s SER 66 CO 0.02 0.30 0.49 -0.22 0.98 0.00 0.00 173.24 174.81 1j5i s LEU 67 N -1.40 0.29 -0.14 2.42 1.98 -0.54 -4.90 118.68 116.40 1j5i s LEU 67 Ca 0.25 -0.78 -0.05 0.00 -2.89 0.00 0.00 54.13 50.66 1j5i s LEU 67 Cb -0.14 1.87 -0.04 0.00 0.66 0.00 0.00 46.19 48.55 1j5i s LEU 67 CO 0.13 -1.11 0.04 0.28 -1.89 0.00 0.00 176.35 173.80 1j5i s THR 68 N -3.97 4.60 -1.00 3.68 -1.32 -1.26 -1.09 115.64 115.28 1j5i s THR 68 Ca 0.17 -0.12 -0.19 0.00 -1.21 0.00 0.00 61.69 60.35 1j5i s THR 68 Cb -0.01 -3.01 0.12 0.00 -1.51 0.00 0.00 72.50 68.09 1j5i s THR 68 CO 0.05 0.54 1.25 -0.69 -2.21 0.00 0.00 174.62 173.56 1j5i s VAL 69 N -0.27 4.61 -1.02 5.08 1.01 0.16 -4.72 120.40 125.25 1j5i s VAL 69 Ca 0.07 -1.61 -0.18 0.00 0.00 0.00 0.00 61.98 60.26 1j5i s VAL 69 Cb -0.12 -4.87 0.12 0.00 0.00 0.00 0.00 36.38 31.51 1j5i s VAL 69 CO 0.02 -1.62 1.28 -0.13 0.00 0.00 0.00 175.10 174.65 1j5i s ARG 70 N 2.98 3.72 0.43 2.72 0.52 -1.26 -0.55 118.95 127.51 1j5i s ARG 70 Ca 0.37 -1.82 0.17 0.00 -0.52 0.00 0.00 55.73 53.94 1j5i s ARG 70 Cb -0.03 -5.06 1.09 0.00 0.52 0.00 0.00 34.95 31.46 1j5i s ARG 70 CO -0.07 -1.88 1.91 -0.09 0.02 0.00 0.00 175.30 175.18 1j5i h ARG 71 N 8.61 0.37 -5.23 3.54 2.43 -1.91 -3.38 114.38 118.80 1j5i h ARG 71 Ca 0.21 -0.02 -0.62 0.00 -0.81 0.00 0.00 59.98 58.74 1j5i h ARG 71 Cb 0.98 -0.08 -0.18 0.00 -0.42 0.00 0.00 29.97 30.27 1j5i h ARG 71 CO 1.21 0.24 -0.59 -1.54 -1.51 0.00 0.00 179.97 177.79 1j5i s SER 72 N -5.88 5.44 -0.04 -3.80 1.04 -1.24 0.52 113.70 109.75 1j5i s SER 72 Ca -0.08 0.01 -0.30 0.00 0.48 0.00 0.00 55.95 56.07 1j5i s SER 72 Cb 0.21 -1.93 0.11 0.00 0.10 0.00 0.00 66.02 64.51 1j5i s SER 72 CO 0.77 0.14 1.32 0.72 0.98 0.00 0.00 173.24 177.17 1j5i s PHE 73 N 0.55 0.00 -0.44 5.02 -0.12 -0.62 -4.93 117.98 117.44 1j5i s PHE 73 Ca 0.02 -0.09 -0.19 0.00 -0.05 0.00 0.00 56.93 56.62 1j5i s PHE 73 Cb -0.13 0.54 0.03 0.00 -0.63 0.00 0.00 43.02 42.83 1j5i s PHE 73 CO 0.01 -0.21 0.55 -2.00 -0.05 0.00 0.00 175.22 173.52 1j5i s GLU 74 N -2.12 3.19 0.59 1.99 2.56 -1.25 -0.80 118.70 122.86 1j5i s GLU 74 Ca 0.24 -0.58 -0.17 0.00 0.00 0.00 0.00 54.97 54.47 1j5i s GLU 74 Cb 0.02 -3.97 -0.04 0.00 2.00 0.00 0.00 34.13 32.15 1j5i s GLU 74 CO -0.02 -0.96 1.08 0.20 -0.56 0.00 0.00 175.26 175.00 1j5i s GLY 75 N 1.96 2.24 -0.18 -1.50 0.00 0.14 -3.54 107.32 106.44 1j5i s GLY 75 Ca 0.17 0.52 -0.00 0.00 0.00 0.00 0.00 44.72 45.41 1j5i s GLY 75 CO 0.16 0.85 -0.05 -1.36 0.00 0.00 0.00 173.10 172.70 1j5i s PHE 76 N -2.28 1.81 0.79 1.90 0.40 0.17 -0.67 117.98 120.10 1j5i s PHE 76 Ca 0.66 -1.23 -0.15 0.00 -0.60 0.00 0.00 56.93 55.61 1j5i s PHE 76 Cb -0.18 -1.35 -0.00 0.00 0.51 0.00 0.00 43.02 41.99 1j5i s PHE 76 CO 0.35 -0.66 0.64 1.28 0.70 0.00 0.00 175.22 177.53 1j5i n LEU 77 N 4.84 1.37 0.09 -0.37 4.77 0.13 -1.30 117.00 126.54 1j5i n LEU 77 Ca -0.12 0.54 -0.06 0.00 -0.03 0.00 0.00 56.01 56.35 1j5i n LEU 77 Cb 0.47 -1.27 0.06 0.00 -2.33 0.00 0.00 43.42 40.35 1j5i n LEU 77 CO 0.17 -2.92 0.37 2.19 -1.33 0.00 0.00 177.39 175.86 1j5i h PHE 78 N -0.70 0.20 -0.28 -1.77 -5.15 -1.67 -3.22 116.94 104.35 1j5i h PHE 78 Ca -0.45 -0.10 0.06 0.00 -0.20 0.00 0.00 57.97 57.28 1j5i h PHE 78 Cb 1.33 -0.03 -0.06 0.00 0.22 0.00 0.00 35.95 37.41 1j5i h PHE 78 CO 0.38 0.83 -0.11 0.22 -2.00 0.00 0.00 178.31 177.63 1j5i h ASP 79 N 0.09 -0.38 0.00 -0.68 -0.00 -1.90 -3.46 116.42 110.09 1j5i h ASP 79 Ca -0.02 0.10 0.00 0.00 -0.00 0.00 0.00 57.03 57.11 1j5i h ASP 79 Cb 1.31 0.22 0.00 0.00 -0.00 0.00 0.00 39.33 40.87 1j5i h ASP 79 CO 0.11 -0.14 0.00 0.61 -0.00 0.00 0.00 179.24 179.81 1j5i n GLY 80 N -1.28 0.37 3.84 -0.78 0.00 -1.22 -5.14 105.19 100.97 1j5i n GLY 80 Ca -0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 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 4.52 -0.14 2.61 2.01 -1.26 -4.85 115.64 118.53 1j5i s THR 81 Ca 0.00 1.24 -0.09 0.00 0.31 0.00 0.00 61.69 63.15 1j5i s THR 81 Cb 0.00 -3.68 -0.05 0.00 0.01 0.00 0.00 72.50 68.78 1j5i s THR 81 CO 0.00 -0.55 0.17 0.00 -0.69 0.00 0.00 174.62 173.56 1j5i s ARG 82 N -3.75 3.82 0.00 4.92 3.03 -1.26 0.18 118.95 125.88 1j5i s ARG 82 Ca 0.59 -0.09 0.00 0.00 2.03 0.00 0.00 55.73 58.26 1j5i s ARG 82 Cb -0.10 -3.29 0.00 0.00 -1.03 0.00 0.00 34.95 30.53 1j5i s ARG 82 CO 0.25 0.55 0.00 1.87 -1.13 0.00 0.00 175.30 176.85 1j5i n TRP 83 N 2.65 0.00 0.00 5.89 -0.00 0.16 -4.83 117.44 121.31 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 2.95 0.87 5.00 5.87 0.00 -0.83 -4.73 105.19 114.32 1j5i n GLY 84 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 0.26 114.28 114.85 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 -1.73 12.58 0.31 0.02 -4.73 118.33 124.78 1j5i n VAL 86 Ca 0.00 0.00 -0.43 0.00 -0.01 0.00 0.00 64.34 63.90 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 5.63 -0.32 4.52 -1.08 -1.26 -1.60 116.67 118.56 1j5i s ASP 87 Ca 0.00 1.76 -0.04 0.00 -0.52 0.00 0.00 52.55 53.75 1j5i s ASP 87 Cb 0.00 -2.52 0.01 0.00 -1.46 0.00 0.00 42.92 38.95 1j5i s ASP 87 CO 0.00 -1.84 2.83 0.00 0.52 0.00 0.00 175.17 176.67 1j5i n THR 89 N 1.17 0.34 -0.08 0.00 5.66 -1.26 -4.40 114.28 115.71 1j5i n THR 89 Ca 0.43 -0.42 -0.09 0.00 -3.05 0.00 0.00 64.05 60.92 1j5i n THR 89 Cb 0.63 -0.09 -0.05 0.00 -1.55 0.00 0.00 70.33 69.28 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 0.30 -3.33 1.09 2.02 -1.99 -3.47 112.91 107.53 1j5i h THR 90 Ca 0.00 -1.37 -0.56 0.00 0.77 0.00 0.00 66.41 65.26 1j5i h THR 90 Cb 0.90 0.71 -0.04 0.00 -1.74 0.00 0.00 68.15 67.98 1j5i h THR 90 CO 0.00 0.10 -0.13 0.00 0.37 0.00 0.00 175.52 175.86 1j5i s ALA 91 N -2.60 3.61 -0.25 6.16 0.00 -1.26 -5.04 121.76 122.37 1j5i s ALA 91 Ca -0.18 -0.25 -0.26 0.00 0.00 0.00 0.00 51.96 51.28 1j5i s ALA 91 Cb 0.03 -2.43 -0.00 0.00 0.00 0.00 0.00 23.12 20.72 1j5i s ALA 91 CO 0.32 0.51 0.88 0.00 0.00 0.00 0.00 175.76 177.46 1j5i s ALA 92 N -1.61 3.65 -0.22 0.00 0.00 -1.26 -4.80 121.76 117.51 1j5i s ALA 92 Ca 0.41 -0.08 -0.26 0.00 0.00 0.00 0.00 51.96 52.03 1j5i s ALA 92 Cb -0.13 -3.35 -0.00 0.00 0.00 0.00 0.00 23.12 19.63 1j5i s ALA 92 CO 0.20 -0.99 0.90 0.00 0.00 0.00 0.00 175.76 175.87 1j5i s GLN 94 N 2.78 3.47 -0.38 0.00 -0.21 -0.46 -0.22 119.66 124.64 1j5i s GLN 94 Ca 0.39 -0.46 -0.23 0.00 0.02 0.00 0.00 55.36 55.08 1j5i s GLN 94 Cb -0.16 -3.84 0.01 0.00 1.00 0.00 0.00 33.01 30.03 1j5i s GLN 94 CO 0.08 -0.61 0.76 0.08 -2.12 0.00 0.00 175.29 173.49 1j5i s VAL 95 N 2.09 4.73 0.24 1.09 1.01 0.10 -0.31 120.40 129.36 1j5i s VAL 95 Ca 0.13 0.74 -0.20 0.00 0.00 0.00 0.00 61.98 62.64 1j5i s VAL 95 Cb -0.17 -4.22 0.07 0.00 0.00 0.00 0.00 36.38 32.07 1j5i s VAL 95 CO 0.12 -0.48 0.97 -0.83 0.00 0.00 0.00 175.10 174.88 1j5i s GLY 96 N 1.90 0.20 -0.01 4.51 0.00 -0.60 -1.67 107.32 111.64 1j5i s GLY 96 Ca 0.30 -0.47 0.01 0.00 0.00 0.00 0.00 44.72 44.56 1j5i s GLY 96 CO 0.18 1.74 0.01 0.48 0.00 0.00 0.00 173.10 175.51 1j5i s LEU 97 N -3.33 3.56 0.35 0.66 2.34 -1.23 -0.02 118.68 121.01 1j5i s LEU 97 Ca 0.20 0.03 -0.06 0.00 0.06 0.00 0.00 54.13 54.36 1j5i s LEU 97 Cb -0.03 -2.01 -0.05 0.00 -0.56 0.00 0.00 46.19 43.53 1j5i s LEU 97 CO 0.07 0.29 0.65 -0.94 -1.06 0.00 0.00 176.35 175.36 1j5i s SER 98 N -1.48 6.44 0.28 1.48 1.04 0.70 -3.92 113.70 118.24 1j5i s SER 98 Ca 0.19 0.85 0.00 0.00 0.48 0.00 0.00 55.95 57.48 1j5i s SER 98 Cb -0.12 -2.20 -0.04 0.00 0.10 0.00 0.00 66.02 63.76 1j5i s SER 98 CO 0.09 -0.31 0.47 -1.81 0.98 0.00 0.00 173.24 172.66 1j5i s ASP 99 N -3.34 6.34 0.00 7.02 -0.00 -1.26 -3.60 116.67 121.83 1j5i s ASP 99 Ca 0.46 0.40 0.29 0.00 -0.00 0.00 0.00 52.55 53.71 1j5i s ASP 99 Cb -0.10 -2.01 1.72 0.00 -0.00 0.00 0.00 42.92 42.53 1j5i s ASP 99 CO 0.33 -0.17 2.08 0.00 -0.00 0.00 0.00 175.17 177.41 1j5i n ALA 100 N -1.29 2.57 1.01 5.23 0.00 -1.26 -2.19 120.51 124.58 1j5i n ALA 100 Ca -0.05 -0.18 0.11 0.00 0.00 0.00 0.00 53.44 53.32 1j5i n ALA 100 Cb 0.55 -1.48 -0.01 0.00 0.00 0.00 0.00 19.45 18.52 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 -1.04 4.27 -3.21 0.00 0.00 -1.26 -4.98 120.51 114.28 1j5i n ALA 101 Ca 0.21 -0.55 -0.15 0.00 0.00 0.00 0.00 53.44 52.96 1j5i n ALA 101 Cb 0.12 -0.86 0.08 0.00 0.00 0.00 0.00 19.45 18.79 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 1.48 -0.32 3.29 0.00 0.00 -0.93 -5.03 105.19 103.68 1j5i n GLY 102 Ca 0.05 0.07 -0.24 0.00 0.00 0.00 0.00 46.02 45.91 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 -4.09 2.56 -0.77 1.61 0.01 -1.26 -5.02 114.94 107.98 1j5i s ASN 103 Ca 0.04 -0.70 -0.18 0.00 -0.71 0.00 0.00 52.86 51.31 1j5i s ASN 103 Cb -0.01 -0.14 -0.20 0.00 0.41 0.00 0.00 41.25 41.31 1j5i s ASN 103 CO 0.63 0.05 1.94 0.61 -1.51 0.00 0.00 177.10 178.82 1j5i n GLY 104 N 1.00 -0.38 3.77 0.66 0.00 -1.26 -4.50 105.19 104.49 1j5i n GLY 104 Ca -0.19 0.60 -0.30 0.00 0.00 0.00 0.00 46.02 46.13 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 6.43 -0.03 -0.51 1.61 0.04 -1.26 -4.99 135.00 136.29 1j5i s PRO 105 Ca 1.04 -0.16 -0.22 0.00 0.04 0.00 0.00 61.00 61.70 1j5i s PRO 105 Cb -0.87 -1.74 0.04 0.00 0.04 0.00 0.00 34.50 31.97 1j5i s PRO 105 CO 0.40 -2.90 0.79 -1.21 0.04 0.00 0.00 177.00 174.12 1j5i s GLU 106 N -5.60 3.27 -0.07 4.56 0.41 -1.25 -5.02 118.70 115.00 1j5i s GLU 106 Ca 0.71 -0.46 0.04 0.00 -0.41 0.00 0.00 54.97 54.85 1j5i s GLU 106 Cb -0.08 -4.04 0.00 0.00 -1.78 0.00 0.00 34.13 28.23 1j5i s GLU 106 CO 0.54 -1.31 -0.18 0.20 -0.49 0.00 0.00 175.26 174.02 1j5i s GLY 107 N 2.63 1.04 -0.28 -1.39 0.00 -1.26 -3.51 107.32 104.55 1j5i s GLY 107 Ca 0.25 -0.72 -0.10 0.00 0.00 0.00 0.00 44.72 44.14 1j5i s GLY 107 CO 0.17 -0.24 0.17 0.54 0.00 0.00 0.00 173.10 173.74 1j5i s VAL 108 N 0.29 5.06 -0.98 1.40 0.11 -0.67 -4.73 120.40 120.87 1j5i s VAL 108 Ca -0.11 0.02 -0.26 0.00 -2.93 0.00 0.00 61.98 58.69 1j5i s VAL 108 Cb -0.15 -3.43 -0.19 0.00 -1.53 0.00 0.00 36.38 31.08 1j5i s VAL 108 CO 0.05 0.23 2.21 0.00 -3.33 0.00 0.00 175.10 174.25 1j5i s ALA 109 N 1.72 0.61 -0.23 1.54 0.00 -1.26 0.01 121.76 124.15 1j5i s ALA 109 Ca 0.07 -1.27 -0.10 0.00 0.00 0.00 0.00 51.96 50.66 1j5i s ALA 109 Cb -0.16 -4.66 -0.05 0.00 0.00 0.00 0.00 23.12 18.26 1j5i s ALA 109 CO 0.09 -6.49 0.13 0.42 0.00 0.00 0.00 175.76 169.91 1j5i s ILE 110 N 15.94 5.12 0.00 0.00 1.09 0.70 -4.56 121.20 139.48 1j5i s ILE 110 Ca 0.85 0.10 0.00 0.00 -1.10 0.00 0.00 60.65 60.49 1j5i s ILE 110 Cb -0.08 -3.37 0.00 0.00 -1.06 0.00 0.00 42.46 37.95 1j5i s ILE 110 CO 0.14 0.37 0.00 -1.54 -0.10 0.00 0.00 174.94 173.81 1j5i n SER 111 N 4.22 0.00 -3.13 3.58 3.41 -0.69 -4.33 113.62 116.68 1j5i n SER 111 Ca -0.15 0.00 0.04 0.00 -0.26 0.00 0.00 58.87 58.49 1j5i n SER 111 Cb 0.52 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.47 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 -1.37 -1.08 7.33 0.08 -1.23 -0.77 117.98 120.94 1j5i s PHE 112 Ca 0.00 0.66 0.00 0.00 0.12 0.00 0.00 56.93 57.71 1j5i s PHE 112 Cb 0.00 0.24 0.00 0.00 -0.57 0.00 0.00 43.02 42.69 1j5i s PHE 112 CO 0.00 -0.83 0.27 -1.71 -0.10 0.00 0.00 175.22 172.85