#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 -3.44 0.05 0.00 0.00 -1.26 -5.14 121.76 111.96 1j5i s ALA 2 Ca 0.00 1.43 -0.30 0.00 0.00 0.00 0.00 51.96 53.09 1j5i s ALA 2 Cb 0.00 -2.54 -0.05 0.00 0.00 0.00 0.00 23.12 20.53 1j5i s ALA 2 CO 0.00 -1.58 1.17 -1.25 0.00 0.00 0.00 175.76 174.10 1j5i s PRO 3 N 2.94 4.44 0.09 0.00 0.04 -1.26 -4.10 135.00 137.16 1j5i s PRO 3 Ca 0.06 1.72 0.00 0.00 0.04 0.00 0.00 61.00 62.82 1j5i s PRO 3 Cb -0.09 -3.38 0.00 0.00 0.04 0.00 0.00 34.50 31.07 1j5i s PRO 3 CO -0.14 -0.24 0.00 0.25 0.04 0.00 0.00 177.00 176.90 1j5i n THR 4 N 3.97 0.00 -2.58 1.26 -2.24 -0.45 -4.04 114.28 110.20 1j5i n THR 4 Ca 0.09 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.44 1j5i n THR 4 Cb 0.47 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.68 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 -1.02 3.55 0.01 6.98 0.00 -1.21 -2.02 121.76 128.04 1j5i s ALA 5 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 51.96 52.06 1j5i s ALA 5 Cb 0.00 -3.65 -0.01 0.00 0.00 0.00 0.00 23.12 19.45 1j5i s ALA 5 CO 0.00 -1.38 -0.02 0.95 0.00 0.00 0.00 175.76 175.30 1j5i s THR 6 N 3.63 0.12 -0.11 0.00 -4.23 -0.43 -4.44 115.64 110.18 1j5i s THR 6 Ca 0.48 -0.59 -0.23 0.00 -1.18 0.00 0.00 61.69 60.17 1j5i s THR 6 Cb -0.15 -0.21 -0.03 0.00 1.34 0.00 0.00 72.50 73.45 1j5i s THR 6 CO 0.14 -0.30 0.68 -0.69 -0.54 0.00 0.00 174.62 173.91 1j5i s VAL 7 N -0.91 5.04 0.00 2.29 1.01 -1.26 -2.11 120.40 124.46 1j5i s VAL 7 Ca -0.09 1.36 -0.01 0.00 0.00 0.00 0.00 61.98 63.24 1j5i s VAL 7 Cb -0.06 -4.01 -0.00 0.00 0.00 0.00 0.00 36.38 32.31 1j5i s VAL 7 CO -0.01 0.20 0.45 0.41 0.00 0.00 0.00 175.10 176.16 1j5i n THR 8 N 4.09 -0.02 0.00 3.92 -1.04 -0.56 -4.39 114.28 116.29 1j5i n THR 8 Ca -0.01 0.68 0.00 0.00 -2.04 0.00 0.00 64.05 62.68 1j5i n THR 8 Cb 0.51 -0.90 0.00 0.00 -1.82 0.00 0.00 70.33 68.11 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 -2.56 1.12 0.00 -2.82 -0.04 -1.26 -5.06 135.00 124.38 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 0.01 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.47 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 0.00 -4.80 3.54 7.64 -1.26 -5.02 113.62 113.72 1j5i n SER 10 Ca 0.00 0.00 -0.22 0.00 1.01 0.00 0.00 58.87 59.66 1j5i n SER 10 Cb 0.00 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.16 1j5i n SER 10 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1j5i s SER 11 N 1.34 5.32 0.00 6.43 0.15 -1.26 -1.43 113.70 124.25 1j5i s SER 11 Ca 0.00 -0.36 0.00 0.00 0.70 0.00 0.00 55.95 56.29 1j5i s SER 11 Cb 0.00 -1.24 0.00 0.00 -1.71 0.00 0.00 66.02 63.07 1j5i s SER 11 CO 0.00 -0.09 0.00 0.61 1.20 0.00 0.00 173.24 174.96 1j5i n GLY 12 N -1.16 0.61 3.86 9.45 0.00 -1.13 -4.85 105.19 111.96 1j5i n GLY 12 Ca -0.07 -0.76 -0.30 0.00 0.00 0.00 0.00 46.02 44.89 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 -0.02 2.78 0.09 0.99 1.43 -0.59 -5.05 118.68 118.33 1j5i s LEU 13 Ca 0.00 1.16 0.08 0.00 -1.03 0.00 0.00 54.13 54.34 1j5i s LEU 13 Cb 0.00 -3.88 -0.03 0.00 0.03 0.00 0.00 46.19 42.30 1j5i s LEU 13 CO 0.00 -1.57 -0.20 -0.55 0.23 0.00 0.00 176.35 174.26 1j5i s SER 14 N -4.23 2.41 -0.66 2.29 0.15 -1.26 -4.95 113.70 107.43 1j5i s SER 14 Ca 0.59 -0.67 -0.23 0.00 0.70 0.00 0.00 55.95 56.34 1j5i s SER 14 Cb -0.12 -0.13 -0.23 0.00 -1.71 0.00 0.00 66.02 63.83 1j5i s SER 14 CO 0.52 0.04 1.79 -0.67 1.20 0.00 0.00 173.24 176.13 1j5i n ASP 15 N 1.16 0.73 0.00 5.45 4.64 -1.26 -0.20 116.55 127.08 1j5i n ASP 15 Ca -0.20 -2.27 0.00 0.00 -1.38 0.00 0.00 54.79 50.95 1j5i n ASP 15 Cb 0.54 -1.25 0.00 0.00 -1.04 0.00 0.00 41.12 39.37 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 5.57 0.87 3.55 0.27 0.00 0.22 -4.74 105.19 110.92 1j5i n GLY 16 Ca 0.35 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.63 4.70 -0.05 2.61 2.01 0.72 -4.66 115.64 119.34 1j5i s THR 17 Ca 0.00 0.46 -0.30 0.00 0.31 0.00 0.00 61.69 62.16 1j5i s THR 17 Cb 0.00 -4.28 -0.04 0.00 0.01 0.00 0.00 72.50 68.19 1j5i s THR 17 CO 0.00 -0.64 1.29 -0.69 -0.69 0.00 0.00 174.62 173.89 1j5i s VAL 18 N 3.17 4.04 0.07 3.82 1.01 -1.26 0.10 120.40 131.36 1j5i s VAL 18 Ca 0.29 1.38 -0.04 0.00 0.00 0.00 0.00 61.98 63.60 1j5i s VAL 18 Cb -0.13 -3.89 -0.02 0.00 0.00 0.00 0.00 36.38 32.34 1j5i s VAL 18 CO 0.21 -0.02 0.07 0.68 0.00 0.00 0.00 175.10 176.05 1j5i s VAL 19 N 2.45 0.18 -0.21 2.92 -7.23 -0.13 -4.95 120.40 113.43 1j5i s VAL 19 Ca 0.59 -1.55 -0.15 0.00 -1.81 0.00 0.00 61.98 59.07 1j5i s VAL 19 Cb -0.27 -1.49 -0.04 0.00 0.56 0.00 0.00 36.38 35.14 1j5i s VAL 19 CO 0.23 -0.80 0.35 -1.59 -0.31 0.00 0.00 175.10 172.97 1j5i s LYS 20 N -3.91 4.15 -0.55 4.82 -2.85 -1.26 -1.47 119.74 118.66 1j5i s LYS 20 Ca 0.08 0.10 -0.13 0.00 -1.00 0.00 0.00 55.97 55.01 1j5i s LYS 20 Cb 0.07 -3.54 0.14 0.00 -2.06 0.00 0.00 37.83 32.43 1j5i s LYS 20 CO -0.09 -0.02 0.48 0.08 0.10 0.00 0.00 175.35 175.89 1j5i s VAL 21 N 1.27 4.90 -0.20 1.79 1.01 0.28 -1.49 120.40 127.96 1j5i s VAL 21 Ca 0.16 -1.75 -0.20 0.00 0.00 0.00 0.00 61.98 60.20 1j5i s VAL 21 Cb -0.14 -4.15 -0.03 0.00 0.00 0.00 0.00 36.38 32.06 1j5i s VAL 21 CO 0.07 -0.86 0.58 0.00 0.00 0.00 0.00 175.10 174.89 1j5i s ALA 22 N 1.31 3.54 -0.86 5.51 0.00 -0.90 -0.88 121.76 129.48 1j5i s ALA 22 Ca 0.06 -0.34 -0.03 0.00 0.00 0.00 0.00 51.96 51.66 1j5i s ALA 22 Cb -0.26 -2.90 0.21 0.00 0.00 0.00 0.00 23.12 20.17 1j5i s ALA 22 CO 0.00 -0.51 0.74 0.20 0.00 0.00 0.00 175.76 176.20 1j5i s GLY 23 N 1.19 2.98 -0.31 0.00 0.00 0.50 -1.32 107.32 110.36 1j5i s GLY 23 Ca 0.26 -3.73 -0.27 0.00 0.00 0.00 0.00 44.72 40.98 1j5i s GLY 23 CO 0.10 1.19 0.99 0.00 0.00 0.00 0.00 173.10 175.37 1j5i s ALA 24 N -1.09 3.52 -1.08 3.20 0.00 -0.86 -0.56 121.76 124.89 1j5i s ALA 24 Ca 0.26 -0.15 -0.07 0.00 0.00 0.00 0.00 51.96 52.00 1j5i s ALA 24 Cb -0.10 -3.55 0.01 0.00 0.00 0.00 0.00 23.12 19.48 1j5i s ALA 24 CO -0.11 -1.37 0.94 0.41 0.00 0.00 0.00 175.76 175.64 1j5i n GLY 25 N 3.93 -0.24 0.00 0.00 0.00 0.34 -1.34 105.19 107.87 1j5i n GLY 25 Ca 0.09 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 -4.07 0.00 0.22 0.99 -0.00 -0.62 -4.66 117.00 108.86 1j5i n LEU 26 Ca -0.01 0.00 0.14 0.00 -0.00 0.00 0.00 56.01 56.14 1j5i n LEU 26 Cb 0.55 0.00 0.58 0.00 -0.00 0.00 0.00 43.42 44.55 1j5i n LEU 26 CO 0.52 0.00 1.12 1.56 -0.00 0.00 0.00 177.39 180.59 1j5i h GLN 27 N 0.00 0.00 0.00 1.96 4.20 -1.82 -3.43 115.11 116.01 1j5i h GLN 27 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1j5i h GLN 27 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 1j5i h GLN 27 CO 0.00 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 178.16 1j5i n ALA 28 N -1.93 0.00 0.00 3.87 0.00 -1.26 -1.61 120.51 119.58 1j5i n ALA 28 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1j5i n ALA 28 Cb 0.70 -0.58 0.00 0.00 0.00 0.00 0.00 19.45 19.56 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 -1.50 0.89 0.00 0.00 0.00 -1.22 -3.86 105.19 99.50 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 -0.54 0.00 -3.72 2.61 -1.04 -0.63 -4.47 114.28 106.48 1j5i n THR 30 Ca 0.00 0.00 -0.24 0.00 -2.04 0.00 0.00 64.05 61.77 1j5i n THR 30 Cb 0.00 -1.75 -0.17 0.00 -1.82 0.00 0.00 70.33 66.59 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 -3.95 0.67 0.30 2.41 0.00 -1.26 -1.77 121.76 118.17 1j5i s ALA 31 Ca 0.00 -0.27 0.09 0.00 0.00 0.00 0.00 51.96 51.78 1j5i s ALA 31 Cb 0.00 -0.90 -0.06 0.00 0.00 0.00 0.00 23.12 22.16 1j5i s ALA 31 CO 0.00 -0.78 -0.10 0.71 0.00 0.00 0.00 175.76 175.59 1j5i s TYR 32 N 2.00 2.16 -0.27 0.00 2.02 0.51 -4.39 117.35 119.37 1j5i s TYR 32 Ca 0.03 -0.56 -0.21 0.00 -0.37 0.00 0.00 57.07 55.95 1j5i s TYR 32 Cb -0.14 -1.19 -0.01 0.00 -0.40 0.00 0.00 41.96 40.22 1j5i s TYR 32 CO -0.06 0.46 0.67 -0.51 -1.57 0.00 0.00 175.55 174.54 1j5i s ASP 33 N -3.51 6.61 0.06 2.29 1.01 0.52 -0.85 116.67 122.80 1j5i s ASP 33 Ca 0.30 0.70 -0.30 0.00 0.71 0.00 0.00 52.55 53.96 1j5i s ASP 33 Cb 0.02 -2.36 -0.05 0.00 1.01 0.00 0.00 42.92 41.54 1j5i s ASP 33 CO 0.14 -0.43 1.04 -0.69 0.21 0.00 0.00 175.17 175.44 1j5i s VAL 34 N 2.62 4.46 0.00 -1.27 1.01 0.20 -0.45 120.40 126.96 1j5i s VAL 34 Ca 0.28 1.86 0.00 0.00 0.00 0.00 0.00 61.98 64.12 1j5i s VAL 34 Cb -0.15 -4.19 0.00 0.00 0.00 0.00 0.00 36.38 32.04 1j5i s VAL 34 CO 0.09 0.20 0.00 0.61 0.00 0.00 0.00 175.10 176.00 1j5i n GLY 35 N 2.71 1.79 3.55 4.51 0.00 0.18 -0.15 105.19 117.77 1j5i n GLY 35 Ca 0.05 -0.39 -0.42 0.00 0.00 0.00 0.00 46.02 45.27 1j5i n GLY 35 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1j5i s GLN 36 N -2.00 3.53 0.06 1.61 0.00 -1.26 -2.33 119.66 119.29 1j5i s GLN 36 Ca 0.00 -0.25 0.04 0.00 -0.00 0.00 0.00 55.36 55.15 1j5i s GLN 36 Cb 0.00 -3.84 -0.04 0.00 0.00 0.00 0.00 33.01 29.13 1j5i s GLN 36 CO 0.00 -0.69 -0.00 0.00 0.00 0.00 0.00 175.29 174.59 1j5i s ALA 38 N -1.24 -1.91 -0.31 0.00 0.00 -0.58 -1.51 121.76 116.22 1j5i s ALA 38 Ca 0.24 1.23 -0.29 0.00 0.00 0.00 0.00 51.96 53.14 1j5i s ALA 38 Cb -0.12 0.20 -0.02 0.00 0.00 0.00 0.00 23.12 23.19 1j5i s ALA 38 CO 0.16 -0.65 1.66 1.67 0.00 0.00 0.00 175.76 178.60 1j5i s TRP 39 N -2.83 2.03 -0.22 0.00 -2.14 -1.26 0.31 118.94 114.83 1j5i s TRP 39 Ca 0.06 0.60 -0.11 0.00 2.66 0.00 0.00 56.10 59.32 1j5i s TRP 39 Cb -0.01 -4.11 -0.18 0.00 -3.10 0.00 0.00 33.47 26.06 1j5i s TRP 39 CO -0.07 -2.76 -0.01 1.55 -2.66 0.00 0.00 176.95 172.99 1j5i n VAL 40 N 7.00 1.58 -1.36 -0.66 3.14 -0.30 -4.79 118.33 122.95 1j5i n VAL 40 Ca 0.20 -0.40 0.00 0.00 -2.96 0.00 0.00 64.34 61.18 1j5i n VAL 40 Cb 0.46 -1.78 0.00 0.00 -1.06 0.00 0.00 33.84 31.46 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 -3.89 0.00 -4.57 6.55 2.03 -1.19 -4.90 116.55 110.58 1j5i n ASP 41 Ca -0.42 -0.33 -0.23 0.00 0.52 0.00 0.00 54.79 54.33 1j5i n ASP 41 Cb 0.90 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 41.22 1j5i n ASP 41 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 1j5i s THR 42 N 0.69 3.34 -1.42 5.18 2.01 -1.26 -2.99 115.64 121.20 1j5i s THR 42 Ca 0.00 -0.49 0.00 0.00 0.31 0.00 0.00 61.69 61.51 1j5i s THR 42 Cb 0.00 -4.14 0.00 0.00 0.01 0.00 0.00 72.50 68.37 1j5i s THR 42 CO 0.00 -0.65 0.00 0.61 -0.69 0.00 0.00 174.62 173.89 1j5i n GLY 43 N 6.22 0.62 3.39 4.40 0.00 -1.26 -4.97 105.19 113.60 1j5i n GLY 43 Ca 0.43 -0.29 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.65 4.82 -0.53 1.61 1.01 -1.16 -5.00 120.40 118.51 1j5i s VAL 44 Ca 0.00 -0.86 -0.26 0.00 0.00 0.00 0.00 61.98 60.86 1j5i s VAL 44 Cb 0.00 -3.73 -0.06 0.00 0.00 0.00 0.00 36.38 32.59 1j5i s VAL 44 CO 0.00 -0.31 2.30 -0.76 0.00 0.00 0.00 175.10 176.32 1j5i s LEU 45 N 1.59 3.36 -0.06 3.92 1.43 -1.26 -1.15 118.68 126.51 1j5i s LEU 45 Ca 0.03 0.88 0.01 0.00 -1.03 0.00 0.00 54.13 54.02 1j5i s LEU 45 Cb -0.20 -2.51 -0.03 0.00 0.03 0.00 0.00 46.19 43.48 1j5i s LEU 45 CO 0.07 -2.82 -0.07 0.00 0.23 0.00 0.00 176.35 173.76 1j5i s ALA 46 N 11.69 2.96 0.17 4.21 0.00 0.15 -2.56 121.76 138.37 1j5i s ALA 46 Ca 0.91 -0.90 0.05 0.00 0.00 0.00 0.00 51.96 52.01 1j5i s ALA 46 Cb -0.16 -1.20 -0.04 0.00 0.00 0.00 0.00 23.12 21.72 1j5i s ALA 46 CO 0.24 0.57 0.18 0.00 0.00 0.00 0.00 175.76 176.75 1j5i s ASN 48 N -3.23 4.86 0.01 0.00 0.02 -1.22 -0.21 114.94 115.17 1j5i s ASN 48 Ca 0.32 0.51 0.22 0.00 -1.02 0.00 0.00 52.86 52.89 1j5i s ASN 48 Cb -0.10 -1.18 0.94 0.00 0.02 0.00 0.00 41.25 40.93 1j5i s ASN 48 CO 0.25 -1.57 1.71 -0.81 0.02 0.00 0.00 177.10 176.69 1j5i n PRO 49 N -2.93 0.01 -0.42 -0.60 -0.04 -1.24 -2.09 135.00 127.69 1j5i n PRO 49 Ca 0.08 0.13 0.08 0.00 -0.04 0.00 0.00 63.50 63.75 1j5i n PRO 49 Cb 0.60 -1.52 0.27 0.00 -0.04 0.00 0.00 33.50 32.82 1j5i n PRO 49 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1j5i n ALA 50 N -1.52 2.71 1.02 0.55 0.00 -1.26 -4.25 120.51 117.77 1j5i n ALA 50 Ca 0.05 -1.55 0.09 0.00 0.00 0.00 0.00 53.44 52.02 1j5i n ALA 50 Cb 0.26 -0.77 0.28 0.00 0.00 0.00 0.00 19.45 19.22 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 0.70 1.85 -4.21 0.00 2.03 -0.89 -4.62 116.55 111.43 1j5i n ASP 51 Ca 0.20 -1.84 -0.41 0.00 0.52 0.00 0.00 54.79 53.26 1j5i n ASP 51 Cb 0.72 -0.17 -0.06 0.00 -0.72 0.00 0.00 41.12 40.88 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 -1.66 3.55 -0.43 -0.67 0.08 -1.19 -3.05 117.98 114.62 1j5i s PHE 52 Ca 0.29 -2.32 0.05 0.00 0.12 0.00 0.00 56.93 55.08 1j5i s PHE 52 Cb 0.16 -3.49 0.19 0.00 -0.57 0.00 0.00 43.02 39.30 1j5i s PHE 52 CO 0.22 -0.92 0.47 0.43 -0.10 0.00 0.00 175.22 175.33 1j5i n SER 53 N 3.85 -1.16 -4.51 1.36 7.64 0.78 -4.94 113.62 116.63 1j5i n SER 53 Ca 0.08 -2.58 -0.47 0.00 1.01 0.00 0.00 58.87 56.92 1j5i n SER 53 Cb 0.42 0.05 -0.02 0.00 -1.01 0.00 0.00 64.21 63.64 1j5i n SER 53 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1j5i n SER 54 N 2.61 0.27 -3.51 6.43 3.41 -1.26 -0.63 113.62 120.94 1j5i n SER 54 Ca 0.25 1.16 -0.09 0.00 -0.26 0.00 0.00 58.87 59.93 1j5i n SER 54 Cb 0.51 -1.14 -0.02 0.00 -0.26 0.00 0.00 64.21 63.30 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 -0.94 0.00 0.12 -3.33 0.11 -0.03 -4.75 120.40 111.57 1j5i s VAL 55 Ca 0.63 -0.11 0.04 0.00 -2.93 0.00 0.00 61.98 59.61 1j5i s VAL 55 Cb -0.82 -1.13 -0.04 0.00 -1.53 0.00 0.00 36.38 32.86 1j5i s VAL 55 CO 0.58 0.00 -0.10 -0.89 -3.33 0.00 0.00 175.10 171.36 1j5i s THR 56 N -3.42 1.01 0.13 5.04 2.01 -1.26 -0.37 115.64 118.79 1j5i s THR 56 Ca 0.04 -1.90 0.05 0.00 0.31 0.00 0.00 61.69 60.19 1j5i s THR 56 Cb -0.01 -1.66 -0.04 0.00 0.01 0.00 0.00 72.50 70.80 1j5i s THR 56 CO -0.09 -0.70 0.08 0.00 -0.69 0.00 0.00 174.62 173.22 1j5i s ALA 57 N -3.08 3.47 0.80 7.40 0.00 -0.73 -4.55 121.76 125.07 1j5i s ALA 57 Ca 0.12 -1.17 -0.11 0.00 0.00 0.00 0.00 51.96 50.79 1j5i s ALA 57 Cb 0.01 -1.30 0.08 0.00 0.00 0.00 0.00 23.12 21.91 1j5i s ALA 57 CO -0.01 0.59 1.12 -0.51 0.00 0.00 0.00 175.76 176.96 1j5i s ASP 58 N -2.79 4.04 0.56 0.00 -0.00 0.17 -4.02 116.67 114.64 1j5i s ASP 58 Ca 0.29 2.02 0.47 0.00 -0.00 0.00 0.00 52.55 55.33 1j5i s ASP 58 Cb -0.11 -2.55 1.64 0.00 -0.00 0.00 0.00 42.92 41.90 1j5i s ASP 58 CO 0.22 -2.35 1.56 0.00 -0.00 0.00 0.00 175.17 174.59 1j5i h ALA 59 N -1.13 3.73 -0.42 5.23 0.00 -1.86 3.07 119.26 127.88 1j5i h ALA 59 Ca -0.44 -0.06 -0.25 0.00 0.00 0.00 0.00 54.91 54.16 1j5i h ALA 59 Cb 1.25 0.14 -0.13 0.00 0.00 0.00 0.00 17.79 19.05 1j5i h ALA 59 CO 0.48 -2.31 0.32 -1.71 0.00 0.00 0.00 179.25 176.03 1j5i n ASN 60 N -3.86 4.69 -4.44 0.00 2.85 -1.26 -4.46 115.26 108.77 1j5i n ASN 60 Ca 0.41 -2.81 -0.40 0.00 -0.11 0.00 0.00 54.58 51.67 1j5i n ASN 60 Cb 1.92 -0.84 -0.07 0.00 1.24 0.00 0.00 39.78 42.04 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 0.12 -0.37 3.19 8.20 0.00 1.02 -3.83 105.19 113.51 1j5i n GLY 61 Ca 0.26 0.10 -0.39 0.00 0.00 0.00 0.00 46.02 45.98 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 -3.42 5.55 -0.83 1.61 0.01 -0.98 0.13 113.70 115.76 1j5i s SER 62 Ca 0.70 -1.90 -0.08 0.00 1.31 0.00 0.00 55.95 55.98 1j5i s SER 62 Cb -0.40 -1.95 0.21 0.00 0.21 0.00 0.00 66.02 64.09 1j5i s SER 62 CO 1.00 -0.63 0.74 0.00 0.41 0.00 0.00 173.24 174.77 1j5i s ALA 63 N 1.30 4.09 -1.25 1.44 0.00 0.27 0.44 121.76 128.05 1j5i s ALA 63 Ca 0.06 -3.49 -0.13 0.00 0.00 0.00 0.00 51.96 48.40 1j5i s ALA 63 Cb -0.25 -3.18 0.16 0.00 0.00 0.00 0.00 23.12 19.85 1j5i s ALA 63 CO -0.02 -2.20 1.61 -1.13 0.00 0.00 0.00 175.76 174.03 1j5i n SER 64 N 3.34 5.12 -4.70 0.00 3.41 -1.26 -0.37 113.62 119.17 1j5i n SER 64 Ca 0.15 -3.01 -0.35 0.00 -0.26 0.00 0.00 58.87 55.40 1j5i n SER 64 Cb 0.41 -1.56 -0.09 0.00 -0.26 0.00 0.00 64.21 62.71 1j5i n SER 64 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1j5i s THR 65 N 1.49 4.41 -0.11 6.66 -1.32 -0.06 -4.90 115.64 121.81 1j5i s THR 65 Ca 0.43 -0.22 -0.04 0.00 -1.21 0.00 0.00 61.69 60.65 1j5i s THR 65 Cb 0.02 -2.86 -0.04 0.00 -1.51 0.00 0.00 72.50 68.11 1j5i s THR 65 CO 0.01 0.60 0.06 -0.94 -2.21 0.00 0.00 174.62 172.14 1j5i s SER 66 N -0.92 5.74 0.20 8.08 1.04 -1.26 0.99 113.70 127.57 1j5i s SER 66 Ca 0.14 0.28 -0.06 0.00 0.48 0.00 0.00 55.95 56.78 1j5i s SER 66 Cb -0.11 -1.75 -0.02 0.00 0.10 0.00 0.00 66.02 64.23 1j5i s SER 66 CO 0.03 0.38 0.27 -0.22 0.98 0.00 0.00 173.24 174.67 1j5i s LEU 67 N -0.86 0.89 -0.15 2.42 1.98 -0.54 -4.91 118.68 117.50 1j5i s LEU 67 Ca 0.13 -1.12 -0.06 0.00 -2.89 0.00 0.00 54.13 50.19 1j5i s LEU 67 Cb -0.12 0.99 -0.04 0.00 0.66 0.00 0.00 46.19 47.68 1j5i s LEU 67 CO 0.03 -0.94 0.05 0.28 -1.89 0.00 0.00 176.35 173.88 1j5i s THR 68 N -4.07 4.73 -1.05 3.68 -1.32 -1.26 -0.96 115.64 115.39 1j5i s THR 68 Ca 0.28 -0.07 -0.17 0.00 -1.21 0.00 0.00 61.69 60.52 1j5i s THR 68 Cb 0.04 -3.09 0.14 0.00 -1.51 0.00 0.00 72.50 68.08 1j5i s THR 68 CO 0.08 0.52 1.29 -0.69 -2.21 0.00 0.00 174.62 173.61 1j5i s VAL 69 N -0.13 4.75 -1.27 5.08 1.01 0.28 -4.77 120.40 125.35 1j5i s VAL 69 Ca 0.07 -1.92 -0.10 0.00 0.00 0.00 0.00 61.98 60.02 1j5i s VAL 69 Cb -0.12 -4.87 0.17 0.00 0.00 0.00 0.00 36.38 31.56 1j5i s VAL 69 CO 0.01 -1.60 1.80 0.54 0.00 0.00 0.00 175.10 175.85 1j5i n ARG 70 N 6.48 3.59 -0.43 2.72 1.74 -1.26 0.73 116.66 130.22 1j5i n ARG 70 Ca 0.30 -3.59 0.34 0.00 -0.77 0.00 0.00 57.85 54.14 1j5i n ARG 70 Cb 0.47 -2.94 0.56 0.00 -1.02 0.00 0.00 32.46 29.52 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 4.14 -0.02 -3.49 5.56 0.63 -1.26 -3.64 116.66 118.59 1j5i n ARG 71 Ca 0.39 0.89 -0.38 0.00 -0.92 0.00 0.00 57.85 57.82 1j5i n ARG 71 Cb 0.37 -1.86 -0.10 0.00 0.45 0.00 0.00 32.46 31.32 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 -4.16 6.18 0.14 6.15 1.04 -1.24 0.36 113.70 122.16 1j5i s SER 72 Ca -0.05 0.19 -0.26 0.00 0.48 0.00 0.00 55.95 56.32 1j5i s SER 72 Cb 0.22 -2.17 0.07 0.00 0.10 0.00 0.00 66.02 64.24 1j5i s SER 72 CO 0.64 -0.10 1.00 0.72 0.98 0.00 0.00 173.24 176.47 1j5i s PHE 73 N 1.79 -0.12 -0.43 5.02 -0.12 -0.65 -4.92 117.98 118.56 1j5i s PHE 73 Ca 0.12 -0.17 -0.21 0.00 -0.05 0.00 0.00 56.93 56.62 1j5i s PHE 73 Cb -0.16 0.63 0.02 0.00 -0.63 0.00 0.00 43.02 42.89 1j5i s PHE 73 CO 0.09 -0.77 0.68 -2.00 -0.05 0.00 0.00 175.22 173.17 1j5i s GLU 74 N -3.18 3.38 0.30 1.99 2.56 -1.25 -0.65 118.70 121.83 1j5i s GLU 74 Ca 0.13 -0.23 -0.29 0.00 0.00 0.00 0.00 54.97 54.57 1j5i s GLU 74 Cb -0.01 -3.92 -0.10 0.00 2.00 0.00 0.00 34.13 32.10 1j5i s GLU 74 CO 0.02 -0.99 1.27 0.20 -0.56 0.00 0.00 175.26 175.20 1j5i s GLY 75 N 2.00 2.91 -0.25 -1.50 0.00 0.19 -3.72 107.32 106.94 1j5i s GLY 75 Ca 0.25 1.17 0.02 0.00 0.00 0.00 0.00 44.72 46.16 1j5i s GLY 75 CO 0.19 1.87 -0.08 -1.36 0.00 0.00 0.00 173.10 173.73 1j5i s PHE 76 N -0.92 2.83 0.24 1.90 0.40 0.71 0.35 117.98 123.49 1j5i s PHE 76 Ca 0.50 -2.04 -0.31 0.00 -0.60 0.00 0.00 56.93 54.47 1j5i s PHE 76 Cb -0.38 -1.76 -0.12 0.00 0.51 0.00 0.00 43.02 41.27 1j5i s PHE 76 CO 0.48 -0.83 1.61 1.28 0.70 0.00 0.00 175.22 178.46 1j5i n LEU 77 N 4.55 3.90 0.31 -0.37 7.99 0.09 -1.40 117.00 132.07 1j5i n LEU 77 Ca -0.13 1.11 0.19 0.00 -0.01 0.00 0.00 56.01 57.18 1j5i n LEU 77 Cb 0.43 -1.54 1.07 0.00 -0.11 0.00 0.00 43.42 43.27 1j5i n LEU 77 CO 0.19 0.01 1.16 2.19 -1.51 0.00 0.00 177.39 179.44 1j5i h PHE 78 N 5.47 0.00 0.24 -1.77 -0.00 -1.76 -2.06 116.94 117.06 1j5i h PHE 78 Ca -0.45 0.00 -0.00 0.00 -0.00 0.00 0.00 57.97 57.51 1j5i h PHE 78 Cb 1.23 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 37.17 1j5i h PHE 78 CO 0.60 0.00 -0.17 -0.44 -0.00 0.00 0.00 178.31 178.31 1j5i h ASP 79 N 0.00 -0.42 0.00 -0.68 5.19 -1.88 -3.47 116.42 115.16 1j5i h ASP 79 Ca 0.01 0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.45 1j5i h ASP 79 Cb 0.09 0.13 0.00 0.00 0.18 0.00 0.00 39.33 39.73 1j5i h ASP 79 CO -0.00 -0.26 0.00 0.61 -3.12 0.00 0.00 179.24 176.47 1j5i n GLY 80 N -1.29 0.44 3.83 2.75 0.00 -0.77 -5.14 105.19 105.01 1j5i n GLY 80 Ca -0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.60 1j5i n GLY 80 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1j5i s THR 81 N 0.00 4.52 -0.11 2.61 -1.32 -1.25 -4.88 115.64 115.20 1j5i s THR 81 Ca 0.00 1.25 -0.09 0.00 -1.21 0.00 0.00 61.69 61.64 1j5i s THR 81 Cb 0.00 -3.60 -0.04 0.00 -1.51 0.00 0.00 72.50 67.34 1j5i s THR 81 CO 0.00 -0.26 0.19 -0.13 -2.21 0.00 0.00 174.62 172.20 1j5i s ARG 82 N -3.10 3.65 0.00 7.08 3.00 -1.26 -0.73 118.95 127.58 1j5i s ARG 82 Ca 0.59 -0.04 0.00 0.00 0.00 0.00 0.00 55.73 56.27 1j5i s ARG 82 Cb -0.10 -3.23 0.00 0.00 0.00 0.00 0.00 34.95 31.62 1j5i s ARG 82 CO 0.15 0.68 0.00 1.87 0.00 0.00 0.00 175.30 178.00 1j5i n TRP 83 N 2.22 0.00 0.00 -0.53 -0.00 0.16 -4.87 117.44 114.42 1j5i n TRP 83 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.32 1j5i n TRP 83 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.85 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 3.05 0.98 5.00 5.87 0.00 -0.56 -4.73 105.19 114.79 1j5i n GLY 84 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.79 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 0.53 114.28 115.12 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 -1.52 12.58 0.31 0.17 -4.78 118.33 125.10 1j5i n VAL 86 Ca 0.00 0.00 -0.44 0.00 -0.01 0.00 0.00 64.34 63.89 1j5i n VAL 86 Cb 0.00 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 32.87 1j5i n VAL 86 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1j5i n ASP 87 N 8.14 2.33 -2.18 4.52 -0.08 -1.26 -1.63 116.55 126.39 1j5i n ASP 87 Ca 0.00 0.11 -0.19 0.00 -1.51 0.00 0.00 54.79 53.20 1j5i n ASP 87 Cb 0.00 -1.39 -0.08 0.00 2.34 0.00 0.00 41.12 41.99 1j5i n ASP 87 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1j5i n THR 89 N 1.35 0.54 -0.08 0.00 5.66 -1.26 -4.43 114.28 116.07 1j5i n THR 89 Ca 0.41 -0.56 -0.09 0.00 -3.05 0.00 0.00 64.05 60.76 1j5i n THR 89 Cb 0.67 -0.30 -0.04 0.00 -1.55 0.00 0.00 70.33 69.11 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 -3.40 1.09 2.02 -1.99 -3.47 112.91 107.46 1j5i h THR 90 Ca -0.03 -1.35 -0.54 0.00 0.77 0.00 0.00 66.41 65.26 1j5i h THR 90 Cb 1.09 0.69 -0.03 0.00 -1.74 0.00 0.00 68.15 68.16 1j5i h THR 90 CO 0.01 0.10 -0.10 0.00 0.37 0.00 0.00 175.52 175.90 1j5i s ALA 91 N -2.60 3.56 -0.17 6.16 0.00 -1.26 -5.05 121.76 122.41 1j5i s ALA 91 Ca -0.16 -0.21 -0.24 0.00 0.00 0.00 0.00 51.96 51.35 1j5i s ALA 91 Cb 0.02 -2.48 -0.02 0.00 0.00 0.00 0.00 23.12 20.65 1j5i s ALA 91 CO 0.30 0.48 0.76 0.00 0.00 0.00 0.00 175.76 177.31 1j5i s ALA 92 N -1.69 3.51 -0.23 0.00 0.00 -1.26 -4.79 121.76 117.30 1j5i s ALA 92 Ca 0.44 -0.05 -0.20 0.00 0.00 0.00 0.00 51.96 52.15 1j5i s ALA 92 Cb -0.13 -3.13 -0.02 0.00 0.00 0.00 0.00 23.12 19.84 1j5i s ALA 92 CO 0.20 -0.58 0.60 0.00 0.00 0.00 0.00 175.76 175.98 1j5i s GLN 94 N 2.20 3.33 -0.15 0.00 -0.21 -0.57 -0.78 119.66 123.49 1j5i s GLN 94 Ca 0.26 -0.55 -0.22 0.00 0.02 0.00 0.00 55.36 54.87 1j5i s GLN 94 Cb -0.16 -3.89 -0.03 0.00 1.00 0.00 0.00 33.01 29.94 1j5i s GLN 94 CO 0.09 -0.72 0.67 0.08 -2.12 0.00 0.00 175.29 173.29 1j5i s VAL 95 N 2.15 5.02 -0.05 1.09 1.01 0.14 0.04 120.40 129.81 1j5i s VAL 95 Ca 0.13 1.31 -0.32 0.00 0.00 0.00 0.00 61.98 63.10 1j5i s VAL 95 Cb -0.17 -3.99 0.13 0.00 0.00 0.00 0.00 36.38 32.36 1j5i s VAL 95 CO 0.13 0.16 1.34 -0.83 0.00 0.00 0.00 175.10 175.90 1j5i s GLY 96 N 1.02 -0.44 -0.32 4.51 0.00 -0.98 -1.08 107.32 110.02 1j5i s GLY 96 Ca 0.32 0.84 -0.08 0.00 0.00 0.00 0.00 44.72 45.80 1j5i s GLY 96 CO 0.13 0.16 0.12 0.48 0.00 0.00 0.00 173.10 173.99 1j5i s LEU 97 N -2.95 4.14 0.35 0.66 -0.00 -1.24 -0.65 118.68 118.99 1j5i s LEU 97 Ca 0.14 -0.79 0.05 0.00 -0.00 0.00 0.00 54.13 53.53 1j5i s LEU 97 Cb 0.06 -1.93 -0.01 0.00 -0.00 0.00 0.00 46.19 44.30 1j5i s LEU 97 CO -0.05 -0.25 0.51 -0.55 -0.00 0.00 0.00 176.35 176.01 1j5i s SER 98 N 1.52 6.00 1.01 1.48 0.15 0.40 -4.69 113.70 119.57 1j5i s SER 98 Ca 0.02 -0.01 -0.15 0.00 0.70 0.00 0.00 55.95 56.51 1j5i s SER 98 Cb -0.18 -1.42 0.07 0.00 -1.71 0.00 0.00 66.02 62.78 1j5i s SER 98 CO 0.04 -0.44 0.31 0.47 1.20 0.00 0.00 173.24 174.82 1j5i n ASP 99 N -1.72 -2.10 -0.34 5.45 8.00 -1.21 0.20 116.55 124.82 1j5i n ASP 99 Ca -0.01 0.17 0.17 0.00 0.71 0.00 0.00 54.79 55.83 1j5i n ASP 99 Cb 0.58 -1.13 0.40 0.00 -0.02 0.00 0.00 41.12 40.94 1j5i n ASP 99 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1j5i h ALA 100 N -1.78 1.88 0.00 2.24 0.00 -1.92 1.38 119.26 121.06 1j5i h ALA 100 Ca -0.47 0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.42 1j5i h ALA 100 Cb 1.31 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 1j5i h ALA 100 CO 0.36 -0.29 -0.47 0.00 0.00 0.00 0.00 179.25 178.85 1j5i h ALA 101 N 1.67 1.00 0.00 0.00 0.00 -1.97 -3.47 119.26 116.49 1j5i h ALA 101 Ca 0.60 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1j5i h ALA 101 Cb 1.17 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1j5i h ALA 101 CO -0.38 0.59 0.00 0.41 0.00 0.00 0.00 179.25 179.87 1j5i n GLY 102 N 0.21 0.85 3.83 0.00 0.00 0.47 -5.07 105.19 105.48 1j5i n GLY 102 Ca -0.01 -0.31 -0.36 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.28 6.89 0.00 1.61 -0.87 -1.26 -4.75 114.94 114.29 1j5i s ASN 103 Ca 0.00 1.15 0.00 0.00 -1.57 0.00 0.00 52.86 52.44 1j5i s ASN 103 Cb 0.00 -2.32 0.00 0.00 -0.02 0.00 0.00 41.25 38.91 1j5i s ASN 103 CO 0.00 0.13 0.00 0.61 -2.57 0.00 0.00 177.10 175.27 1j5i n GLY 104 N 0.98 2.04 2.32 0.66 0.00 -1.26 -3.36 105.19 106.57 1j5i n GLY 104 Ca -0.06 -1.23 -0.20 0.00 0.00 0.00 0.00 46.02 44.53 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 2.17 2.18 -2.96 1.61 -0.04 -1.26 -4.82 135.00 131.88 1j5i n PRO 105 Ca 0.00 -1.30 -0.44 0.00 -0.04 0.00 0.00 63.50 61.73 1j5i n PRO 105 Cb 0.00 -2.26 -0.04 0.00 -0.04 0.00 0.00 33.50 31.16 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 2.25 3.10 0.00 0.54 8.01 -1.26 -4.93 118.70 126.41 1j5i s GLU 106 Ca 0.51 -1.07 0.00 0.00 0.01 0.00 0.00 54.97 54.42 1j5i s GLU 106 Cb 0.18 -4.27 0.00 0.00 -4.31 0.00 0.00 34.13 25.73 1j5i s GLU 106 CO -0.02 -1.71 0.00 0.41 0.01 0.00 0.00 175.26 173.95 1j5i n GLY 107 N 5.31 2.10 3.60 -1.39 0.00 -1.26 -3.69 105.19 109.87 1j5i n GLY 107 Ca -0.05 -0.22 -0.34 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.54 4.51 -0.85 1.61 0.11 -0.24 -4.68 120.40 119.32 1j5i s VAL 108 Ca 0.00 -0.14 -0.25 0.00 -2.93 0.00 0.00 61.98 58.66 1j5i s VAL 108 Cb 0.00 -3.01 -0.08 0.00 -1.53 0.00 0.00 36.38 31.77 1j5i s VAL 108 CO 0.00 0.48 2.10 0.00 -3.33 0.00 0.00 175.10 174.35 1j5i s ALA 109 N 0.28 1.37 0.01 1.54 0.00 -1.26 -0.68 121.76 123.02 1j5i s ALA 109 Ca 0.01 -1.23 0.04 0.00 0.00 0.00 0.00 51.96 50.78 1j5i s ALA 109 Cb -0.13 -4.55 -0.03 0.00 0.00 0.00 0.00 23.12 18.41 1j5i s ALA 109 CO 0.01 -5.13 -0.09 -1.50 0.00 0.00 0.00 175.76 169.04 1j5i s ILE 110 N 11.58 3.44 0.00 0.00 2.07 0.04 -4.77 121.20 133.56 1j5i s ILE 110 Ca 0.77 -0.87 0.00 0.00 -1.41 0.00 0.00 60.65 59.15 1j5i s ILE 110 Cb -0.09 -2.48 0.00 0.00 0.13 0.00 0.00 42.46 40.02 1j5i s ILE 110 CO 0.03 0.39 0.00 -1.54 -1.91 0.00 0.00 174.94 171.91 1j5i n SER 111 N 1.57 0.00 -3.60 4.50 3.41 -0.51 -4.26 113.62 114.72 1j5i n SER 111 Ca -0.16 0.00 0.02 0.00 -0.26 0.00 0.00 58.87 58.48 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 0.12 -0.16 0.00 0.00 175.04 175.00 1j5i s PHE 112 N 0.00 -0.03 -2.00 7.33 5.36 -1.23 -1.54 117.98 125.87 1j5i s PHE 112 Ca 0.00 -0.04 0.13 0.00 -0.96 0.00 0.00 56.93 56.06 1j5i s PHE 112 Cb 0.00 0.54 0.78 0.00 -0.34 0.00 0.00 43.02 43.99 1j5i s PHE 112 CO 0.00 -0.21 1.21 -1.71 -1.46 0.00 0.00 175.22 173.05