#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 -2.65 -1.71 0.00 0.00 -1.26 -4.96 120.51 109.94 1j5i n ALA 2 Ca 0.00 0.26 -0.33 0.00 0.00 0.00 0.00 53.44 53.37 1j5i n ALA 2 Cb 0.00 -1.98 -0.00 0.00 0.00 0.00 0.00 19.45 17.47 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 -3.14 3.46 2.20 0.00 0.04 -1.26 -4.74 135.00 131.56 1j5i s PRO 3 Ca 0.08 1.20 0.00 0.00 0.04 0.00 0.00 61.00 62.32 1j5i s PRO 3 Cb -0.02 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.47 1j5i s PRO 3 CO 0.78 -0.70 0.00 0.25 0.04 0.00 0.00 177.00 177.37 1j5i n THR 4 N -1.82 0.00 -2.48 1.26 -2.24 0.16 -4.44 114.28 104.72 1j5i n THR 4 Ca 0.09 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.44 1j5i n THR 4 Cb 0.53 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.73 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 -1.61 3.40 0.36 6.98 0.00 -1.23 -2.80 121.76 126.86 1j5i s ALA 5 Ca 0.00 0.71 -0.04 0.00 0.00 0.00 0.00 51.96 52.64 1j5i s ALA 5 Cb 0.00 -3.46 0.01 0.00 0.00 0.00 0.00 23.12 19.67 1j5i s ALA 5 CO 0.00 -0.54 0.52 -0.08 0.00 0.00 0.00 175.76 175.66 1j5i s THR 6 N 1.53 0.00 -0.15 0.00 -1.32 -0.29 -4.34 115.64 111.07 1j5i s THR 6 Ca 0.57 -1.53 -0.00 0.00 -1.21 0.00 0.00 61.69 59.52 1j5i s THR 6 Cb -0.26 -2.70 -0.01 0.00 -1.51 0.00 0.00 72.50 68.02 1j5i s THR 6 CO 0.26 0.00 -0.13 -0.69 -2.21 0.00 0.00 174.62 171.85 1j5i s VAL 7 N -2.88 2.96 0.00 5.08 1.01 -1.26 -2.81 120.40 122.50 1j5i s VAL 7 Ca 0.29 -0.68 -0.01 0.00 0.00 0.00 0.00 61.98 61.58 1j5i s VAL 7 Cb -0.01 -2.26 -0.00 0.00 0.00 0.00 0.00 36.38 34.11 1j5i s VAL 7 CO 0.20 0.51 0.80 0.41 0.00 0.00 0.00 175.10 177.02 1j5i n THR 8 N 3.84 -0.02 -0.07 3.92 -1.04 -0.72 -4.52 114.28 115.68 1j5i n THR 8 Ca -0.18 1.20 0.00 0.00 -2.04 0.00 0.00 64.05 63.02 1j5i n THR 8 Cb 0.52 -1.59 0.00 0.00 -1.82 0.00 0.00 70.33 67.44 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 -2.85 0.86 0.00 -2.82 -0.04 -1.26 -5.06 135.00 123.83 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 0.45 -0.04 0.00 0.00 175.50 175.91 1j5i n SER 10 N -0.27 0.06 -3.97 3.54 2.88 -1.26 -4.95 113.62 109.65 1j5i n SER 10 Ca 0.00 0.00 -0.34 0.00 -1.33 0.00 0.00 58.87 57.20 1j5i n SER 10 Cb 0.00 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.36 1j5i n SER 10 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1j5i n SER 11 N -2.05 1.57 0.00 -3.46 2.88 -1.26 -0.99 113.62 110.32 1j5i n SER 11 Ca 0.00 -2.55 0.01 0.00 -1.33 0.00 0.00 58.87 55.00 1j5i n SER 11 Cb 0.02 -1.11 0.05 0.00 -0.75 0.00 0.00 64.21 62.42 1j5i n SER 11 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1j5i n GLY 12 N 5.36 -0.52 2.08 0.46 0.00 0.23 -3.34 105.19 109.46 1j5i n GLY 12 Ca 0.45 -0.01 -0.16 0.00 0.00 0.00 0.00 46.02 46.31 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 -1.45 5.48 -3.99 0.99 4.77 -0.52 -4.14 117.00 118.15 1j5i n LEU 13 Ca 0.01 -3.21 -0.29 0.00 -0.03 0.00 0.00 56.01 52.49 1j5i n LEU 13 Cb 0.02 -1.36 -0.17 0.00 -2.33 0.00 0.00 43.42 39.59 1j5i n LEU 13 CO 0.02 1.62 -0.47 -0.55 -1.33 0.00 0.00 177.39 176.68 1j5i s SER 14 N 2.11 2.49 -0.81 -1.43 0.15 -1.21 -5.03 113.70 109.97 1j5i s SER 14 Ca 0.63 -0.42 -0.15 0.00 0.70 0.00 0.00 55.95 56.71 1j5i s SER 14 Cb 0.28 -1.06 -0.23 0.00 -1.71 0.00 0.00 66.02 63.30 1j5i s SER 14 CO -0.01 -0.07 1.93 -0.90 1.20 0.00 0.00 173.24 175.39 1j5i n ASP 15 N 4.76 -0.55 -3.78 5.45 3.85 -1.26 -0.90 116.55 124.11 1j5i n ASP 15 Ca -0.16 -0.18 -0.25 0.00 -0.71 0.00 0.00 54.79 53.50 1j5i n ASP 15 Cb 0.50 -0.57 0.00 0.00 -1.35 0.00 0.00 41.12 39.70 1j5i n ASP 15 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1j5i n GLY 16 N 4.79 -1.28 3.65 6.12 0.00 -0.50 -4.82 105.19 113.15 1j5i n GLY 16 Ca 0.54 0.59 -0.43 0.00 0.00 0.00 0.00 46.02 46.72 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 -2.98 4.36 -0.37 2.61 2.01 0.35 -4.43 115.64 117.19 1j5i s THR 17 Ca 0.01 1.59 -0.25 0.00 0.31 0.00 0.00 61.69 63.35 1j5i s THR 17 Cb -0.01 -4.20 0.01 0.00 0.01 0.00 0.00 72.50 68.32 1j5i s THR 17 CO 0.88 -0.33 0.86 -0.69 -0.69 0.00 0.00 174.62 174.65 1j5i s VAL 18 N 3.76 4.65 0.07 3.82 1.01 -1.26 0.25 120.40 132.69 1j5i s VAL 18 Ca 0.51 1.04 0.01 0.00 0.00 0.00 0.00 61.98 63.54 1j5i s VAL 18 Cb -0.17 -4.28 -0.00 0.00 0.00 0.00 0.00 36.38 31.93 1j5i s VAL 18 CO 0.16 -0.50 0.04 1.33 0.00 0.00 0.00 175.10 176.13 1j5i n VAL 19 N 5.90 0.00 -4.77 2.92 0.24 -0.27 -4.98 118.33 117.37 1j5i n VAL 19 Ca 0.05 -0.42 -0.33 0.00 -2.04 0.00 0.00 64.34 61.60 1j5i n VAL 19 Cb 0.48 0.18 -0.13 0.00 -1.47 0.00 0.00 33.84 32.89 1j5i n VAL 19 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1j5i s LYS 20 N -2.26 3.03 -0.42 7.34 2.20 -1.26 -1.72 119.74 126.64 1j5i s LYS 20 Ca 0.05 -0.66 -0.06 0.00 -0.36 0.00 0.00 55.97 54.94 1j5i s LYS 20 Cb 0.00 -2.56 0.10 0.00 -1.51 0.00 0.00 37.83 33.86 1j5i s LYS 20 CO 0.04 0.41 0.24 0.08 -0.36 0.00 0.00 175.35 175.76 1j5i s VAL 21 N -0.17 3.78 -0.02 4.02 1.01 0.26 -1.75 120.40 127.53 1j5i s VAL 21 Ca 0.00 -1.75 -0.22 0.00 0.00 0.00 0.00 61.98 60.01 1j5i s VAL 21 Cb -0.13 -3.45 -0.05 0.00 0.00 0.00 0.00 36.38 32.75 1j5i s VAL 21 CO 0.03 -0.62 0.66 0.00 0.00 0.00 0.00 175.10 175.17 1j5i s ALA 22 N 1.29 3.42 -0.65 5.51 0.00 -1.12 -0.80 121.76 129.40 1j5i s ALA 22 Ca 0.05 0.10 0.05 0.00 0.00 0.00 0.00 51.96 52.17 1j5i s ALA 22 Cb -0.24 -2.85 0.19 0.00 0.00 0.00 0.00 23.12 20.22 1j5i s ALA 22 CO -0.01 0.06 0.54 0.41 0.00 0.00 0.00 175.76 176.76 1j5i n GLY 23 N 2.67 3.96 3.67 0.00 0.00 0.21 -1.13 105.19 114.57 1j5i n GLY 23 Ca -0.04 -2.45 -0.40 0.00 0.00 0.00 0.00 46.02 43.13 1j5i n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j5i s ALA 24 N -1.54 3.51 0.00 4.61 0.00 -1.12 0.31 121.76 127.53 1j5i s ALA 24 Ca 0.30 -0.20 0.00 0.00 0.00 0.00 0.00 51.96 52.06 1j5i s ALA 24 Cb 0.02 -2.94 0.00 0.00 0.00 0.00 0.00 23.12 20.20 1j5i s ALA 24 CO -0.13 -0.43 0.00 0.41 0.00 0.00 0.00 175.76 175.60 1j5i n GLY 25 N 3.63 0.70 0.00 0.00 0.00 0.46 -0.67 105.19 109.30 1j5i n GLY 25 Ca -0.02 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.69 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 0.00 0.00 -4.57 0.99 -0.00 -0.68 -4.84 117.00 107.89 1j5i n LEU 26 Ca 0.00 0.00 -0.37 0.00 -0.00 0.00 0.00 56.01 55.64 1j5i n LEU 26 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.39 1j5i n LEU 26 CO 0.00 0.00 1.64 -1.10 -0.00 0.00 0.00 177.39 177.93 1j5i s GLN 27 N 1.04 3.32 -0.16 1.96 -0.21 -1.26 -4.73 119.66 119.62 1j5i s GLN 27 Ca 0.00 -1.31 -0.29 0.00 0.02 0.00 0.00 55.36 53.78 1j5i s GLN 27 Cb 0.00 -5.35 -0.04 0.00 1.00 0.00 0.00 33.01 28.62 1j5i s GLN 27 CO 0.00 -2.81 1.78 0.00 -2.12 0.00 0.00 175.29 172.14 1j5i s ALA 28 N 6.87 3.27 0.00 6.09 0.00 -1.26 -1.32 121.76 135.40 1j5i s ALA 28 Ca 0.58 0.72 0.00 0.00 0.00 0.00 0.00 51.96 53.25 1j5i s ALA 28 Cb 0.00 -3.88 0.00 0.00 0.00 0.00 0.00 23.12 19.24 1j5i s ALA 28 CO 0.03 -1.97 0.00 0.41 0.00 0.00 0.00 175.76 174.23 1j5i n GLY 29 N 4.77 3.22 3.12 0.00 0.00 -1.05 -4.85 105.19 110.41 1j5i n GLY 29 Ca 0.21 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.04 1j5i n GLY 29 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1j5i n THR 30 N -1.44 0.00 -3.79 2.61 -2.24 -0.43 -4.90 114.28 104.09 1j5i n THR 30 Ca 0.00 -1.22 -0.11 0.00 -2.27 0.00 0.00 64.05 60.45 1j5i n THR 30 Cb 0.00 -1.05 -0.08 0.00 -2.10 0.00 0.00 70.33 67.10 1j5i n THR 30 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1j5i s ALA 31 N -3.19 -0.57 0.00 6.98 0.00 -1.26 -1.90 121.76 121.82 1j5i s ALA 31 Ca 0.54 -0.09 0.00 0.00 0.00 0.00 0.00 51.96 52.41 1j5i s ALA 31 Cb -0.03 0.30 0.00 0.00 0.00 0.00 0.00 23.12 23.40 1j5i s ALA 31 CO 0.36 -0.39 0.00 2.48 0.00 0.00 0.00 175.76 178.21 1j5i n TYR 32 N 0.62 -0.47 -3.80 0.00 0.18 0.90 -4.53 117.16 110.07 1j5i n TYR 32 Ca -0.19 0.00 -0.37 0.00 1.88 0.00 0.00 57.90 59.23 1j5i n TYR 32 Cb 0.59 0.00 -0.13 0.00 -0.38 0.00 0.00 39.34 39.42 1j5i n TYR 32 CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 1j5i s ASP 33 N -0.76 4.94 0.02 9.48 1.11 0.21 0.05 116.67 131.73 1j5i s ASP 33 Ca 0.00 -0.56 -0.30 0.00 0.18 0.00 0.00 52.55 51.87 1j5i s ASP 33 Cb 0.00 -1.85 -0.04 0.00 1.07 0.00 0.00 42.92 42.10 1j5i s ASP 33 CO 0.00 -0.13 1.01 -0.69 1.18 0.00 0.00 175.17 176.54 1j5i s VAL 34 N 1.51 4.73 0.00 -1.27 1.01 -0.07 0.02 120.40 126.33 1j5i s VAL 34 Ca 0.04 1.99 0.00 0.00 0.00 0.00 0.00 61.98 64.00 1j5i s VAL 34 Cb -0.16 -4.27 0.00 0.00 0.00 0.00 0.00 36.38 31.95 1j5i s VAL 34 CO 0.01 0.17 0.00 0.61 0.00 0.00 0.00 175.10 175.89 1j5i n GLY 35 N 2.87 0.56 3.38 4.51 0.00 0.10 -0.29 105.19 116.32 1j5i n GLY 35 Ca 0.06 -0.71 -0.45 0.00 0.00 0.00 0.00 46.02 44.92 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 3.04 0.16 1.61 -0.21 -1.26 -0.83 119.66 120.17 1j5i s GLN 36 Ca 0.00 -1.32 0.06 0.00 0.02 0.00 0.00 55.36 54.12 1j5i s GLN 36 Cb 0.00 -4.23 -0.04 0.00 1.00 0.00 0.00 33.01 29.74 1j5i s GLN 36 CO 0.00 -1.38 0.06 0.00 -2.12 0.00 0.00 175.29 171.85 1j5i n ALA 38 N -0.13 0.00 -2.39 0.00 0.00 -0.60 -1.51 120.51 115.88 1j5i n ALA 38 Ca -0.09 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.92 1j5i n ALA 38 Cb 0.54 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 2.56 -0.23 0.00 1.48 -1.26 0.30 118.94 119.79 1j5i s TRP 39 Ca 0.00 0.78 -0.12 0.00 -1.06 0.00 0.00 56.10 55.69 1j5i s TRP 39 Cb 0.00 -4.10 -0.10 0.00 -1.16 0.00 0.00 33.47 28.11 1j5i s TRP 39 CO 0.00 -1.83 -0.31 1.55 -4.06 0.00 0.00 176.95 172.30 1j5i n VAL 40 N 6.59 1.34 -2.53 -0.66 3.14 -0.46 -4.76 118.33 120.99 1j5i n VAL 40 Ca 0.15 -0.29 -0.22 0.00 -2.96 0.00 0.00 64.34 61.02 1j5i n VAL 40 Cb 0.47 -1.87 0.05 0.00 -1.06 0.00 0.00 33.84 31.43 1j5i n VAL 40 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1j5i s ASP 41 N -7.07 5.14 -0.59 6.55 2.15 -1.14 -4.85 116.67 116.85 1j5i s ASP 41 Ca -0.33 0.09 -0.14 0.00 0.43 0.00 0.00 52.55 52.59 1j5i s ASP 41 Cb 0.12 -0.90 -0.15 0.00 -0.30 0.00 0.00 42.92 41.69 1j5i s ASP 41 CO 0.42 -1.27 1.51 0.41 -0.17 0.00 0.00 175.17 176.06 1j5i n THR 42 N -2.50 0.00 -2.08 1.71 -1.04 -1.26 0.22 114.28 109.34 1j5i n THR 42 Ca 0.08 -0.09 -0.00 0.00 -2.04 0.00 0.00 64.05 62.00 1j5i n THR 42 Cb 0.60 -0.21 -0.00 0.00 -1.82 0.00 0.00 70.33 68.90 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 3.69 -0.35 3.56 3.41 0.00 -1.26 -4.83 105.19 109.40 1j5i n GLY 43 Ca 0.40 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.73 5.24 -0.38 1.61 1.01 0.59 -5.00 120.40 121.74 1j5i s VAL 44 Ca 0.00 0.01 -0.28 0.00 0.00 0.00 0.00 61.98 61.71 1j5i s VAL 44 Cb 0.00 -3.57 -0.02 0.00 0.00 0.00 0.00 36.38 32.79 1j5i s VAL 44 CO 0.00 0.16 1.81 -0.22 0.00 0.00 0.00 175.10 176.85 1j5i s LEU 45 N 1.74 3.47 -0.04 3.92 0.20 -1.26 -1.36 118.68 125.35 1j5i s LEU 45 Ca 0.07 1.12 0.07 0.00 0.69 0.00 0.00 54.13 56.07 1j5i s LEU 45 Cb -0.16 -3.33 -0.01 0.00 -0.43 0.00 0.00 46.19 42.26 1j5i s LEU 45 CO 0.10 -1.83 -0.24 0.00 -0.29 0.00 0.00 176.35 174.09 1j5i s ALA 46 N 7.31 2.02 0.15 5.97 0.00 0.15 0.73 121.76 138.08 1j5i s ALA 46 Ca 0.77 -1.01 0.03 0.00 0.00 0.00 0.00 51.96 51.75 1j5i s ALA 46 Cb -0.20 -0.57 -0.04 0.00 0.00 0.00 0.00 23.12 22.31 1j5i s ALA 46 CO 0.31 0.44 0.25 0.00 0.00 0.00 0.00 175.76 176.76 1j5i s ASN 48 N -3.17 5.14 0.28 0.00 0.02 -0.92 0.29 114.94 116.58 1j5i s ASN 48 Ca 0.34 1.50 0.26 0.00 -1.02 0.00 0.00 52.86 53.93 1j5i s ASN 48 Cb -0.11 -2.34 0.90 0.00 0.02 0.00 0.00 41.25 39.72 1j5i s ASN 48 CO 0.27 -1.58 1.76 1.55 0.02 0.00 0.00 177.10 179.12 1j5i h PRO 49 N -0.81 0.00 -0.38 -0.60 0.13 -1.90 -2.59 132.00 125.84 1j5i h PRO 49 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1j5i h PRO 49 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1j5i h PRO 49 CO 0.58 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.35 1j5i n ALA 50 N -1.83 3.09 1.33 -0.56 0.00 -1.26 -4.33 120.51 116.94 1j5i n ALA 50 Ca 0.04 -2.02 0.09 0.00 0.00 0.00 0.00 53.44 51.55 1j5i n ALA 50 Cb 0.34 -0.80 0.36 0.00 0.00 0.00 0.00 19.45 19.36 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 0.02 1.38 -4.37 0.00 -0.08 -0.98 -4.61 116.55 107.91 1j5i n ASP 51 Ca 0.22 -1.71 -0.46 0.00 -1.51 0.00 0.00 54.79 51.33 1j5i n ASP 51 Cb 0.90 -0.10 -0.01 0.00 2.34 0.00 0.00 41.12 44.24 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 -1.79 3.72 -0.44 -0.67 0.08 -1.22 -2.63 117.98 115.03 1j5i s PHE 52 Ca 0.29 -2.05 0.06 0.00 0.12 0.00 0.00 56.93 55.36 1j5i s PHE 52 Cb 0.15 -3.97 0.21 0.00 -0.57 0.00 0.00 43.02 38.84 1j5i s PHE 52 CO 0.23 -1.13 0.46 0.45 -0.10 0.00 0.00 175.22 175.14 1j5i n SER 53 N 4.39 0.34 -4.62 1.36 2.88 0.61 -4.94 113.62 113.63 1j5i n SER 53 Ca 0.21 -2.65 -0.59 0.00 -1.33 0.00 0.00 58.87 54.50 1j5i n SER 53 Cb 0.45 -0.61 -0.08 0.00 -0.75 0.00 0.00 64.21 63.22 1j5i n SER 53 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1j5i n SER 54 N 1.97 1.09 -3.95 -3.46 3.41 -1.26 -0.89 113.62 110.53 1j5i n SER 54 Ca 0.25 1.14 -0.09 0.00 -0.26 0.00 0.00 58.87 59.91 1j5i n SER 54 Cb 0.49 -1.01 -0.07 0.00 -0.26 0.00 0.00 64.21 63.36 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 1.48 0.07 0.13 -3.33 1.01 0.11 -4.81 120.40 115.06 1j5i s VAL 55 Ca 0.94 -1.35 0.03 0.00 0.00 0.00 0.00 61.98 61.60 1j5i s VAL 55 Cb -1.22 -1.79 -0.04 0.00 0.00 0.00 0.00 36.38 33.33 1j5i s VAL 55 CO 0.62 -0.32 -0.08 0.28 0.00 0.00 0.00 175.10 175.60 1j5i s THR 56 N -3.96 0.95 -0.10 3.92 -1.32 -1.26 -0.07 115.64 113.80 1j5i s THR 56 Ca 0.16 -2.01 -0.03 0.00 -1.21 0.00 0.00 61.69 58.60 1j5i s THR 56 Cb 0.03 -1.82 -0.03 0.00 -1.51 0.00 0.00 72.50 69.17 1j5i s THR 56 CO -0.01 -0.76 0.02 0.00 -2.21 0.00 0.00 174.62 171.66 1j5i s ALA 57 N -3.46 3.35 0.70 11.08 0.00 -0.80 -4.46 121.76 128.16 1j5i s ALA 57 Ca 0.16 -0.78 -0.14 0.00 0.00 0.00 0.00 51.96 51.20 1j5i s ALA 57 Cb 0.04 -1.59 0.02 0.00 0.00 0.00 0.00 23.12 21.59 1j5i s ALA 57 CO -0.01 0.52 1.13 -0.51 0.00 0.00 0.00 175.76 176.89 1j5i s ASP 58 N -0.68 4.75 0.49 0.00 1.01 0.31 -2.53 116.67 120.02 1j5i s ASP 58 Ca 0.11 2.06 0.42 0.00 0.71 0.00 0.00 52.55 55.85 1j5i s ASP 58 Cb -0.12 -2.56 1.55 0.00 1.01 0.00 0.00 42.92 42.81 1j5i s ASP 58 CO 0.02 -1.87 1.46 0.00 0.21 0.00 0.00 175.17 174.99 1j5i n ALA 59 N -2.69 1.62 -0.42 5.23 0.00 -1.26 0.39 120.51 123.38 1j5i n ALA 59 Ca 0.11 0.67 -0.13 0.00 0.00 0.00 0.00 53.44 54.10 1j5i n ALA 59 Cb 0.52 -1.04 0.05 0.00 0.00 0.00 0.00 19.45 18.98 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 -4.03 4.93 -4.22 0.00 5.15 -1.26 -4.55 115.26 111.28 1j5i n ASN 60 Ca 0.40 -2.84 -0.36 0.00 -0.60 0.00 0.00 54.58 51.18 1j5i n ASN 60 Cb 1.76 -0.87 -0.08 0.00 -0.53 0.00 0.00 39.78 40.06 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 0.17 -0.29 3.17 8.20 0.00 1.27 -4.18 105.19 113.52 1j5i n GLY 61 Ca 0.26 0.09 -0.36 0.00 0.00 0.00 0.00 46.02 46.01 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 -3.37 5.08 -0.74 1.61 0.01 -1.06 0.17 113.70 115.41 1j5i s SER 62 Ca 0.55 -1.49 -0.07 0.00 1.31 0.00 0.00 55.95 56.25 1j5i s SER 62 Cb -0.32 -1.78 0.19 0.00 0.21 0.00 0.00 66.02 64.33 1j5i s SER 62 CO 0.92 -0.36 0.61 0.00 0.41 0.00 0.00 173.24 174.82 1j5i s ALA 63 N 1.24 3.87 -1.18 1.44 0.00 0.15 -0.53 121.76 126.75 1j5i s ALA 63 Ca -0.00 -3.37 -0.11 0.00 0.00 0.00 0.00 51.96 48.47 1j5i s ALA 63 Cb -0.21 -3.02 0.22 0.00 0.00 0.00 0.00 23.12 20.11 1j5i s ALA 63 CO -0.01 -2.18 1.33 -1.13 0.00 0.00 0.00 175.76 173.76 1j5i n SER 64 N 3.50 5.37 -4.58 0.00 3.41 -1.25 0.64 113.62 120.71 1j5i n SER 64 Ca 0.12 -3.02 -0.34 0.00 -0.26 0.00 0.00 58.87 55.37 1j5i n SER 64 Cb 0.41 -1.49 -0.11 0.00 -0.26 0.00 0.00 64.21 62.76 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 0.29 3.92 0.06 6.66 -1.32 0.02 -4.87 115.64 120.41 1j5i s THR 65 Ca 0.38 -0.38 -0.19 0.00 -1.21 0.00 0.00 61.69 60.28 1j5i s THR 65 Cb -0.05 -2.65 -0.06 0.00 -1.51 0.00 0.00 72.50 68.22 1j5i s THR 65 CO -0.03 0.57 0.57 -0.94 -2.21 0.00 0.00 174.62 172.58 1j5i s SER 66 N -0.47 7.04 0.15 8.08 1.04 -1.26 0.91 113.70 129.19 1j5i s SER 66 Ca 0.07 1.24 -0.04 0.00 0.48 0.00 0.00 55.95 57.70 1j5i s SER 66 Cb -0.12 -2.36 -0.03 0.00 0.10 0.00 0.00 66.02 63.61 1j5i s SER 66 CO 0.02 0.25 0.16 -0.76 0.98 0.00 0.00 173.24 173.89 1j5i s LEU 67 N -0.96 1.40 -0.14 2.42 1.43 -0.70 -4.90 118.68 117.24 1j5i s LEU 67 Ca 0.29 -1.08 -0.05 0.00 -1.03 0.00 0.00 54.13 52.27 1j5i s LEU 67 Cb -0.19 0.68 -0.04 0.00 0.03 0.00 0.00 46.19 46.67 1j5i s LEU 67 CO 0.19 -0.80 0.03 0.28 0.23 0.00 0.00 176.35 176.27 1j5i s THR 68 N -4.02 4.49 -1.12 5.49 -1.32 -1.26 -1.11 115.64 116.79 1j5i s THR 68 Ca 0.22 -0.16 -0.15 0.00 -1.21 0.00 0.00 61.69 60.39 1j5i s THR 68 Cb 0.06 -2.96 0.16 0.00 -1.51 0.00 0.00 72.50 68.24 1j5i s THR 68 CO 0.02 0.53 1.34 -0.69 -2.21 0.00 0.00 174.62 173.61 1j5i s VAL 69 N -0.21 4.93 -0.98 5.08 1.01 0.70 -4.77 120.40 126.17 1j5i s VAL 69 Ca 0.06 -2.30 -0.01 0.00 0.00 0.00 0.00 61.98 59.73 1j5i s VAL 69 Cb -0.12 -4.87 0.30 0.00 0.00 0.00 0.00 36.38 31.69 1j5i s VAL 69 CO 0.02 -1.59 1.42 0.54 0.00 0.00 0.00 175.10 175.50 1j5i n ARG 70 N 5.94 4.34 -0.61 2.72 1.74 -1.26 -0.50 116.66 129.04 1j5i n ARG 70 Ca 0.33 -4.62 0.46 0.00 -0.77 0.00 0.00 57.85 53.25 1j5i n ARG 70 Cb 0.45 -2.45 0.71 0.00 -1.02 0.00 0.00 32.46 30.14 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 0.88 -0.00 -3.15 5.56 3.00 -1.26 -3.80 116.66 117.89 1j5i n ARG 71 Ca 0.31 0.95 -0.40 0.00 -0.00 0.00 0.00 57.85 58.71 1j5i n ARG 71 Cb 0.33 -2.17 -0.07 0.00 0.00 0.00 0.00 32.46 30.55 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 -3.91 6.54 -0.04 6.15 1.04 -1.24 -0.52 113.70 121.73 1j5i s SER 72 Ca -0.04 0.66 -0.31 0.00 0.48 0.00 0.00 55.95 56.74 1j5i s SER 72 Cb 0.24 -2.32 0.13 0.00 0.10 0.00 0.00 66.02 64.16 1j5i s SER 72 CO 0.77 -0.34 1.34 0.72 0.98 0.00 0.00 173.24 176.71 1j5i s PHE 73 N 2.41 -0.03 -0.52 5.02 -0.12 -0.26 -4.90 117.98 119.58 1j5i s PHE 73 Ca 0.25 -0.04 -0.19 0.00 -0.05 0.00 0.00 56.93 56.89 1j5i s PHE 73 Cb -0.16 0.53 0.06 0.00 -0.63 0.00 0.00 43.02 42.83 1j5i s PHE 73 CO 0.09 -0.19 0.64 -2.00 -0.05 0.00 0.00 175.22 173.71 1j5i s GLU 74 N -2.28 3.11 0.87 1.99 2.12 -1.26 -0.28 118.70 122.98 1j5i s GLU 74 Ca 0.15 -0.94 -0.11 0.00 0.36 0.00 0.00 54.97 54.43 1j5i s GLU 74 Cb 0.06 -4.12 0.12 0.00 0.26 0.00 0.00 34.13 30.45 1j5i s GLU 74 CO -0.05 -1.26 1.11 0.20 -0.54 0.00 0.00 175.26 174.72 1j5i s GLY 75 N 2.81 1.66 -0.09 -1.50 0.00 0.18 -3.27 107.32 107.10 1j5i s GLY 75 Ca 0.15 0.30 -0.01 0.00 0.00 0.00 0.00 44.72 45.15 1j5i s GLY 75 CO 0.11 0.72 -0.00 -0.12 0.00 0.00 0.00 173.10 173.81 1j5i s PHE 76 N -2.79 0.80 0.29 1.90 2.19 0.14 -0.94 117.98 119.57 1j5i s PHE 76 Ca 0.64 -0.32 -0.30 0.00 0.33 0.00 0.00 56.93 57.29 1j5i s PHE 76 Cb -0.20 -0.88 -0.13 0.00 -1.31 0.00 0.00 43.02 40.51 1j5i s PHE 76 CO 0.57 -0.39 1.38 1.28 1.83 0.00 0.00 175.22 179.90 1j5i n LEU 77 N 5.11 3.40 0.29 6.12 4.32 0.17 -0.68 117.00 135.72 1j5i n LEU 77 Ca -0.08 1.17 0.14 0.00 -0.02 0.00 0.00 56.01 57.22 1j5i n LEU 77 Cb 0.50 -1.47 0.85 0.00 -1.62 0.00 0.00 43.42 41.68 1j5i n LEU 77 CO 0.11 -0.43 1.09 0.15 -1.22 0.00 0.00 177.39 177.10 1j5i h PHE 78 N 3.60 0.00 -0.17 -1.77 3.57 0.05 -2.23 116.94 119.99 1j5i h PHE 78 Ca -0.46 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.08 1j5i h PHE 78 Cb 1.27 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.98 1j5i h PHE 78 CO 0.54 0.02 -0.08 0.22 -2.23 0.00 0.00 178.31 176.79 1j5i h ASP 79 N 0.00 -0.25 0.00 0.41 -0.00 -1.88 -3.46 116.42 111.23 1j5i h ASP 79 Ca -0.00 0.06 0.00 0.00 -0.00 0.00 0.00 57.03 57.09 1j5i h ASP 79 Cb 0.06 0.14 0.00 0.00 -0.00 0.00 0.00 39.33 39.53 1j5i h ASP 79 CO 0.00 -0.10 0.00 0.61 -0.00 0.00 0.00 179.24 179.75 1j5i n GLY 80 N -1.22 0.40 3.89 -0.78 0.00 -0.84 -5.15 105.19 101.49 1j5i n GLY 80 Ca -0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 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 4.35 -0.08 2.61 2.01 -1.25 -4.86 115.64 118.42 1j5i s THR 81 Ca 0.00 0.51 -0.05 0.00 0.31 0.00 0.00 61.69 62.46 1j5i s THR 81 Cb 0.00 -3.73 -0.04 0.00 0.01 0.00 0.00 72.50 68.74 1j5i s THR 81 CO 0.00 -0.87 0.15 0.00 -0.69 0.00 0.00 174.62 173.21 1j5i s ARG 82 N -5.08 3.41 0.00 4.92 1.70 -1.26 0.41 118.95 123.04 1j5i s ARG 82 Ca 0.54 -0.22 0.00 0.00 -0.47 0.00 0.00 55.73 55.58 1j5i s ARG 82 Cb -0.11 -3.13 0.00 0.00 -0.57 0.00 0.00 34.95 31.14 1j5i s ARG 82 CO 0.50 0.74 0.00 1.87 -1.08 0.00 0.00 175.30 177.33 1j5i n TRP 83 N 1.61 0.00 0.00 5.89 -0.00 -0.12 -4.76 117.44 120.07 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 0.54 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 3.51 0.75 4.31 5.87 0.00 -0.71 -4.76 105.19 114.17 1j5i n GLY 84 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.77 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 0.47 114.28 115.06 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 -1.68 12.58 0.31 0.62 -4.69 118.33 125.46 1j5i n VAL 86 Ca 0.00 0.00 -0.39 0.00 -0.01 0.00 0.00 64.34 63.94 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 5.00 -1.41 4.52 -1.08 -1.26 -1.10 116.67 117.33 1j5i s ASP 87 Ca 0.00 1.24 -0.09 0.00 -0.52 0.00 0.00 52.55 53.18 1j5i s ASP 87 Cb 0.00 -2.51 0.07 0.00 -1.46 0.00 0.00 42.92 39.02 1j5i s ASP 87 CO 0.00 -2.42 2.38 0.00 0.52 0.00 0.00 175.17 175.65 1j5i n THR 89 N 3.06 0.27 -0.07 0.00 5.66 -1.26 -4.54 114.28 117.40 1j5i n THR 89 Ca 0.59 -0.50 -0.21 0.00 -3.05 0.00 0.00 64.05 60.88 1j5i n THR 89 Cb 0.29 -0.07 -0.12 0.00 -1.55 0.00 0.00 70.33 68.88 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 0.92 -3.27 1.09 2.02 -2.01 -3.47 112.91 108.20 1j5i h THR 90 Ca -0.11 -2.25 -0.57 0.00 0.77 0.00 0.00 66.41 64.26 1j5i h THR 90 Cb 1.14 2.40 -0.04 0.00 -1.74 0.00 0.00 68.15 69.91 1j5i h THR 90 CO 0.01 0.49 -0.10 0.00 0.37 0.00 0.00 175.52 176.29 1j5i s ALA 91 N -2.41 3.60 -0.67 6.16 0.00 -1.26 -5.02 121.76 122.15 1j5i s ALA 91 Ca -0.26 -0.13 -0.21 0.00 0.00 0.00 0.00 51.96 51.36 1j5i s ALA 91 Cb 0.05 -2.51 0.09 0.00 0.00 0.00 0.00 23.12 20.75 1j5i s ALA 91 CO 0.65 0.46 0.90 0.00 0.00 0.00 0.00 175.76 177.77 1j5i s ALA 92 N -1.37 3.25 0.11 0.00 0.00 -1.26 -4.85 121.76 117.64 1j5i s ALA 92 Ca 0.35 -2.10 -0.30 0.00 0.00 0.00 0.00 51.96 49.90 1j5i s ALA 92 Cb -0.16 -3.78 -0.06 0.00 0.00 0.00 0.00 23.12 19.13 1j5i s ALA 92 CO 0.19 -2.66 1.11 0.00 0.00 0.00 0.00 175.76 174.39 1j5i s GLN 94 N 0.36 3.65 -0.41 0.00 -0.21 -0.57 -0.89 119.66 121.59 1j5i s GLN 94 Ca 0.53 -0.51 -0.23 0.00 0.02 0.00 0.00 55.36 55.17 1j5i s GLN 94 Cb -0.28 -3.57 0.02 0.00 1.00 0.00 0.00 33.01 30.17 1j5i s GLN 94 CO 0.32 -0.28 0.79 0.08 -2.12 0.00 0.00 175.29 174.07 1j5i s VAL 95 N 1.68 4.68 0.34 1.09 1.01 0.36 -0.28 120.40 129.27 1j5i s VAL 95 Ca 0.06 0.65 -0.18 0.00 0.00 0.00 0.00 61.98 62.51 1j5i s VAL 95 Cb -0.16 -4.27 0.05 0.00 0.00 0.00 0.00 36.38 32.00 1j5i s VAL 95 CO 0.08 -0.59 0.81 -0.83 0.00 0.00 0.00 175.10 174.57 1j5i s GLY 96 N 2.01 0.25 -0.16 4.51 0.00 -0.01 -1.72 107.32 112.20 1j5i s GLY 96 Ca 0.31 -0.61 -0.05 0.00 0.00 0.00 0.00 44.72 44.37 1j5i s GLY 96 CO 0.20 0.02 0.02 0.48 0.00 0.00 0.00 173.10 173.82 1j5i s LEU 97 N -3.08 3.58 -0.06 0.66 0.05 -1.25 0.03 118.68 118.62 1j5i s LEU 97 Ca 0.15 0.02 -0.02 0.00 0.05 0.00 0.00 54.13 54.33 1j5i s LEU 97 Cb -0.05 -1.88 -0.04 0.00 -2.05 0.00 0.00 46.19 42.18 1j5i s LEU 97 CO 0.10 0.21 0.04 -0.55 -0.55 0.00 0.00 176.35 175.60 1j5i s SER 98 N 0.16 5.51 0.70 1.48 0.15 0.10 -4.24 113.70 117.56 1j5i s SER 98 Ca 0.02 0.17 -0.11 0.00 0.70 0.00 0.00 55.95 56.73 1j5i s SER 98 Cb -0.13 -1.59 0.01 0.00 -1.71 0.00 0.00 66.02 62.60 1j5i s SER 98 CO 0.02 0.34 1.06 -1.81 1.20 0.00 0.00 173.24 174.05 1j5i s ASP 99 N -1.23 5.36 0.00 5.45 -0.00 -1.26 0.66 116.67 125.65 1j5i s ASP 99 Ca 0.17 1.63 0.24 0.00 -0.00 0.00 0.00 52.55 54.59 1j5i s ASP 99 Cb -0.12 -2.50 0.96 0.00 -0.00 0.00 0.00 42.92 41.26 1j5i s ASP 99 CO 0.07 -1.46 1.68 0.00 -0.00 0.00 0.00 175.17 175.45 1j5i n ALA 100 N -3.12 2.56 0.17 5.23 0.00 -1.26 -3.32 120.51 120.77 1j5i n ALA 100 Ca 0.08 -0.45 0.11 0.00 0.00 0.00 0.00 53.44 53.17 1j5i n ALA 100 Cb 0.53 -1.15 -0.08 0.00 0.00 0.00 0.00 19.45 18.75 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 0.13 2.91 -1.29 0.00 0.00 -1.26 -4.99 120.51 116.00 1j5i n ALA 101 Ca 0.18 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.20 1j5i n ALA 101 Cb 0.32 -0.90 0.00 0.00 0.00 0.00 0.00 19.45 18.86 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 1.26 0.53 3.70 0.00 0.00 -1.21 -5.09 105.19 104.39 1j5i n GLY 102 Ca -0.01 -0.34 -0.31 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 -2.40 5.16 -0.81 1.61 -0.87 -1.26 -4.97 114.94 111.40 1j5i s ASN 103 Ca 0.00 -0.10 -0.20 0.00 -1.57 0.00 0.00 52.86 50.99 1j5i s ASN 103 Cb 0.00 -1.30 -0.20 0.00 -0.02 0.00 0.00 41.25 39.73 1j5i s ASN 103 CO 0.00 0.20 2.06 0.61 -2.57 0.00 0.00 177.10 177.40 1j5i n GLY 104 N 0.77 -0.40 3.69 0.66 0.00 -1.26 -4.50 105.19 104.16 1j5i n GLY 104 Ca -0.11 0.68 -0.42 0.00 0.00 0.00 0.00 46.02 46.16 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 6.82 4.37 -0.22 1.61 0.04 -1.26 -4.99 135.00 141.37 1j5i s PRO 105 Ca 1.09 1.72 -0.19 0.00 0.04 0.00 0.00 61.00 63.65 1j5i s PRO 105 Cb -0.93 -3.50 -0.03 0.00 0.04 0.00 0.00 34.50 30.09 1j5i s PRO 105 CO 0.41 -0.40 0.58 -1.21 0.04 0.00 0.00 177.00 176.43 1j5i s GLU 106 N 1.89 4.15 0.09 4.56 8.01 -1.26 -5.02 118.70 131.12 1j5i s GLU 106 Ca 0.57 0.49 0.04 0.00 0.01 0.00 0.00 54.97 56.09 1j5i s GLU 106 Cb -0.26 -3.61 -0.03 0.00 -4.31 0.00 0.00 34.13 25.92 1j5i s GLU 106 CO 0.24 -0.28 -0.12 0.20 0.01 0.00 0.00 175.26 175.32 1j5i s GLY 107 N 1.32 0.87 -0.30 -1.39 0.00 -1.26 -3.75 107.32 102.81 1j5i s GLY 107 Ca 0.25 -1.12 -0.09 0.00 0.00 0.00 0.00 44.72 43.76 1j5i s GLY 107 CO 0.09 -1.17 0.14 0.54 0.00 0.00 0.00 173.10 172.70 1j5i s VAL 108 N -1.94 4.57 -0.77 1.40 0.11 -0.70 -4.72 120.40 118.34 1j5i s VAL 108 Ca 0.03 -0.37 -0.26 0.00 -2.93 0.00 0.00 61.98 58.44 1j5i s VAL 108 Cb -0.06 -3.30 -0.13 0.00 -1.53 0.00 0.00 36.38 31.36 1j5i s VAL 108 CO 0.01 0.11 2.39 0.00 -3.33 0.00 0.00 175.10 174.28 1j5i s ALA 109 N 1.62 0.80 -0.02 1.54 0.00 -1.26 -0.49 121.76 123.95 1j5i s ALA 109 Ca 0.05 -0.77 -0.14 0.00 0.00 0.00 0.00 51.96 51.09 1j5i s ALA 109 Cb -0.17 -4.56 -0.05 0.00 0.00 0.00 0.00 23.12 18.34 1j5i s ALA 109 CO 0.06 -5.76 0.39 -1.50 0.00 0.00 0.00 175.76 168.94 1j5i s ILE 110 N 14.40 5.09 0.00 0.00 1.10 -0.07 -4.75 121.20 136.97 1j5i s ILE 110 Ca 0.92 0.79 0.00 0.00 -0.51 0.00 0.00 60.65 61.84 1j5i s ILE 110 Cb -0.13 -3.69 0.00 0.00 0.15 0.00 0.00 42.46 38.79 1j5i s ILE 110 CO 0.09 0.56 0.00 -0.24 -2.11 0.00 0.00 174.94 173.24 1j5i n SER 111 N 2.02 0.00 -3.93 4.50 2.88 -0.16 -4.23 113.62 114.69 1j5i n SER 111 Ca -0.14 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.30 1j5i n SER 111 Cb 0.52 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.86 1j5i n SER 111 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 1j5i s PHE 112 N 0.00 0.15 -2.00 0.66 5.36 -1.07 0.78 117.98 121.86 1j5i s PHE 112 Ca 0.00 -0.30 0.05 0.00 -0.96 0.00 0.00 56.93 55.72 1j5i s PHE 112 Cb 0.00 -0.11 0.30 0.00 -0.34 0.00 0.00 43.02 42.87 1j5i s PHE 112 CO 0.00 -0.12 0.77 -1.71 -1.46 0.00 0.00 175.22 172.70