#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 -0.76 -2.38 0.00 0.00 -1.26 -5.11 120.51 110.99 1j5i n ALA 2 Ca 0.00 -1.69 -0.43 0.00 0.00 0.00 0.00 53.44 51.32 1j5i n ALA 2 Cb 0.00 -1.23 -0.02 0.00 0.00 0.00 0.00 19.45 18.20 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 0.30 3.96 2.06 0.00 0.04 -1.26 -3.93 135.00 136.16 1j5i s PRO 3 Ca 0.30 1.37 0.00 0.00 0.04 0.00 0.00 61.00 62.72 1j5i s PRO 3 Cb 0.24 -3.88 0.00 0.00 0.04 0.00 0.00 34.50 30.90 1j5i s PRO 3 CO -0.19 -1.07 0.00 0.25 0.04 0.00 0.00 177.00 176.03 1j5i n THR 4 N 6.09 0.00 -2.18 1.26 -2.24 -1.07 -4.46 114.28 111.68 1j5i n THR 4 Ca 0.15 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.51 1j5i n THR 4 Cb 0.46 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.66 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 -1.67 3.59 -0.06 6.98 0.00 -1.24 -2.87 121.76 126.50 1j5i s ALA 5 Ca 0.00 0.94 -0.15 0.00 0.00 0.00 0.00 51.96 52.75 1j5i s ALA 5 Cb 0.00 -3.60 0.03 0.00 0.00 0.00 0.00 23.12 19.55 1j5i s ALA 5 CO 0.00 -0.91 0.35 0.95 0.00 0.00 0.00 175.76 176.15 1j5i s THR 6 N 2.32 0.04 0.06 0.00 -4.23 -0.16 -4.19 115.64 109.47 1j5i s THR 6 Ca 0.65 -0.29 -0.30 0.00 -1.18 0.00 0.00 61.69 60.56 1j5i s THR 6 Cb -0.33 -0.61 -0.05 0.00 1.34 0.00 0.00 72.50 72.85 1j5i s THR 6 CO 0.27 -0.16 1.14 -0.69 -0.54 0.00 0.00 174.62 174.64 1j5i s VAL 7 N -0.82 4.20 0.00 2.29 1.01 -1.26 -1.97 120.40 123.85 1j5i s VAL 7 Ca -0.09 1.61 0.00 0.00 0.00 0.00 0.00 61.98 63.50 1j5i s VAL 7 Cb -0.04 -4.03 0.00 0.00 0.00 0.00 0.00 36.38 32.31 1j5i s VAL 7 CO 0.03 0.14 0.73 0.41 0.00 0.00 0.00 175.10 176.42 1j5i n THR 8 N 3.74 0.00 0.00 3.92 -1.04 -0.25 -4.25 114.28 116.39 1j5i n THR 8 Ca 0.08 1.17 0.00 0.00 -2.04 0.00 0.00 64.05 63.25 1j5i n THR 8 Cb 0.47 -1.60 0.00 0.00 -1.82 0.00 0.00 70.33 67.38 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 -2.27 0.00 0.00 -2.82 -0.04 -1.26 -5.02 135.00 123.59 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 0.00 -0.02 0.00 0.00 -0.04 0.00 0.00 33.50 33.44 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 -0.56 3.54 7.64 -1.26 -4.94 113.62 118.04 1j5i n SER 10 Ca 0.00 0.00 0.05 0.00 1.01 0.00 0.00 58.87 59.93 1j5i n SER 10 Cb 0.00 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.19 1j5i n SER 10 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1j5i n SER 11 N -0.32 -3.34 0.00 6.43 7.64 -1.15 -1.67 113.62 121.22 1j5i n SER 11 Ca 0.00 0.37 0.00 0.00 1.01 0.00 0.00 58.87 60.25 1j5i n SER 11 Cb 0.00 -1.18 0.00 0.00 -1.01 0.00 0.00 64.21 62.02 1j5i n SER 11 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1j5i n GLY 12 N -1.15 1.77 0.54 0.23 0.00 -1.26 0.18 105.19 105.51 1j5i n GLY 12 Ca 0.00 -0.26 0.38 0.00 0.00 0.00 0.00 46.02 46.14 1j5i n GLY 12 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 1j5i h LEU 13 N 0.00 0.13 -7.67 0.99 8.10 -0.54 -3.34 115.31 112.98 1j5i h LEU 13 Ca 0.00 0.05 -0.48 0.00 0.11 0.00 0.00 57.88 57.56 1j5i h LEU 13 Cb 0.00 0.04 -0.36 0.00 -0.44 0.00 0.00 40.66 39.89 1j5i h LEU 13 CO 0.00 -0.04 -0.79 -0.55 -4.11 0.00 0.00 178.44 172.95 1j5i s SER 14 N -4.67 1.75 -0.42 0.17 0.15 -1.26 -5.02 113.70 104.40 1j5i s SER 14 Ca -0.06 -0.21 -0.10 0.00 0.70 0.00 0.00 55.95 56.28 1j5i s SER 14 Cb 0.26 -0.65 -0.10 0.00 -1.71 0.00 0.00 66.02 63.81 1j5i s SER 14 CO 0.83 -0.11 1.60 -0.90 1.20 0.00 0.00 173.24 175.86 1j5i n ASP 15 N 4.72 2.15 0.00 5.45 5.75 -1.25 -1.41 116.55 131.95 1j5i n ASP 15 Ca -0.14 -2.29 0.00 0.00 -0.01 0.00 0.00 54.79 52.35 1j5i n ASP 15 Cb 0.50 -0.79 0.00 0.00 -1.03 0.00 0.00 41.12 39.80 1j5i n ASP 15 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1j5i n GLY 16 N 4.17 0.00 3.54 6.12 0.00 -0.05 -4.56 105.19 114.40 1j5i n GLY 16 Ca 0.30 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.89 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 0.00 4.71 -0.27 2.61 2.01 -0.50 -4.76 115.64 119.43 1j5i s THR 17 Ca 0.00 0.35 -0.20 0.00 0.31 0.00 0.00 61.69 62.14 1j5i s THR 17 Cb 0.00 -4.28 -0.02 0.00 0.01 0.00 0.00 72.50 68.21 1j5i s THR 17 CO 0.00 -0.67 0.62 -0.69 -0.69 0.00 0.00 174.62 173.19 1j5i s VAL 18 N 3.14 4.97 0.29 3.82 1.01 -1.26 -0.02 120.40 132.35 1j5i s VAL 18 Ca 0.28 1.03 0.06 0.00 0.00 0.00 0.00 61.98 63.34 1j5i s VAL 18 Cb -0.13 -3.95 -0.02 0.00 0.00 0.00 0.00 36.38 32.28 1j5i s VAL 18 CO 0.21 -0.03 0.21 1.33 0.00 0.00 0.00 175.10 176.83 1j5i n VAL 19 N 5.26 0.00 -3.99 2.92 0.24 -0.60 -4.98 118.33 117.18 1j5i n VAL 19 Ca -0.01 -2.00 -0.35 0.00 -2.04 0.00 0.00 64.34 59.95 1j5i n VAL 19 Cb 0.49 0.95 -0.09 0.00 -1.47 0.00 0.00 33.84 33.71 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 -3.15 3.94 -0.50 7.34 2.20 -1.26 -1.38 119.74 126.93 1j5i s LYS 20 Ca 0.30 -0.33 -0.08 0.00 -0.36 0.00 0.00 55.97 55.50 1j5i s LYS 20 Cb 0.01 -3.21 0.13 0.00 -1.51 0.00 0.00 37.83 33.25 1j5i s LYS 20 CO 0.21 0.32 0.37 0.08 -0.36 0.00 0.00 175.35 175.96 1j5i s VAL 21 N 0.26 4.18 -0.08 4.02 1.01 0.23 -1.10 120.40 128.91 1j5i s VAL 21 Ca 0.04 -1.94 -0.19 0.00 0.00 0.00 0.00 61.98 59.89 1j5i s VAL 21 Cb -0.12 -3.75 -0.04 0.00 0.00 0.00 0.00 36.38 32.47 1j5i s VAL 21 CO 0.00 -0.79 0.53 0.00 0.00 0.00 0.00 175.10 174.84 1j5i s ALA 22 N 1.17 3.46 -0.40 5.51 0.00 -0.83 -1.47 121.76 129.20 1j5i s ALA 22 Ca 0.07 -0.10 0.01 0.00 0.00 0.00 0.00 51.96 51.94 1j5i s ALA 22 Cb -0.25 -2.70 0.11 0.00 0.00 0.00 0.00 23.12 20.28 1j5i s ALA 22 CO -0.02 0.04 0.16 0.20 0.00 0.00 0.00 175.76 176.14 1j5i s GLY 23 N 0.43 2.04 -0.48 0.00 0.00 0.17 -0.99 107.32 108.48 1j5i s GLY 23 Ca 0.29 -2.65 -0.23 0.00 0.00 0.00 0.00 44.72 42.12 1j5i s GLY 23 CO 0.13 0.99 0.82 0.00 0.00 0.00 0.00 173.10 175.04 1j5i s ALA 24 N 0.83 3.26 -0.29 3.20 0.00 -1.14 -1.47 121.76 126.15 1j5i s ALA 24 Ca 0.11 -1.12 -0.01 0.00 0.00 0.00 0.00 51.96 50.94 1j5i s ALA 24 Cb -0.21 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.37 1j5i s ALA 24 CO -0.05 -2.06 0.09 0.41 0.00 0.00 0.00 175.76 174.15 1j5i n GLY 25 N 5.04 0.42 0.00 0.00 0.00 0.49 -2.59 105.19 108.55 1j5i n GLY 25 Ca 0.02 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.88 0.00 -0.73 0.99 7.94 -0.71 -4.37 117.00 119.24 1j5i n LEU 26 Ca -0.02 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.88 1j5i n LEU 26 Cb 0.52 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.47 1j5i n LEU 26 CO 0.08 0.00 0.36 1.67 -1.11 0.00 0.00 177.39 178.39 1j5i n GLN 27 N 0.00 0.99 0.00 1.96 -0.06 -1.26 -4.73 117.38 114.29 1j5i n GLN 27 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 1j5i n GLN 27 Cb 0.00 -1.27 0.00 0.00 -4.06 0.00 0.00 30.24 24.91 1j5i n GLN 27 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1j5i n ALA 28 N 0.23 0.00 0.00 1.69 0.00 -1.26 -1.98 120.51 119.19 1j5i n ALA 28 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1j5i n ALA 28 Cb 0.36 -0.08 0.00 0.00 0.00 0.00 0.00 19.45 19.73 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 -1.98 0.26 0.00 0.00 0.00 -1.24 -1.21 105.19 101.01 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 -4.34 2.61 -1.04 -0.84 -3.06 114.28 107.61 1j5i n THR 30 Ca 0.00 0.00 -0.19 0.00 -2.04 0.00 0.00 64.05 61.82 1j5i n THR 30 Cb 0.00 0.00 -0.14 0.00 -1.82 0.00 0.00 70.33 68.37 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 -2.05 0.99 0.11 2.41 0.00 -1.26 -1.75 121.76 120.21 1j5i s ALA 31 Ca 0.00 -0.69 -0.02 0.00 0.00 0.00 0.00 51.96 51.26 1j5i s ALA 31 Cb 0.00 -0.17 0.01 0.00 0.00 0.00 0.00 23.12 22.96 1j5i s ALA 31 CO 0.00 0.19 0.18 2.48 0.00 0.00 0.00 175.76 178.60 1j5i n TYR 32 N 2.16 -0.93 -3.65 0.00 0.18 -0.06 -4.76 117.16 110.11 1j5i n TYR 32 Ca -0.17 -0.69 -0.40 0.00 1.88 0.00 0.00 57.90 58.52 1j5i n TYR 32 Cb 0.55 0.20 -0.11 0.00 -0.38 0.00 0.00 39.34 39.60 1j5i n TYR 32 CO 0.00 0.00 0.00 0.34 -2.08 0.00 0.00 176.86 175.12 1j5i s ASP 33 N -1.67 5.58 0.28 9.48 -1.08 -0.77 -1.24 116.67 127.25 1j5i s ASP 33 Ca 0.08 -1.19 -0.28 0.00 -0.52 0.00 0.00 52.55 50.63 1j5i s ASP 33 Cb -0.01 -1.96 -0.09 0.00 -1.46 0.00 0.00 42.92 39.40 1j5i s ASP 33 CO 0.06 -0.41 0.95 -0.69 0.52 0.00 0.00 175.17 175.59 1j5i s VAL 34 N 1.47 4.10 0.00 1.11 1.01 -0.32 0.09 120.40 127.87 1j5i s VAL 34 Ca 0.01 1.93 0.00 0.00 0.00 0.00 0.00 61.98 63.93 1j5i s VAL 34 Cb -0.20 -4.16 0.00 0.00 0.00 0.00 0.00 36.38 32.02 1j5i s VAL 34 CO 0.04 0.32 0.00 0.61 0.00 0.00 0.00 175.10 176.08 1j5i n GLY 35 N 1.04 2.16 3.39 4.51 0.00 0.85 -0.71 105.19 116.43 1j5i n GLY 35 Ca -0.00 -0.82 -0.44 0.00 0.00 0.00 0.00 46.02 44.76 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 0.16 1.61 -0.21 -1.26 -1.07 119.66 119.96 1j5i s GLN 36 Ca 0.00 -1.20 0.06 0.00 0.02 0.00 0.00 55.36 54.24 1j5i s GLN 36 Cb 0.00 -4.21 -0.04 0.00 1.00 0.00 0.00 33.01 29.76 1j5i s GLN 36 CO 0.00 -1.41 0.10 0.00 -2.12 0.00 0.00 175.29 171.86 1j5i n ALA 38 N -0.26 0.00 -2.26 0.00 0.00 -0.65 -1.47 120.51 115.87 1j5i n ALA 38 Ca -0.09 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.93 1j5i n ALA 38 Cb 0.55 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.97 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 2.38 -0.27 0.00 1.48 -1.26 0.34 118.94 119.61 1j5i s TRP 39 Ca 0.00 0.70 -0.10 0.00 -1.06 0.00 0.00 56.10 55.64 1j5i s TRP 39 Cb 0.00 -3.94 -0.13 0.00 -1.16 0.00 0.00 33.47 28.24 1j5i s TRP 39 CO 0.00 -2.37 -0.32 1.55 -4.06 0.00 0.00 176.95 171.75 1j5i n VAL 40 N 6.29 1.52 -1.28 -0.66 3.14 -0.47 -4.69 118.33 122.18 1j5i n VAL 40 Ca 0.17 -0.43 0.00 0.00 -2.96 0.00 0.00 64.34 61.11 1j5i n VAL 40 Cb 0.46 -1.76 0.00 0.00 -1.06 0.00 0.00 33.84 31.47 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 -4.00 0.00 -4.56 6.55 -0.08 -1.19 -4.86 116.55 108.41 1j5i n ASP 41 Ca -0.52 -0.54 -0.13 0.00 -1.51 0.00 0.00 54.79 52.09 1j5i n ASP 41 Cb 0.91 0.00 -0.09 0.00 2.34 0.00 0.00 41.12 44.29 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 -0.87 0.00 -1.58 5.18 -1.04 -1.26 -2.58 114.28 112.13 1j5i n THR 42 Ca 0.00 -0.36 -0.17 0.00 -2.04 0.00 0.00 64.05 61.48 1j5i n THR 42 Cb 0.00 -1.94 -0.07 0.00 -1.82 0.00 0.00 70.33 66.51 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 6.58 1.46 3.56 3.41 0.00 -1.26 -4.91 105.19 114.03 1j5i n GLY 43 Ca 0.45 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 46.07 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 -2.50 5.12 -0.32 1.61 1.01 -1.06 -4.97 120.40 119.30 1j5i s VAL 44 Ca 0.00 0.27 -0.28 0.00 0.00 0.00 0.00 61.98 61.97 1j5i s VAL 44 Cb 0.00 -3.83 -0.03 0.00 0.00 0.00 0.00 36.38 32.51 1j5i s VAL 44 CO 0.00 -0.06 1.98 -0.22 0.00 0.00 0.00 175.10 176.80 1j5i s LEU 45 N 2.14 3.46 -0.06 3.92 1.98 -1.26 -1.36 118.68 127.50 1j5i s LEU 45 Ca 0.15 1.44 0.05 0.00 -2.89 0.00 0.00 54.13 52.88 1j5i s LEU 45 Cb -0.16 -3.40 -0.01 0.00 0.66 0.00 0.00 46.19 43.28 1j5i s LEU 45 CO 0.12 -1.90 -0.23 0.00 -1.89 0.00 0.00 176.35 172.44 1j5i s ALA 46 N 7.82 2.03 0.18 5.97 0.00 0.15 -1.64 121.76 136.27 1j5i s ALA 46 Ca 0.87 -0.96 0.02 0.00 0.00 0.00 0.00 51.96 51.89 1j5i s ALA 46 Cb -0.25 -0.65 -0.04 0.00 0.00 0.00 0.00 23.12 22.18 1j5i s ALA 46 CO 0.33 0.37 0.32 0.00 0.00 0.00 0.00 175.76 176.78 1j5i s ASN 48 N -3.38 5.08 0.12 0.00 0.02 -1.16 -0.67 114.94 114.96 1j5i s ASN 48 Ca 0.35 0.70 0.23 0.00 -1.02 0.00 0.00 52.86 53.13 1j5i s ASN 48 Cb -0.11 -1.44 0.92 0.00 0.02 0.00 0.00 41.25 40.64 1j5i s ASN 48 CO 0.29 -1.46 1.72 -0.81 0.02 0.00 0.00 177.10 176.86 1j5i n PRO 49 N -2.91 0.12 -0.38 -0.60 -0.04 -1.20 -2.15 135.00 127.83 1j5i n PRO 49 Ca 0.07 0.22 0.08 0.00 -0.04 0.00 0.00 63.50 63.83 1j5i n PRO 49 Cb 0.59 -1.67 0.25 0.00 -0.04 0.00 0.00 33.50 32.63 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 -1.64 2.65 1.04 0.55 0.00 -1.26 -4.28 120.51 117.56 1j5i n ALA 50 Ca 0.05 -1.56 0.08 0.00 0.00 0.00 0.00 53.44 52.00 1j5i n ALA 50 Cb 0.29 -0.70 0.26 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 0.53 1.79 -4.21 0.00 2.03 -0.92 -4.56 116.55 111.22 1j5i n ASP 51 Ca 0.19 -1.86 -0.41 0.00 0.52 0.00 0.00 54.79 53.23 1j5i n ASP 51 Cb 0.69 -0.17 -0.06 0.00 -0.72 0.00 0.00 41.12 40.85 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 -1.65 3.55 -0.37 -0.67 0.08 -1.21 -3.02 117.98 114.69 1j5i s PHE 52 Ca 0.28 -2.30 0.04 0.00 0.12 0.00 0.00 56.93 55.06 1j5i s PHE 52 Cb 0.15 -3.50 0.16 0.00 -0.57 0.00 0.00 43.02 39.26 1j5i s PHE 52 CO 0.21 -0.92 0.41 0.45 -0.10 0.00 0.00 175.22 175.26 1j5i s SER 53 N 1.56 0.83 -0.21 1.36 0.15 0.11 -4.97 113.70 112.52 1j5i s SER 53 Ca 0.16 -1.43 -0.39 0.00 0.70 0.00 0.00 55.95 54.99 1j5i s SER 53 Cb -0.17 0.75 -0.15 0.00 -1.71 0.00 0.00 66.02 64.73 1j5i s SER 53 CO -0.05 -0.25 1.70 -1.54 1.20 0.00 0.00 173.24 174.29 1j5i n SER 54 N 4.32 2.37 -4.04 5.45 3.41 -1.26 -1.17 113.62 122.70 1j5i n SER 54 Ca 0.10 1.07 -0.12 0.00 -0.26 0.00 0.00 58.87 59.66 1j5i n SER 54 Cb 0.47 -1.17 -0.11 0.00 -0.26 0.00 0.00 64.21 63.13 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 3.13 0.45 0.14 -3.33 1.01 -0.37 -4.83 120.40 116.60 1j5i s VAL 55 Ca 0.96 -1.00 0.05 0.00 0.00 0.00 0.00 61.98 61.99 1j5i s VAL 55 Cb -1.02 -0.53 -0.04 0.00 0.00 0.00 0.00 36.38 34.79 1j5i s VAL 55 CO 0.62 -0.38 -0.12 -0.89 0.00 0.00 0.00 175.10 174.33 1j5i s THR 56 N -1.33 1.28 0.05 3.92 2.01 -1.26 -0.88 115.64 119.43 1j5i s THR 56 Ca -0.10 -1.94 0.02 0.00 0.31 0.00 0.00 61.69 59.98 1j5i s THR 56 Cb -0.10 -1.73 -0.04 0.00 0.01 0.00 0.00 72.50 70.64 1j5i s THR 56 CO 0.00 -0.61 0.07 0.00 -0.69 0.00 0.00 174.62 173.39 1j5i s ALA 57 N -2.83 3.53 0.89 7.40 0.00 -0.72 -4.49 121.76 125.54 1j5i s ALA 57 Ca 0.14 -0.97 -0.11 0.00 0.00 0.00 0.00 51.96 51.02 1j5i s ALA 57 Cb -0.01 -1.46 0.13 0.00 0.00 0.00 0.00 23.12 21.79 1j5i s ALA 57 CO 0.02 0.72 1.11 -0.51 0.00 0.00 0.00 175.76 177.11 1j5i s ASP 58 N -2.13 3.27 0.39 0.00 -0.00 0.20 -4.05 116.67 114.34 1j5i s ASP 58 Ca 0.27 1.95 0.26 0.00 -0.00 0.00 0.00 52.55 55.02 1j5i s ASP 58 Cb -0.12 -2.49 1.35 0.00 -0.00 0.00 0.00 42.92 41.66 1j5i s ASP 58 CO 0.19 -2.84 1.48 0.00 -0.00 0.00 0.00 175.17 174.00 1j5i n ALA 59 N -4.05 1.16 -0.59 5.23 0.00 -1.26 0.39 120.51 121.38 1j5i n ALA 59 Ca 0.10 0.88 -0.13 0.00 0.00 0.00 0.00 53.44 54.29 1j5i n ALA 59 Cb 0.53 -0.99 0.04 0.00 0.00 0.00 0.00 19.45 19.04 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 -4.82 5.52 -4.42 0.00 5.15 -1.26 -4.53 115.26 110.90 1j5i n ASN 60 Ca 0.37 -2.88 -0.38 0.00 -0.60 0.00 0.00 54.58 51.08 1j5i n ASN 60 Cb 1.37 -0.96 -0.08 0.00 -0.53 0.00 0.00 39.78 39.59 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 0.34 -0.33 3.21 8.20 0.00 1.26 -4.19 105.19 113.69 1j5i n GLY 61 Ca 0.25 0.11 -0.39 0.00 0.00 0.00 0.00 46.02 45.99 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 -3.60 5.50 -0.64 1.61 0.01 -1.00 -0.38 113.70 115.21 1j5i s SER 62 Ca 0.58 -1.73 -0.09 0.00 1.31 0.00 0.00 55.95 56.01 1j5i s SER 62 Cb -0.33 -1.93 0.17 0.00 0.21 0.00 0.00 66.02 64.13 1j5i s SER 62 CO 1.00 -0.56 0.53 0.00 0.41 0.00 0.00 173.24 174.62 1j5i s ALA 63 N 1.32 3.70 -1.04 1.44 0.00 -0.54 0.58 121.76 127.23 1j5i s ALA 63 Ca 0.04 -3.02 -0.04 0.00 0.00 0.00 0.00 51.96 48.95 1j5i s ALA 63 Cb -0.24 -3.04 0.30 0.00 0.00 0.00 0.00 23.12 20.14 1j5i s ALA 63 CO -0.01 -2.10 1.34 -1.13 0.00 0.00 0.00 175.76 173.87 1j5i n SER 64 N 4.19 5.98 -4.57 0.00 3.41 -1.25 0.43 113.62 121.81 1j5i n SER 64 Ca 0.04 -3.35 -0.34 0.00 -0.26 0.00 0.00 58.87 54.95 1j5i n SER 64 Cb 0.42 -1.22 -0.11 0.00 -0.26 0.00 0.00 64.21 63.04 1j5i n SER 64 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1j5i s THR 65 N -2.51 3.91 -0.13 6.66 2.01 -0.54 -4.83 115.64 120.21 1j5i s THR 65 Ca 0.32 -0.38 -0.10 0.00 0.31 0.00 0.00 61.69 61.84 1j5i s THR 65 Cb 0.03 -2.65 -0.05 0.00 0.01 0.00 0.00 72.50 69.85 1j5i s THR 65 CO 0.06 0.56 0.20 -0.94 -0.69 0.00 0.00 174.62 173.81 1j5i s SER 66 N -0.39 6.41 0.20 3.53 1.04 -1.26 0.74 113.70 123.97 1j5i s SER 66 Ca 0.06 0.48 -0.01 0.00 0.48 0.00 0.00 55.95 56.96 1j5i s SER 66 Cb -0.12 -2.12 -0.04 0.00 0.10 0.00 0.00 66.02 63.84 1j5i s SER 66 CO 0.02 0.29 0.14 -0.76 0.98 0.00 0.00 173.24 173.91 1j5i s LEU 67 N -0.42 1.13 -0.24 2.42 1.02 -0.48 -4.93 118.68 117.19 1j5i s LEU 67 Ca 0.15 -1.38 -0.09 0.00 0.02 0.00 0.00 54.13 52.83 1j5i s LEU 67 Cb -0.13 0.42 -0.04 0.00 0.02 0.00 0.00 46.19 46.46 1j5i s LEU 67 CO 0.04 -0.85 0.12 0.28 0.02 0.00 0.00 176.35 175.95 1j5i s THR 68 N -4.16 4.91 -0.95 5.49 -1.32 -1.26 -1.55 115.64 116.80 1j5i s THR 68 Ca 0.39 0.02 -0.19 0.00 -1.21 0.00 0.00 61.69 60.70 1j5i s THR 68 Cb 0.07 -3.28 0.13 0.00 -1.51 0.00 0.00 72.50 67.91 1j5i s THR 68 CO 0.12 0.35 1.16 -0.69 -2.21 0.00 0.00 174.62 173.35 1j5i s VAL 69 N 1.18 4.72 -1.12 5.08 1.01 0.98 -4.84 120.40 127.41 1j5i s VAL 69 Ca 0.06 -1.63 -0.07 0.00 0.00 0.00 0.00 61.98 60.34 1j5i s VAL 69 Cb -0.14 -4.80 0.28 0.00 0.00 0.00 0.00 36.38 31.71 1j5i s VAL 69 CO 0.05 -1.53 1.38 0.54 0.00 0.00 0.00 175.10 175.53 1j5i n ARG 70 N 6.56 3.96 -0.65 2.72 1.74 -1.26 -0.87 116.66 128.87 1j5i n ARG 70 Ca 0.25 -4.38 0.49 0.00 -0.77 0.00 0.00 57.85 53.44 1j5i n ARG 70 Cb 0.49 -2.60 0.75 0.00 -1.02 0.00 0.00 32.46 30.07 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 2.39 -0.00 -3.25 5.56 0.63 -1.26 -4.07 116.66 116.67 1j5i n ARG 71 Ca 0.27 0.99 -0.39 0.00 -0.92 0.00 0.00 57.85 57.80 1j5i n ARG 71 Cb 0.36 -2.28 -0.06 0.00 0.45 0.00 0.00 32.46 30.94 1j5i n ARG 71 CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 1j5i s SER 72 N -3.88 6.97 0.00 6.15 0.01 -1.26 -0.39 113.70 121.30 1j5i s SER 72 Ca -0.05 1.15 0.00 0.00 1.31 0.00 0.00 55.95 58.37 1j5i s SER 72 Cb 0.24 -2.35 0.00 0.00 0.21 0.00 0.00 66.02 64.12 1j5i s SER 72 CO 0.81 0.15 0.00 2.22 0.41 0.00 0.00 173.24 176.83 1j5i n PHE 73 N 2.48 0.00 -3.12 2.43 1.16 0.26 -4.90 117.46 115.78 1j5i n PHE 73 Ca -0.08 0.00 -0.44 0.00 -1.87 0.00 0.00 57.45 55.06 1j5i n PHE 73 Cb 0.51 0.00 -0.06 0.00 -1.61 0.00 0.00 39.48 38.32 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 -2.00 3.15 0.67 3.97 2.12 -1.24 0.49 118.70 125.86 1j5i s GLU 74 Ca 0.00 -0.81 -0.11 0.00 0.36 0.00 0.00 54.97 54.41 1j5i s GLU 74 Cb 0.00 -4.09 -0.01 0.00 0.26 0.00 0.00 34.13 30.29 1j5i s GLU 74 CO 0.00 -1.25 1.06 0.20 -0.54 0.00 0.00 175.26 174.72 1j5i s GLY 75 N 2.71 1.65 -0.05 -1.50 0.00 0.12 -3.25 107.32 107.00 1j5i s GLY 75 Ca 0.17 -0.14 -0.02 0.00 0.00 0.00 0.00 44.72 44.73 1j5i s GLY 75 CO 0.13 0.18 0.10 -1.36 0.00 0.00 0.00 173.10 172.14 1j5i s PHE 76 N -3.20 -0.09 0.51 1.90 0.08 0.16 0.04 117.98 117.37 1j5i s PHE 76 Ca 0.57 0.33 -0.21 0.00 0.12 0.00 0.00 56.93 57.73 1j5i s PHE 76 Cb -0.12 -0.11 -0.07 0.00 -0.57 0.00 0.00 43.02 42.15 1j5i s PHE 76 CO 0.54 -0.12 1.14 -0.51 -0.10 0.00 0.00 175.22 176.17 1j5i s LEU 77 N 0.94 3.86 0.36 -0.37 1.43 0.76 -0.95 118.68 124.71 1j5i s LEU 77 Ca -0.07 2.23 0.19 0.00 -1.03 0.00 0.00 54.13 55.45 1j5i s LEU 77 Cb -0.10 -4.44 0.46 0.00 0.03 0.00 0.00 46.19 42.14 1j5i s LEU 77 CO -0.04 -1.09 1.63 2.19 0.23 0.00 0.00 176.35 179.27 1j5i h PHE 78 N 1.55 0.00 -0.25 0.29 -0.00 -1.55 -3.24 116.94 113.75 1j5i h PHE 78 Ca -0.50 0.00 0.05 0.00 -0.00 0.00 0.00 57.97 57.52 1j5i h PHE 78 Cb 1.26 0.00 -0.05 0.00 -0.00 0.00 0.00 35.95 37.16 1j5i h PHE 78 CO 0.52 0.34 -0.08 0.22 -0.00 0.00 0.00 178.31 179.32 1j5i h ASP 79 N 0.00 -0.27 0.00 -0.68 3.58 -1.92 -3.46 116.42 113.67 1j5i h ASP 79 Ca -0.00 0.08 0.00 0.00 0.42 0.00 0.00 57.03 57.53 1j5i h ASP 79 Cb 1.07 0.17 0.00 0.00 1.72 0.00 0.00 39.33 42.29 1j5i h ASP 79 CO 0.04 -0.10 0.00 0.61 -2.88 0.00 0.00 179.24 176.91 1j5i n GLY 80 N -1.24 0.27 3.88 -0.78 0.00 -1.22 -5.15 105.19 100.95 1j5i n GLY 80 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 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 4.84 0.04 2.61 -1.32 -1.26 -4.91 115.64 115.64 1j5i s THR 81 Ca 0.00 0.50 0.01 0.00 -1.21 0.00 0.00 61.69 60.99 1j5i s THR 81 Cb 0.00 -3.73 -0.04 0.00 -1.51 0.00 0.00 72.50 67.22 1j5i s THR 81 CO 0.00 -0.48 0.09 0.00 -2.21 0.00 0.00 174.62 172.02 1j5i s ARG 82 N -3.79 3.00 0.00 7.08 1.70 -1.26 -0.17 118.95 125.51 1j5i s ARG 82 Ca 0.50 -0.59 0.00 0.00 -0.47 0.00 0.00 55.73 55.17 1j5i s ARG 82 Cb -0.10 -2.81 0.00 0.00 -0.57 0.00 0.00 34.95 31.47 1j5i s ARG 82 CO 0.31 0.60 0.00 1.87 -1.08 0.00 0.00 175.30 177.00 1j5i n TRP 83 N 0.74 0.00 0.00 5.89 -0.00 -0.51 -4.78 117.44 118.77 1j5i n TRP 83 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.40 1j5i n TRP 83 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.83 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 3.35 2.14 5.00 5.87 0.00 0.11 -4.77 105.19 116.89 1j5i n GLY 84 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.41 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 0.11 114.28 114.70 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 1.33 -0.64 0.00 0.00 175.07 175.76 1j5i n VAL 86 N 0.00 0.00 -3.49 12.58 0.24 0.18 -4.86 118.33 122.98 1j5i n VAL 86 Ca 0.00 0.00 -0.21 0.00 -2.04 0.00 0.00 64.34 62.09 1j5i n VAL 86 Cb 0.00 0.00 -0.13 0.00 -1.47 0.00 0.00 33.84 32.24 1j5i n VAL 86 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1j5i s ASP 87 N -0.50 1.92 -0.53 -1.34 3.68 -1.26 -0.57 116.67 118.07 1j5i s ASP 87 Ca 0.00 -0.58 -0.04 0.00 2.13 0.00 0.00 52.55 54.06 1j5i s ASP 87 Cb 0.00 0.22 0.08 0.00 -1.45 0.00 0.00 42.92 41.78 1j5i s ASP 87 CO 0.00 -0.36 2.71 0.00 0.13 0.00 0.00 175.17 177.64 1j5i h THR 89 N 2.03 0.00 0.00 0.00 2.02 -1.96 -3.37 112.91 111.64 1j5i h THR 89 Ca 0.42 -0.61 -0.13 0.00 0.77 0.00 0.00 66.41 66.86 1j5i h THR 89 Cb 0.66 1.14 -0.02 0.00 -1.74 0.00 0.00 68.15 68.19 1j5i h THR 89 CO 0.94 0.00 -0.79 0.74 0.37 0.00 0.00 175.52 176.78 1j5i h THR 90 N 0.00 0.93 -3.29 3.16 2.02 -1.99 -3.46 112.91 110.28 1j5i h THR 90 Ca 0.00 -1.98 -0.56 0.00 0.77 0.00 0.00 66.41 64.64 1j5i h THR 90 Cb 0.80 2.03 -0.04 0.00 -1.74 0.00 0.00 68.15 69.21 1j5i h THR 90 CO 0.00 0.31 -0.09 0.00 0.37 0.00 0.00 175.52 176.12 1j5i s ALA 91 N -2.39 3.59 -0.41 6.16 0.00 -1.26 -5.02 121.76 122.42 1j5i s ALA 91 Ca -0.23 -0.12 -0.29 0.00 0.00 0.00 0.00 51.96 51.32 1j5i s ALA 91 Cb 0.03 -2.52 0.02 0.00 0.00 0.00 0.00 23.12 20.64 1j5i s ALA 91 CO 0.52 0.45 1.26 0.00 0.00 0.00 0.00 175.76 178.00 1j5i s ALA 92 N -1.40 3.18 -0.17 0.00 0.00 -1.26 -4.85 121.76 117.25 1j5i s ALA 92 Ca 0.36 -0.23 -0.25 0.00 0.00 0.00 0.00 51.96 51.83 1j5i s ALA 92 Cb -0.16 -3.88 -0.02 0.00 0.00 0.00 0.00 23.12 19.07 1j5i s ALA 92 CO 0.19 -2.17 0.81 0.00 0.00 0.00 0.00 175.76 174.59 1j5i s GLN 94 N 2.16 3.97 -0.46 0.00 -0.21 -0.54 -1.16 119.66 123.42 1j5i s GLN 94 Ca 0.37 -0.30 -0.22 0.00 0.02 0.00 0.00 55.36 55.23 1j5i s GLN 94 Cb -0.16 -3.64 0.03 0.00 1.00 0.00 0.00 33.01 30.24 1j5i s GLN 94 CO 0.12 -0.14 0.76 0.08 -2.12 0.00 0.00 175.29 173.99 1j5i s VAL 95 N 1.65 4.67 0.34 1.09 1.01 0.41 -0.65 120.40 128.92 1j5i s VAL 95 Ca 0.07 0.29 -0.17 0.00 0.00 0.00 0.00 61.98 62.18 1j5i s VAL 95 Cb -0.16 -4.32 0.06 0.00 0.00 0.00 0.00 36.38 31.96 1j5i s VAL 95 CO 0.10 -0.74 0.84 -0.83 0.00 0.00 0.00 175.10 174.47 1j5i s GLY 96 N 2.21 0.31 0.05 4.51 0.00 -0.24 -0.13 107.32 114.04 1j5i s GLY 96 Ca 0.28 -0.66 0.03 0.00 0.00 0.00 0.00 44.72 44.36 1j5i s GLY 96 CO 0.21 0.25 0.04 0.48 0.00 0.00 0.00 173.10 174.09 1j5i s LEU 97 N -3.14 3.68 0.06 0.66 -0.00 -1.26 -0.11 118.68 118.57 1j5i s LEU 97 Ca 0.17 -0.02 0.01 0.00 -0.00 0.00 0.00 54.13 54.29 1j5i s LEU 97 Cb -0.05 -2.28 -0.04 0.00 -0.00 0.00 0.00 46.19 43.82 1j5i s LEU 97 CO 0.10 0.21 0.12 -0.94 -0.00 0.00 0.00 176.35 175.84 1j5i s SER 98 N -2.08 5.80 0.61 1.48 1.04 0.11 -4.49 113.70 116.17 1j5i s SER 98 Ca 0.25 0.10 -0.07 0.00 0.48 0.00 0.00 55.95 56.71 1j5i s SER 98 Cb -0.12 -1.65 0.00 0.00 0.10 0.00 0.00 66.02 64.36 1j5i s SER 98 CO 0.17 0.19 0.94 -1.81 0.98 0.00 0.00 173.24 173.72 1j5i s ASP 99 N -2.29 5.64 -0.12 7.02 1.11 -1.14 -1.84 116.67 125.05 1j5i s ASP 99 Ca 0.30 0.86 0.04 0.00 0.18 0.00 0.00 52.55 53.93 1j5i s ASP 99 Cb -0.12 -1.83 0.31 0.00 1.07 0.00 0.00 42.92 42.35 1j5i s ASP 99 CO 0.22 -1.08 1.13 0.00 1.18 0.00 0.00 175.17 176.62 1j5i n ALA 100 N -2.66 3.30 -0.10 5.23 0.00 -1.26 -3.59 120.51 121.42 1j5i n ALA 100 Ca 0.05 -0.91 -0.14 0.00 0.00 0.00 0.00 53.44 52.44 1j5i n ALA 100 Cb 0.57 -1.10 -0.09 0.00 0.00 0.00 0.00 19.45 18.84 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 0.12 1.59 0.00 0.00 0.00 -1.26 -5.03 120.51 115.92 1j5i n ALA 101 Ca 0.16 -0.83 0.00 0.00 0.00 0.00 0.00 53.44 52.77 1j5i n ALA 101 Cb 0.75 0.07 0.00 0.00 0.00 0.00 0.00 19.45 20.27 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 2.51 0.81 3.10 0.00 0.00 -1.24 -5.16 105.19 105.21 1j5i n GLY 102 Ca -0.35 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.56 0.17 -0.37 1.61 0.02 -1.26 -5.06 114.94 109.48 1j5i s ASN 103 Ca 0.00 -0.49 0.12 0.00 -1.02 0.00 0.00 52.86 51.47 1j5i s ASN 103 Cb 0.00 0.21 0.35 0.00 0.02 0.00 0.00 41.25 41.83 1j5i s ASN 103 CO 0.00 -0.47 0.74 0.61 0.02 0.00 0.00 177.10 178.00 1j5i n GLY 104 N 0.93 3.59 0.21 0.66 0.00 -1.26 -2.88 105.19 106.44 1j5i n GLY 104 Ca -0.20 -1.69 0.10 0.00 0.00 0.00 0.00 46.02 44.23 1j5i n GLY 104 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1j5i h PRO 105 N 3.00 0.00 -6.72 1.61 0.13 -1.99 -3.44 132.00 124.59 1j5i h PRO 105 Ca 0.10 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.73 1j5i h PRO 105 Cb 0.97 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.09 1j5i h PRO 105 CO 0.50 0.20 0.06 -1.21 -0.23 0.00 0.00 178.00 177.32 1j5i s GLU 106 N -3.41 3.87 0.00 0.86 8.01 -1.26 -5.02 118.70 121.75 1j5i s GLU 106 Ca 0.03 0.51 0.00 0.00 0.01 0.00 0.00 54.97 55.51 1j5i s GLU 106 Cb 0.08 -2.45 0.00 0.00 -4.31 0.00 0.00 34.13 27.45 1j5i s GLU 106 CO 0.65 0.11 0.00 0.41 0.01 0.00 0.00 175.26 176.44 1j5i n GLY 107 N -0.72 3.10 3.73 -1.39 0.00 -1.26 -4.47 105.19 104.18 1j5i n GLY 107 Ca 0.02 -0.20 -0.41 0.00 0.00 0.00 0.00 46.02 45.44 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 0.00 4.73 -0.76 1.61 0.11 0.81 -4.52 120.40 122.39 1j5i s VAL 108 Ca 0.00 1.84 -0.26 0.00 -2.93 0.00 0.00 61.98 60.63 1j5i s VAL 108 Cb 0.00 -4.21 -0.09 0.00 -1.53 0.00 0.00 36.38 30.55 1j5i s VAL 108 CO 0.00 0.29 2.20 0.00 -3.33 0.00 0.00 175.10 174.26 1j5i s ALA 109 N 0.30 1.29 0.39 1.54 0.00 -1.26 -0.45 121.76 123.58 1j5i s ALA 109 Ca 0.44 -0.89 -0.24 0.00 0.00 0.00 0.00 51.96 51.27 1j5i s ALA 109 Cb -0.21 -4.51 -0.09 0.00 0.00 0.00 0.00 23.12 18.31 1j5i s ALA 109 CO 0.26 -5.15 1.02 -1.50 0.00 0.00 0.00 175.76 170.38 1j5i s ILE 110 N 12.33 3.90 0.00 0.00 1.10 -0.31 -4.60 121.20 133.63 1j5i s ILE 110 Ca 0.83 1.42 0.00 0.00 -0.51 0.00 0.00 60.65 62.40 1j5i s ILE 110 Cb -0.11 -3.72 0.00 0.00 0.15 0.00 0.00 42.46 38.78 1j5i s ILE 110 CO 0.09 -0.02 0.00 -1.20 -2.11 0.00 0.00 174.94 171.70 1j5i n SER 111 N -0.08 0.00 -3.91 4.50 7.64 0.49 -4.29 113.62 117.97 1j5i n SER 111 Ca 0.05 0.00 -0.25 0.00 1.01 0.00 0.00 58.87 59.68 1j5i n SER 111 Cb 0.50 0.00 0.05 0.00 -1.01 0.00 0.00 64.21 63.75 1j5i n SER 111 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1j5i n PHE 112 N 0.00 -1.41 1.45 1.43 3.72 -1.21 0.05 117.46 121.49 1j5i n PHE 112 Ca 0.00 0.55 0.14 0.00 -0.05 0.00 0.00 57.45 58.09 1j5i n PHE 112 Cb 0.00 -1.40 0.48 0.00 -0.94 0.00 0.00 39.48 37.62 1j5i n PHE 112 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98