#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 -2.31 0.00 0.00 -1.26 -5.10 120.51 111.84 1j5i n ALA 2 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.08 1j5i n ALA 2 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 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 3.05 1.06 0.00 0.04 -1.26 -4.15 135.00 133.73 1j5i s PRO 3 Ca 0.00 -0.47 0.00 0.00 0.04 0.00 0.00 61.00 60.57 1j5i s PRO 3 Cb 0.00 -4.95 0.00 0.00 0.04 0.00 0.00 34.50 29.59 1j5i s PRO 3 CO 0.00 -2.67 0.00 0.25 0.04 0.00 0.00 177.00 174.62 1j5i n THR 4 N 7.20 0.00 -1.62 1.26 -2.24 -0.94 -4.25 114.28 113.68 1j5i n THR 4 Ca 0.29 0.00 -0.44 0.00 -2.27 0.00 0.00 64.05 61.64 1j5i n THR 4 Cb 0.49 0.00 -0.03 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 n ALA 5 N 1.46 1.58 -2.93 6.98 0.00 -1.20 -3.33 120.51 123.07 1j5i n ALA 5 Ca 0.00 -0.01 -0.11 0.00 0.00 0.00 0.00 53.44 53.32 1j5i n ALA 5 Cb 0.00 -2.77 -0.12 0.00 0.00 0.00 0.00 19.45 16.56 1j5i n ALA 5 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1j5i s THR 6 N 6.37 0.06 0.02 0.00 -4.23 -0.10 -4.02 115.64 113.73 1j5i s THR 6 Ca 0.96 -0.46 -0.30 0.00 -1.18 0.00 0.00 61.69 60.71 1j5i s THR 6 Cb -0.44 -0.14 -0.03 0.00 1.34 0.00 0.00 72.50 73.22 1j5i s THR 6 CO 0.40 -0.25 0.98 -0.69 -0.54 0.00 0.00 174.62 174.52 1j5i s VAL 7 N -0.74 4.79 0.13 2.29 1.01 -1.26 -1.90 120.40 124.71 1j5i s VAL 7 Ca -0.08 2.04 -0.25 0.00 0.00 0.00 0.00 61.98 63.70 1j5i s VAL 7 Cb -0.05 -4.31 -0.06 0.00 0.00 0.00 0.00 36.38 31.96 1j5i s VAL 7 CO -0.00 0.18 1.39 0.41 0.00 0.00 0.00 175.10 177.07 1j5i n THR 8 N 3.74 -0.54 0.00 3.92 -1.04 -0.54 -4.50 114.28 115.32 1j5i n THR 8 Ca 0.06 2.17 0.00 0.00 -2.04 0.00 0.00 64.05 64.23 1j5i n THR 8 Cb 0.51 -2.70 0.00 0.00 -1.82 0.00 0.00 70.33 66.31 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 -4.81 1.82 0.00 -2.82 -0.04 -1.26 -5.05 135.00 122.84 1j5i n PRO 9 Ca 0.02 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.48 1j5i n PRO 9 Cb 0.21 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.67 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 -1.55 3.54 7.64 -1.26 -4.89 113.62 117.10 1j5i n SER 10 Ca 0.00 0.00 -0.05 0.00 1.01 0.00 0.00 58.87 59.83 1j5i n SER 10 Cb 0.00 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.22 1j5i n SER 10 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1j5i n SER 11 N -0.90 5.20 -1.39 6.43 2.88 -1.25 -1.86 113.62 122.73 1j5i n SER 11 Ca 0.00 -2.56 0.05 0.00 -1.33 0.00 0.00 58.87 55.03 1j5i n SER 11 Cb 0.00 -0.99 0.26 0.00 -0.75 0.00 0.00 64.21 62.73 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 0.92 2.43 0.27 0.46 0.00 -1.19 -4.55 105.19 103.54 1j5i n GLY 12 Ca 0.10 -0.60 0.09 0.00 0.00 0.00 0.00 46.02 45.61 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 0.42 -0.16 0.00 0.99 -0.00 -0.70 -4.55 117.00 113.00 1j5i n LEU 13 Ca 0.18 1.30 0.00 0.00 -0.00 0.00 0.00 56.01 57.49 1j5i n LEU 13 Cb 0.86 -0.44 0.00 0.00 -0.00 0.00 0.00 43.42 43.83 1j5i n LEU 13 CO 0.21 -1.29 0.00 -0.24 -0.00 0.00 0.00 177.39 176.07 1j5i n SER 14 N -5.13 0.00 -3.38 1.45 2.88 -1.26 -3.90 113.62 104.28 1j5i n SER 14 Ca 0.16 0.00 -0.20 0.00 -1.33 0.00 0.00 58.87 57.50 1j5i n SER 14 Cb 0.51 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.94 1j5i n SER 14 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1j5i n ASP 15 N 0.00 -2.04 -4.07 -3.46 8.00 -1.26 -0.60 116.55 113.12 1j5i n ASP 15 Ca 0.00 -0.30 -0.36 0.00 0.71 0.00 0.00 54.79 54.84 1j5i n ASP 15 Cb 0.00 -1.79 -0.03 0.00 -0.02 0.00 0.00 41.12 39.29 1j5i n ASP 15 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1j5i n GLY 16 N -0.86 -0.46 3.58 0.44 0.00 -1.26 -4.74 105.19 101.88 1j5i n GLY 16 Ca 0.03 0.23 -0.41 0.00 0.00 0.00 0.00 46.02 45.88 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 -3.93 3.46 -0.24 2.61 2.01 0.23 -4.75 115.64 115.03 1j5i s THR 17 Ca 0.25 0.39 -0.16 0.00 0.31 0.00 0.00 61.69 62.48 1j5i s THR 17 Cb -0.14 -3.84 -0.04 0.00 0.01 0.00 0.00 72.50 68.49 1j5i s THR 17 CO 0.86 -0.68 0.40 -0.69 -0.69 0.00 0.00 174.62 173.82 1j5i s VAL 18 N 7.85 5.18 0.00 3.82 1.01 -1.26 -1.49 120.40 135.50 1j5i s VAL 18 Ca 0.72 0.66 0.00 0.00 0.00 0.00 0.00 61.98 63.36 1j5i s VAL 18 Cb -0.17 -3.72 0.00 0.00 0.00 0.00 0.00 36.38 32.49 1j5i s VAL 18 CO 0.27 0.19 0.00 1.33 0.00 0.00 0.00 175.10 176.90 1j5i n VAL 19 N 4.76 0.00 -4.38 2.92 0.24 -0.75 -5.00 118.33 116.12 1j5i n VAL 19 Ca -0.08 0.00 -0.34 0.00 -2.04 0.00 0.00 64.34 61.88 1j5i n VAL 19 Cb 0.51 0.00 -0.09 0.00 -1.47 0.00 0.00 33.84 32.78 1j5i n VAL 19 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1j5i s LYS 20 N -1.33 2.92 -0.36 7.34 1.02 -1.26 -1.32 119.74 126.75 1j5i s LYS 20 Ca 0.00 -0.46 -0.02 0.00 0.02 0.00 0.00 55.97 55.51 1j5i s LYS 20 Cb 0.00 -2.75 0.09 0.00 -0.52 0.00 0.00 37.83 34.64 1j5i s LYS 20 CO 0.00 0.68 0.11 0.08 -0.92 0.00 0.00 175.35 175.31 1j5i s VAL 21 N -0.92 3.07 -0.14 3.17 1.01 0.26 -1.46 120.40 125.40 1j5i s VAL 21 Ca 0.15 -1.84 -0.21 0.00 0.00 0.00 0.00 61.98 60.08 1j5i s VAL 21 Cb -0.11 -3.00 -0.03 0.00 0.00 0.00 0.00 36.38 33.23 1j5i s VAL 21 CO 0.04 -0.47 0.61 0.00 0.00 0.00 0.00 175.10 175.28 1j5i s ALA 22 N 1.16 3.46 -0.58 5.51 0.00 -0.80 -1.04 121.76 129.47 1j5i s ALA 22 Ca 0.04 -0.13 -0.06 0.00 0.00 0.00 0.00 51.96 51.81 1j5i s ALA 22 Cb -0.21 -2.88 0.15 0.00 0.00 0.00 0.00 23.12 20.18 1j5i s ALA 22 CO -0.03 -0.27 0.43 0.20 0.00 0.00 0.00 175.76 176.08 1j5i s GLY 23 N 0.93 2.33 -0.43 0.00 0.00 0.15 -0.92 107.32 109.38 1j5i s GLY 23 Ca 0.31 -2.98 -0.21 0.00 0.00 0.00 0.00 44.72 41.84 1j5i s GLY 23 CO 0.13 1.11 0.68 0.00 0.00 0.00 0.00 173.10 175.02 1j5i s ALA 24 N 0.51 3.34 0.00 3.20 0.00 -1.21 -1.18 121.76 126.42 1j5i s ALA 24 Ca 0.13 -1.12 0.00 0.00 0.00 0.00 0.00 51.96 50.97 1j5i s ALA 24 Cb -0.21 -3.33 0.00 0.00 0.00 0.00 0.00 23.12 19.59 1j5i s ALA 24 CO -0.04 -1.77 0.00 0.41 0.00 0.00 0.00 175.76 174.36 1j5i n GLY 25 N 4.98 0.63 0.00 0.00 0.00 -0.49 -2.21 105.19 108.10 1j5i n GLY 25 Ca -0.01 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.25 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 -0.11 0.00 -4.54 0.99 7.94 -0.68 -4.87 117.00 115.74 1j5i n LEU 26 Ca 0.00 0.00 -0.18 0.00 -1.11 0.00 0.00 56.01 54.72 1j5i n LEU 26 Cb 0.45 0.00 -0.13 0.00 0.53 0.00 0.00 43.42 44.28 1j5i n LEU 26 CO 0.00 0.00 1.59 0.00 -1.11 0.00 0.00 177.39 177.87 1j5i n GLN 27 N 0.00 0.36 -1.58 1.96 3.00 -1.26 -4.68 117.38 115.18 1j5i n GLN 27 Ca 0.00 -0.49 -0.14 0.00 -0.01 0.00 0.00 57.00 56.36 1j5i n GLN 27 Cb 0.00 -2.66 -0.10 0.00 0.00 0.00 0.00 30.24 27.48 1j5i n GLN 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1j5i s ALA 28 N 9.25 0.50 -0.37 -1.58 0.00 -1.26 -1.65 121.76 126.65 1j5i s ALA 28 Ca 1.08 -1.17 0.00 0.00 0.00 0.00 0.00 51.96 51.87 1j5i s ALA 28 Cb -0.42 -4.65 0.00 0.00 0.00 0.00 0.00 23.12 18.04 1j5i s ALA 28 CO 0.28 -6.59 0.00 0.41 0.00 0.00 0.00 175.76 169.86 1j5i n GLY 29 N 6.44 0.63 3.37 0.00 0.00 -0.97 -4.80 105.19 109.85 1j5i n GLY 29 Ca 0.44 -0.37 -0.20 0.00 0.00 0.00 0.00 46.02 45.88 1j5i n GLY 29 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1j5i n THR 30 N -2.74 0.00 -3.47 2.61 -1.04 -0.66 -4.82 114.28 104.17 1j5i n THR 30 Ca -0.03 -1.33 -0.21 0.00 -2.04 0.00 0.00 64.05 60.44 1j5i n THR 30 Cb 0.20 -1.00 -0.12 0.00 -1.82 0.00 0.00 70.33 67.59 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 -3.18 -0.12 0.42 2.41 0.00 -1.26 -1.70 121.76 118.32 1j5i s ALA 31 Ca 0.58 -0.34 0.07 0.00 0.00 0.00 0.00 51.96 52.27 1j5i s ALA 31 Cb -0.03 -1.55 -0.05 0.00 0.00 0.00 0.00 23.12 21.49 1j5i s ALA 31 CO 0.39 -1.54 0.17 0.71 0.00 0.00 0.00 175.76 175.49 1j5i s TYR 32 N 2.28 2.59 -0.40 0.00 2.02 0.14 -4.64 117.35 119.34 1j5i s TYR 32 Ca 0.08 -0.60 -0.21 0.00 -0.37 0.00 0.00 57.07 55.98 1j5i s TYR 32 Cb -0.15 -1.95 0.01 0.00 -0.40 0.00 0.00 41.96 39.47 1j5i s TYR 32 CO -0.27 0.19 0.66 -0.51 -1.57 0.00 0.00 175.55 174.04 1j5i s ASP 33 N -3.90 6.39 0.38 2.29 1.11 -0.01 0.62 116.67 123.54 1j5i s ASP 33 Ca 0.40 -0.06 -0.25 0.00 0.18 0.00 0.00 52.55 52.82 1j5i s ASP 33 Cb 0.04 -2.33 -0.09 0.00 1.07 0.00 0.00 42.92 41.61 1j5i s ASP 33 CO 0.22 -0.70 1.08 -0.69 1.18 0.00 0.00 175.17 176.26 1j5i s VAL 34 N 2.82 3.58 0.00 -1.27 1.01 -0.19 -0.88 120.40 125.47 1j5i s VAL 34 Ca 0.24 1.30 0.00 0.00 0.00 0.00 0.00 61.98 63.52 1j5i s VAL 34 Cb -0.14 -3.71 0.00 0.00 0.00 0.00 0.00 36.38 32.53 1j5i s VAL 34 CO 0.17 0.09 0.00 0.61 0.00 0.00 0.00 175.10 175.98 1j5i n GLY 35 N 0.56 1.87 3.43 4.51 0.00 0.69 -0.40 105.19 115.85 1j5i n GLY 35 Ca 0.04 -0.81 -0.44 0.00 0.00 0.00 0.00 46.02 44.81 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 3.02 0.14 1.61 -0.21 -1.26 -0.45 119.66 120.51 1j5i s GLN 36 Ca 0.00 -1.08 0.05 0.00 0.02 0.00 0.00 55.36 54.36 1j5i s GLN 36 Cb 0.00 -4.06 -0.04 0.00 1.00 0.00 0.00 33.01 29.91 1j5i s GLN 36 CO 0.00 -0.95 0.05 0.00 -2.12 0.00 0.00 175.29 172.27 1j5i s ALA 38 N -1.57 -2.02 -0.27 0.00 0.00 -0.76 -1.52 121.76 115.62 1j5i s ALA 38 Ca 0.28 0.93 -0.29 0.00 0.00 0.00 0.00 51.96 52.88 1j5i s ALA 38 Cb -0.11 0.27 0.01 0.00 0.00 0.00 0.00 23.12 23.29 1j5i s ALA 38 CO 0.20 -0.85 1.12 -1.58 0.00 0.00 0.00 175.76 174.66 1j5i s TRP 39 N -2.68 3.10 -0.18 0.00 0.52 -1.26 0.44 118.94 118.88 1j5i s TRP 39 Ca 0.11 1.21 -0.07 0.00 0.02 0.00 0.00 56.10 57.37 1j5i s TRP 39 Cb 0.01 -3.56 -0.09 0.00 -1.15 0.00 0.00 33.47 28.68 1j5i s TRP 39 CO -0.04 -0.96 -0.21 1.55 0.02 0.00 0.00 176.95 177.31 1j5i n VAL 40 N 5.67 0.99 -2.12 4.03 3.14 -0.60 -4.55 118.33 124.89 1j5i n VAL 40 Ca 0.13 -0.28 -0.14 0.00 -2.96 0.00 0.00 64.34 61.08 1j5i n VAL 40 Cb 0.46 -1.59 0.08 0.00 -1.06 0.00 0.00 33.84 31.74 1j5i n VAL 40 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 1j5i n ASP 41 N -3.61 0.51 -4.53 6.55 10.43 -1.17 -4.87 116.55 119.86 1j5i n ASP 41 Ca -0.34 -1.51 -0.23 0.00 2.57 0.00 0.00 54.79 55.29 1j5i n ASP 41 Cb 0.77 -0.44 -0.13 0.00 1.84 0.00 0.00 41.12 43.16 1j5i n ASP 41 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 177.20 176.54 1j5i n THR 42 N -2.50 -0.01 -1.66 -3.53 -1.04 -1.26 -1.38 114.28 102.90 1j5i n THR 42 Ca 0.09 -0.48 -0.10 0.00 -2.04 0.00 0.00 64.05 61.52 1j5i n THR 42 Cb 0.33 -1.20 -0.03 0.00 -1.82 0.00 0.00 70.33 67.61 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 6.20 0.51 3.56 3.41 0.00 -1.26 -4.88 105.19 112.72 1j5i n GLY 43 Ca 0.56 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 46.18 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 -2.07 5.23 -0.47 1.61 1.01 -0.48 -5.00 120.40 120.24 1j5i s VAL 44 Ca 0.00 0.09 -0.28 0.00 0.00 0.00 0.00 61.98 61.80 1j5i s VAL 44 Cb 0.00 -3.70 -0.02 0.00 0.00 0.00 0.00 36.38 32.66 1j5i s VAL 44 CO 0.00 0.05 1.78 -0.22 0.00 0.00 0.00 175.10 176.71 1j5i s LEU 45 N 1.89 3.42 -0.09 3.92 0.20 -1.26 -1.56 118.68 125.19 1j5i s LEU 45 Ca 0.10 0.81 0.01 0.00 0.69 0.00 0.00 54.13 55.74 1j5i s LEU 45 Cb -0.16 -3.08 -0.02 0.00 -0.43 0.00 0.00 46.19 42.50 1j5i s LEU 45 CO 0.11 -1.97 -0.12 0.00 -0.29 0.00 0.00 176.35 174.07 1j5i s ALA 46 N 7.69 2.69 0.21 5.97 0.00 0.17 -0.76 121.76 137.73 1j5i s ALA 46 Ca 0.72 -0.92 0.01 0.00 0.00 0.00 0.00 51.96 51.77 1j5i s ALA 46 Cb -0.17 -1.13 -0.04 0.00 0.00 0.00 0.00 23.12 21.78 1j5i s ALA 46 CO 0.28 0.40 0.38 0.00 0.00 0.00 0.00 175.76 176.82 1j5i s ASN 48 N -3.38 5.25 0.07 0.00 0.02 -1.18 0.17 114.94 115.89 1j5i s ASN 48 Ca 0.37 0.63 0.23 0.00 -1.02 0.00 0.00 52.86 53.06 1j5i s ASN 48 Cb -0.11 -1.46 0.92 0.00 0.02 0.00 0.00 41.25 40.63 1j5i s ASN 48 CO 0.30 -1.31 1.71 -0.81 0.02 0.00 0.00 177.10 177.01 1j5i n PRO 49 N -2.75 0.07 -0.37 -0.60 -0.04 -1.15 -2.09 135.00 128.07 1j5i n PRO 49 Ca 0.06 0.18 0.09 0.00 -0.04 0.00 0.00 63.50 63.79 1j5i n PRO 49 Cb 0.59 -1.60 0.26 0.00 -0.04 0.00 0.00 33.50 32.71 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 -1.58 2.54 1.09 0.55 0.00 -1.26 -4.23 120.51 117.61 1j5i n ALA 50 Ca 0.05 -1.43 0.08 0.00 0.00 0.00 0.00 53.44 52.15 1j5i n ALA 50 Cb 0.28 -0.74 0.28 0.00 0.00 0.00 0.00 19.45 19.27 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 0.86 1.74 -4.22 0.00 2.03 -0.89 -4.55 116.55 111.52 1j5i n ASP 51 Ca 0.20 -1.83 -0.42 0.00 0.52 0.00 0.00 54.79 53.26 1j5i n ASP 51 Cb 0.65 -0.16 -0.06 0.00 -0.72 0.00 0.00 41.12 40.82 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 -1.68 3.54 -0.42 -0.67 0.08 -1.19 -2.84 117.98 114.79 1j5i s PHE 52 Ca 0.29 -2.19 0.05 0.00 0.12 0.00 0.00 56.93 55.19 1j5i s PHE 52 Cb 0.15 -3.53 0.17 0.00 -0.57 0.00 0.00 43.02 39.24 1j5i s PHE 52 CO 0.22 -0.94 0.47 0.45 -0.10 0.00 0.00 175.22 175.32 1j5i s SER 53 N 1.83 0.42 0.17 1.36 0.15 0.46 -4.95 113.70 113.14 1j5i s SER 53 Ca 0.14 -1.94 -0.21 0.00 0.70 0.00 0.00 55.95 54.64 1j5i s SER 53 Cb -0.18 0.73 -0.13 0.00 -1.71 0.00 0.00 66.02 64.72 1j5i s SER 53 CO -0.04 -0.18 0.37 -0.24 1.20 0.00 0.00 173.24 174.35 1j5i n SER 54 N 3.59 -1.06 -3.66 5.45 2.88 -1.26 -1.02 113.62 118.54 1j5i n SER 54 Ca 0.18 0.85 -0.15 0.00 -1.33 0.00 0.00 58.87 58.41 1j5i n SER 54 Cb 0.49 -0.72 -0.08 0.00 -0.75 0.00 0.00 64.21 63.15 1j5i n SER 54 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1j5i s VAL 55 N -0.81 0.01 0.04 2.46 1.01 0.20 -4.64 120.40 118.68 1j5i s VAL 55 Ca 0.49 -0.10 0.04 0.00 0.00 0.00 0.00 61.98 62.41 1j5i s VAL 55 Cb -0.69 -0.80 -0.02 0.00 0.00 0.00 0.00 36.38 34.87 1j5i s VAL 55 CO 0.43 -0.05 -0.12 0.28 0.00 0.00 0.00 175.10 175.64 1j5i s THR 56 N -0.44 0.89 -0.03 3.92 -1.32 -1.26 0.23 115.64 117.63 1j5i s THR 56 Ca -0.06 -0.93 -0.00 0.00 -1.21 0.00 0.00 61.69 59.48 1j5i s THR 56 Cb -0.03 -0.84 -0.04 0.00 -1.51 0.00 0.00 72.50 70.09 1j5i s THR 56 CO 0.04 -0.08 0.04 0.00 -2.21 0.00 0.00 174.62 172.40 1j5i s ALA 57 N -0.90 3.43 0.83 11.08 0.00 -0.69 -4.49 121.76 131.02 1j5i s ALA 57 Ca -0.01 -0.88 -0.12 0.00 0.00 0.00 0.00 51.96 50.96 1j5i s ALA 57 Cb -0.08 -1.49 0.10 0.00 0.00 0.00 0.00 23.12 21.65 1j5i s ALA 57 CO 0.01 0.65 1.15 -0.51 0.00 0.00 0.00 175.76 177.06 1j5i s ASP 58 N -1.46 3.62 0.56 0.00 1.01 0.16 -2.30 116.67 118.26 1j5i s ASP 58 Ca 0.19 2.15 0.48 0.00 0.71 0.00 0.00 52.55 56.08 1j5i s ASP 58 Cb -0.12 -2.56 1.65 0.00 1.01 0.00 0.00 42.92 42.90 1j5i s ASP 58 CO 0.10 -2.64 1.55 0.00 0.21 0.00 0.00 175.17 174.39 1j5i h ALA 59 N -1.27 3.76 -0.42 5.23 0.00 -1.89 3.19 119.26 127.86 1j5i h ALA 59 Ca -0.44 -0.06 -0.25 0.00 0.00 0.00 0.00 54.91 54.15 1j5i h ALA 59 Cb 1.27 0.14 -0.13 0.00 0.00 0.00 0.00 17.79 19.07 1j5i h ALA 59 CO 0.46 -2.34 0.32 -1.71 0.00 0.00 0.00 179.25 175.97 1j5i n ASN 60 N -3.87 4.75 -4.45 0.00 5.15 -1.26 -4.17 115.26 111.40 1j5i n ASN 60 Ca 0.42 -2.82 -0.41 0.00 -0.60 0.00 0.00 54.58 51.16 1j5i n ASN 60 Cb 1.95 -0.84 -0.07 0.00 -0.53 0.00 0.00 39.78 40.29 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 0.13 -0.41 3.23 8.20 0.00 1.06 -4.40 105.19 113.00 1j5i n GLY 61 Ca 0.26 0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.95 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 -3.28 5.79 -0.87 1.61 0.01 -0.97 -1.40 113.70 114.59 1j5i s SER 62 Ca 0.80 -1.87 -0.08 0.00 1.31 0.00 0.00 55.95 56.11 1j5i s SER 62 Cb -0.46 -2.05 0.22 0.00 0.21 0.00 0.00 66.02 63.95 1j5i s SER 62 CO 1.00 -0.72 0.79 0.00 0.41 0.00 0.00 173.24 174.72 1j5i s ALA 63 N 1.41 4.19 -1.16 1.44 0.00 -0.32 0.36 121.76 127.67 1j5i s ALA 63 Ca 0.05 -3.56 -0.08 0.00 0.00 0.00 0.00 51.96 48.36 1j5i s ALA 63 Cb -0.27 -3.20 0.25 0.00 0.00 0.00 0.00 23.12 19.90 1j5i s ALA 63 CO 0.00 -2.20 1.46 -1.13 0.00 0.00 0.00 175.76 173.89 1j5i n SER 64 N 3.18 5.67 -4.55 0.00 3.41 -1.25 0.34 113.62 120.42 1j5i n SER 64 Ca 0.17 -3.16 -0.34 0.00 -0.26 0.00 0.00 58.87 55.28 1j5i n SER 64 Cb 0.41 -1.40 -0.12 0.00 -0.26 0.00 0.00 64.21 62.84 1j5i n SER 64 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1j5i s THR 65 N -0.89 3.76 -0.03 6.66 -4.23 -0.21 -4.85 115.64 115.85 1j5i s THR 65 Ca 0.35 -0.44 -0.01 0.00 -1.18 0.00 0.00 61.69 60.41 1j5i s THR 65 Cb 0.00 -2.57 -0.04 0.00 1.34 0.00 0.00 72.50 71.23 1j5i s THR 65 CO 0.01 0.56 0.04 -0.94 -0.54 0.00 0.00 174.62 173.76 1j5i s SER 66 N -0.40 5.46 0.18 3.99 1.04 -1.26 0.93 113.70 123.64 1j5i s SER 66 Ca 0.06 0.13 -0.07 0.00 0.48 0.00 0.00 55.95 56.55 1j5i s SER 66 Cb -0.12 -1.54 0.03 0.00 0.10 0.00 0.00 66.02 64.49 1j5i s SER 66 CO 0.02 0.31 0.36 0.18 0.98 0.00 0.00 173.24 175.10 1j5i n LEU 67 N 1.55 0.00 -4.48 2.42 7.99 -0.43 -4.93 117.00 119.12 1j5i n LEU 67 Ca -0.15 -1.17 -0.35 0.00 -0.01 0.00 0.00 56.01 54.33 1j5i n LEU 67 Cb 0.53 1.75 -0.12 0.00 -0.11 0.00 0.00 43.42 45.47 1j5i n LEU 67 CO 0.34 -0.39 -0.33 -0.89 -1.51 0.00 0.00 177.39 174.61 1j5i s THR 68 N -2.59 4.01 -0.86 -5.08 2.01 -1.26 -1.81 115.64 110.06 1j5i s THR 68 Ca 0.07 -0.30 -0.20 0.00 0.31 0.00 0.00 61.69 61.57 1j5i s THR 68 Cb -0.02 -2.80 0.12 0.00 0.01 0.00 0.00 72.50 69.81 1j5i s THR 68 CO 0.05 0.45 1.08 0.54 -0.69 0.00 0.00 174.62 176.06 1j5i s VAL 69 N 0.78 4.63 -0.21 3.82 0.11 -0.56 -4.94 120.40 124.03 1j5i s VAL 69 Ca 0.00 -1.29 -0.14 0.00 -2.93 0.00 0.00 61.98 57.62 1j5i s VAL 69 Cb -0.14 -4.76 -0.04 0.00 -1.53 0.00 0.00 36.38 29.91 1j5i s VAL 69 CO 0.02 -1.49 0.32 -0.13 -3.33 0.00 0.00 175.10 170.49 1j5i s ARG 70 N 3.02 4.15 -0.14 1.54 1.81 -1.26 -3.59 118.95 124.48 1j5i s ARG 70 Ca 0.30 0.06 -0.06 0.00 -1.72 0.00 0.00 55.73 54.32 1j5i s ARG 70 Cb -0.08 -3.53 -0.25 0.00 -0.45 0.00 0.00 34.95 30.64 1j5i s ARG 70 CO -0.05 0.01 0.30 -2.13 -0.68 0.00 0.00 175.30 172.75 1j5i n ARG 71 N 4.35 0.75 -2.98 3.54 0.63 -1.25 -4.87 116.66 116.82 1j5i n ARG 71 Ca -0.10 0.25 -0.40 0.00 -0.92 0.00 0.00 57.85 56.67 1j5i n ARG 71 Cb 0.51 -1.69 -0.05 0.00 0.45 0.00 0.00 32.46 31.69 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 -6.98 7.12 0.00 6.15 1.04 -1.26 -1.68 113.70 118.10 1j5i s SER 72 Ca -0.24 1.35 0.00 0.00 0.48 0.00 0.00 55.95 57.54 1j5i s SER 72 Cb 0.07 -2.45 0.00 0.00 0.10 0.00 0.00 66.02 63.73 1j5i s SER 72 CO 0.75 -0.08 0.00 0.49 0.98 0.00 0.00 173.24 175.38 1j5i n PHE 73 N 3.42 0.00 -3.06 5.02 3.72 -0.13 -4.95 117.46 121.47 1j5i n PHE 73 Ca -0.01 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.96 1j5i n PHE 73 Cb 0.51 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.99 1j5i n PHE 73 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 1j5i s GLU 74 N -1.96 3.23 0.60 -1.08 2.12 -1.23 -0.52 118.70 119.86 1j5i s GLU 74 Ca 0.00 -0.54 -0.03 0.00 0.36 0.00 0.00 54.97 54.75 1j5i s GLU 74 Cb 0.00 -4.03 0.03 0.00 0.26 0.00 0.00 34.13 30.39 1j5i s GLU 74 CO 0.00 -1.21 0.87 0.20 -0.54 0.00 0.00 175.26 174.58 1j5i s GLY 75 N 2.48 1.68 -0.03 -1.50 0.00 -0.39 -2.91 107.32 106.66 1j5i s GLY 75 Ca 0.22 -0.98 0.01 0.00 0.00 0.00 0.00 44.72 43.97 1j5i s GLY 75 CO 0.16 -0.67 -0.04 -0.11 0.00 0.00 0.00 173.10 172.44 1j5i s PHE 76 N -2.96 0.58 1.15 1.90 -0.71 0.13 -1.34 117.98 116.73 1j5i s PHE 76 Ca 0.56 -0.13 -0.17 0.00 -1.04 0.00 0.00 56.93 56.15 1j5i s PHE 76 Cb -0.10 -0.51 0.21 0.00 -1.21 0.00 0.00 43.02 41.41 1j5i s PHE 76 CO 0.42 -0.12 0.40 1.28 -1.34 0.00 0.00 175.22 175.87 1j5i n LEU 77 N 3.72 -1.41 0.08 -1.99 7.99 0.26 -0.63 117.00 125.02 1j5i n LEU 77 Ca -0.22 -0.42 -0.02 0.00 -0.01 0.00 0.00 56.01 55.34 1j5i n LEU 77 Cb 0.53 -0.89 -0.05 0.00 -0.11 0.00 0.00 43.42 42.89 1j5i n LEU 77 CO 0.24 -3.51 0.14 2.19 -1.51 0.00 0.00 177.39 174.94 1j5i h PHE 78 N -2.76 0.00 0.75 -1.77 -0.00 -1.23 -3.35 116.94 108.59 1j5i h PHE 78 Ca -0.37 0.00 -0.04 0.00 -0.00 0.00 0.00 57.97 57.56 1j5i h PHE 78 Cb 1.07 0.00 0.01 0.00 -0.00 0.00 0.00 35.95 37.02 1j5i h PHE 78 CO -2.22 0.71 -0.36 0.22 -0.00 0.00 0.00 178.31 176.65 1j5i h ASP 79 N 0.00 -0.85 0.00 -0.68 -0.00 -1.91 -3.47 116.42 109.51 1j5i h ASP 79 Ca -0.06 0.01 0.00 0.00 -0.00 0.00 0.00 57.03 56.98 1j5i h ASP 79 Cb 1.59 0.22 0.00 0.00 -0.00 0.00 0.00 39.33 41.14 1j5i h ASP 79 CO 0.08 -0.57 0.00 0.61 -0.00 0.00 0.00 179.24 179.37 1j5i n GLY 80 N -1.32 0.33 3.78 -0.78 0.00 -1.26 -5.14 105.19 100.80 1j5i n GLY 80 Ca -0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.51 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 3.48 0.19 2.61 2.01 -1.26 -4.79 115.64 117.88 1j5i s THR 81 Ca 0.00 1.12 -0.28 0.00 0.31 0.00 0.00 61.69 62.84 1j5i s THR 81 Cb 0.00 -3.57 -0.08 0.00 0.01 0.00 0.00 72.50 68.86 1j5i s THR 81 CO 0.00 -0.01 0.88 0.00 -0.69 0.00 0.00 174.62 174.80 1j5i s ARG 82 N -2.60 4.73 0.00 4.92 1.70 -1.26 -0.57 118.95 125.86 1j5i s ARG 82 Ca 0.60 1.35 0.00 0.00 -0.47 0.00 0.00 55.73 57.22 1j5i s ARG 82 Cb -0.24 -3.29 0.00 0.00 -0.57 0.00 0.00 34.95 30.85 1j5i s ARG 82 CO 0.30 0.50 0.00 1.87 -1.08 0.00 0.00 175.30 176.89 1j5i n TRP 83 N 1.70 0.00 0.00 5.89 -0.00 -0.45 -4.77 117.44 119.81 1j5i n TRP 83 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.47 1j5i n TRP 83 Cb 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.79 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 2.93 -0.83 5.00 5.87 0.00 -1.09 -4.89 105.19 112.18 1j5i n GLY 84 Ca 0.00 0.35 0.00 0.00 0.00 0.00 0.00 46.02 46.37 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 -1.26 114.28 113.33 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 -3.45 12.58 0.31 0.32 -4.07 118.33 124.03 1j5i n VAL 86 Ca 0.00 0.00 -0.23 0.00 -0.01 0.00 0.00 64.34 64.10 1j5i n VAL 86 Cb 0.00 0.00 -0.11 0.00 -0.91 0.00 0.00 33.84 32.82 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 0.00 2.39 -0.63 4.52 2.15 -1.26 -0.96 116.67 122.88 1j5i s ASP 87 Ca 0.00 -1.35 -0.18 0.00 0.43 0.00 0.00 52.55 51.44 1j5i s ASP 87 Cb 0.00 0.09 -0.16 0.00 -0.30 0.00 0.00 42.92 42.55 1j5i s ASP 87 CO 0.00 -0.36 1.85 0.00 -0.17 0.00 0.00 175.17 176.48 1j5i n THR 89 N 5.71 0.00 -0.09 0.00 5.66 -1.26 -4.60 114.28 119.70 1j5i n THR 89 Ca 0.45 -0.21 -0.13 0.00 -3.05 0.00 0.00 64.05 61.11 1j5i n THR 89 Cb 0.32 0.76 -0.06 0.00 -1.55 0.00 0.00 70.33 69.79 1j5i n THR 89 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1j5i h THR 90 N 0.00 0.48 -3.32 1.09 1.03 -1.98 -3.46 112.91 106.75 1j5i h THR 90 Ca 0.00 -1.59 -0.57 0.00 -0.01 0.00 0.00 66.41 64.23 1j5i h THR 90 Cb 0.44 1.14 -0.07 0.00 -1.07 0.00 0.00 68.15 68.59 1j5i h THR 90 CO 0.00 0.16 -0.10 0.00 -0.01 0.00 0.00 175.52 175.57 1j5i s ALA 91 N -2.54 3.47 -0.12 0.00 0.00 -1.26 -5.00 121.76 116.30 1j5i s ALA 91 Ca -0.21 -0.13 -0.29 0.00 0.00 0.00 0.00 51.96 51.33 1j5i s ALA 91 Cb 0.04 -2.68 -0.06 0.00 0.00 0.00 0.00 23.12 20.42 1j5i s ALA 91 CO 0.40 0.02 1.96 0.00 0.00 0.00 0.00 175.76 178.14 1j5i s ALA 92 N 0.52 3.19 -0.15 0.00 0.00 -1.26 -4.89 121.76 119.16 1j5i s ALA 92 Ca 0.28 0.90 -0.28 0.00 0.00 0.00 0.00 51.96 52.86 1j5i s ALA 92 Cb -0.16 -3.93 -0.01 0.00 0.00 0.00 0.00 23.12 19.02 1j5i s ALA 92 CO 0.12 -2.12 0.93 0.00 0.00 0.00 0.00 175.76 174.69 1j5i s GLN 94 N 2.20 3.95 -0.35 0.00 -2.07 -0.58 -1.11 119.66 121.69 1j5i s GLN 94 Ca 0.43 -0.33 -0.23 0.00 -1.82 0.00 0.00 55.36 53.41 1j5i s GLN 94 Cb -0.17 -3.49 0.01 0.00 -1.09 0.00 0.00 33.01 28.26 1j5i s GLN 94 CO 0.14 -0.02 0.78 0.08 -1.32 0.00 0.00 175.29 174.94 1j5i s VAL 95 N 1.26 4.75 0.22 3.63 1.01 0.06 -0.81 120.40 130.53 1j5i s VAL 95 Ca 0.07 0.92 -0.23 0.00 0.00 0.00 0.00 61.98 62.74 1j5i s VAL 95 Cb -0.14 -4.19 0.04 0.00 0.00 0.00 0.00 36.38 32.09 1j5i s VAL 95 CO 0.06 -0.40 0.84 -0.83 0.00 0.00 0.00 175.10 174.77 1j5i s GLY 96 N 1.80 -0.15 -0.14 4.51 0.00 0.40 -1.32 107.32 112.42 1j5i s GLY 96 Ca 0.31 -0.11 -0.04 0.00 0.00 0.00 0.00 44.72 44.88 1j5i s GLY 96 CO 0.16 -0.04 -0.01 0.48 0.00 0.00 0.00 173.10 173.69 1j5i s LEU 97 N -2.94 3.45 0.16 0.66 2.34 -1.26 -0.23 118.68 120.86 1j5i s LEU 97 Ca 0.12 -0.00 0.04 0.00 0.06 0.00 0.00 54.13 54.34 1j5i s LEU 97 Cb -0.04 -1.82 -0.04 0.00 -0.56 0.00 0.00 46.19 43.73 1j5i s LEU 97 CO 0.05 0.24 0.20 -0.94 -1.06 0.00 0.00 176.35 174.84 1j5i s SER 98 N -0.06 5.86 0.88 1.48 1.04 -0.06 -4.64 113.70 118.19 1j5i s SER 98 Ca 0.03 -0.00 -0.10 0.00 0.48 0.00 0.00 55.95 56.35 1j5i s SER 98 Cb -0.13 -1.64 0.12 0.00 0.10 0.00 0.00 66.02 64.47 1j5i s SER 98 CO 0.02 0.06 1.12 -1.81 0.98 0.00 0.00 173.24 173.61 1j5i s ASP 99 N -3.16 3.40 0.00 7.02 1.01 0.33 -0.83 116.67 124.44 1j5i s ASP 99 Ca 0.32 1.99 0.27 0.00 0.71 0.00 0.00 52.55 55.85 1j5i s ASP 99 Cb -0.10 -2.52 1.48 0.00 1.01 0.00 0.00 42.92 42.79 1j5i s ASP 99 CO 0.26 -2.76 1.94 0.00 0.21 0.00 0.00 175.17 174.81 1j5i n ALA 100 N -4.00 2.42 -1.07 5.23 0.00 -1.26 -4.15 120.51 117.67 1j5i n ALA 100 Ca 0.10 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1j5i n ALA 100 Cb 0.53 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.54 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 -1.15 0.00 -2.30 0.00 0.00 -1.26 -5.00 120.51 110.80 1j5i n ALA 101 Ca 0.16 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.59 1j5i n ALA 101 Cb 0.16 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.63 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 2.85 -0.04 3.20 0.00 0.00 -1.26 -5.15 105.19 104.80 1j5i n GLY 102 Ca 0.00 -0.04 -0.12 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.36 -0.09 0.00 1.61 0.01 -1.26 -5.03 114.94 109.81 1j5i s ASN 103 Ca 0.02 -0.10 0.00 0.00 -0.71 0.00 0.00 52.86 52.07 1j5i s ASN 103 Cb 0.11 0.28 0.00 0.00 0.41 0.00 0.00 41.25 42.05 1j5i s ASN 103 CO -0.03 -0.47 0.00 0.61 -1.51 0.00 0.00 177.10 175.70 1j5i n GLY 104 N 1.13 -1.89 0.00 0.66 0.00 -1.26 0.12 105.19 103.95 1j5i n GLY 104 Ca -0.21 0.91 0.10 0.00 0.00 0.00 0.00 46.02 46.82 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 0.00 0.75 -2.95 1.61 -0.04 -1.26 -4.74 135.00 128.38 1j5i n PRO 105 Ca 0.00 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.13 1j5i n PRO 105 Cb 0.00 -1.42 -0.07 0.00 -0.04 0.00 0.00 33.50 31.98 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 -2.00 4.15 0.00 0.54 0.41 -1.26 -5.01 118.70 115.53 1j5i s GLU 106 Ca 0.30 0.94 0.00 0.00 -0.41 0.00 0.00 54.97 55.80 1j5i s GLU 106 Cb 0.14 -2.29 0.00 0.00 -1.78 0.00 0.00 34.13 30.20 1j5i s GLU 106 CO 0.23 0.05 0.00 0.41 -0.49 0.00 0.00 175.26 175.46 1j5i n GLY 107 N -0.51 4.73 3.60 -1.39 0.00 -1.26 -4.23 105.19 106.13 1j5i n GLY 107 Ca 0.06 -1.14 -0.35 0.00 0.00 0.00 0.00 46.02 44.59 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 -1.80 4.66 -0.85 1.61 0.11 -0.44 -4.73 120.40 118.97 1j5i s VAL 108 Ca 0.00 -0.08 -0.25 0.00 -2.93 0.00 0.00 61.98 58.72 1j5i s VAL 108 Cb 0.00 -3.11 -0.07 0.00 -1.53 0.00 0.00 36.38 31.67 1j5i s VAL 108 CO 0.00 0.45 2.07 0.00 -3.33 0.00 0.00 175.10 174.29 1j5i s ALA 109 N 0.52 1.43 0.59 1.54 0.00 -1.26 -0.76 121.76 123.82 1j5i s ALA 109 Ca 0.03 -1.25 -0.11 0.00 0.00 0.00 0.00 51.96 50.63 1j5i s ALA 109 Cb -0.13 -4.55 -0.04 0.00 0.00 0.00 0.00 23.12 18.40 1j5i s ALA 109 CO 0.01 -5.06 0.99 -1.50 0.00 0.00 0.00 175.76 170.20 1j5i s ILE 110 N 11.31 4.73 0.00 0.00 1.10 -0.27 -4.83 121.20 133.24 1j5i s ILE 110 Ca 0.76 0.80 0.00 0.00 -0.51 0.00 0.00 60.65 61.71 1j5i s ILE 110 Cb -0.09 -3.86 0.00 0.00 0.15 0.00 0.00 42.46 38.66 1j5i s ILE 110 CO 0.03 -1.07 0.00 -1.54 -2.11 0.00 0.00 174.94 170.25 1j5i n SER 111 N -2.60 0.00 -3.59 4.50 3.41 -0.82 -4.06 113.62 110.46 1j5i n SER 111 Ca 0.05 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.63 1j5i n SER 111 Cb 0.54 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.44 1j5i n SER 111 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1j5i s PHE 112 N 0.00 -1.18 -0.18 7.33 -0.71 -0.77 -1.72 117.98 120.75 1j5i s PHE 112 Ca 0.00 1.96 0.00 0.00 -1.04 0.00 0.00 56.93 57.85 1j5i s PHE 112 Cb 0.00 0.60 0.00 0.00 -1.21 0.00 0.00 43.02 42.41 1j5i s PHE 112 CO 0.00 -0.63 0.04 -1.71 -1.34 0.00 0.00 175.22 171.58