#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 3.67 0.77 0.00 0.00 -1.26 -5.13 121.76 119.81 1j5i s ALA 2 Ca 0.00 -2.07 -0.11 0.00 0.00 0.00 0.00 51.96 49.77 1j5i s ALA 2 Cb 0.00 -0.49 0.06 0.00 0.00 0.00 0.00 23.12 22.68 1j5i s ALA 2 CO 0.00 -0.18 1.09 -1.25 0.00 0.00 0.00 175.76 175.42 1j5i s PRO 3 N -3.94 2.28 0.00 0.00 0.04 -1.26 -4.59 135.00 127.52 1j5i s PRO 3 Ca 0.42 0.73 0.00 0.00 0.04 0.00 0.00 61.00 62.19 1j5i s PRO 3 Cb 0.03 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.63 1j5i s PRO 3 CO 0.24 -1.51 0.00 0.25 0.04 0.00 0.00 177.00 176.02 1j5i n THR 4 N -3.37 0.00 -2.83 1.26 -2.24 -0.77 -4.07 114.28 102.27 1j5i n THR 4 Ca 0.07 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.43 1j5i n THR 4 Cb 0.55 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.75 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 -0.82 3.57 -0.03 6.98 0.00 -1.23 -1.08 121.76 129.15 1j5i s ALA 5 Ca 0.00 0.05 -0.05 0.00 0.00 0.00 0.00 51.96 51.96 1j5i s ALA 5 Cb 0.00 -3.32 0.01 0.00 0.00 0.00 0.00 23.12 19.80 1j5i s ALA 5 CO 0.00 -0.79 0.12 0.95 0.00 0.00 0.00 175.76 176.04 1j5i s THR 6 N 2.51 0.03 0.07 0.00 -4.23 -0.13 -4.44 115.64 109.46 1j5i s THR 6 Ca 0.39 -0.26 -0.31 0.00 -1.18 0.00 0.00 61.69 60.34 1j5i s THR 6 Cb -0.16 -0.26 -0.06 0.00 1.34 0.00 0.00 72.50 73.36 1j5i s THR 6 CO 0.10 -0.14 1.19 0.54 -0.54 0.00 0.00 174.62 175.77 1j5i s VAL 7 N -0.44 4.00 0.08 2.29 0.11 -1.26 -0.79 120.40 124.38 1j5i s VAL 7 Ca -0.05 1.46 -0.15 0.00 -2.93 0.00 0.00 61.98 60.31 1j5i s VAL 7 Cb -0.03 -3.94 -0.03 0.00 -1.53 0.00 0.00 36.38 30.85 1j5i s VAL 7 CO 0.00 0.13 0.94 0.41 -3.33 0.00 0.00 175.10 173.25 1j5i n THR 8 N 3.76 -0.32 -0.06 5.04 -1.04 -0.54 -4.43 114.28 116.70 1j5i n THR 8 Ca 0.08 1.47 0.00 0.00 -2.04 0.00 0.00 64.05 63.56 1j5i n THR 8 Cb 0.46 -1.84 0.00 0.00 -1.82 0.00 0.00 70.33 67.13 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 -4.19 0.89 0.00 -2.82 -0.04 -1.26 -5.05 135.00 122.52 1j5i n PRO 9 Ca 0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 1j5i n PRO 9 Cb 0.12 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.58 1j5i n PRO 9 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1j5i n SER 10 N -0.22 0.00 -4.68 3.54 3.41 -1.26 -5.05 113.62 109.36 1j5i n SER 10 Ca 0.00 0.00 -0.24 0.00 -0.26 0.00 0.00 58.87 58.37 1j5i n SER 10 Cb 0.00 0.26 -0.07 0.00 -0.26 0.00 0.00 64.21 64.14 1j5i n SER 10 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1j5i s SER 11 N -1.93 4.79 0.00 4.04 0.15 -1.26 -1.84 113.70 117.65 1j5i s SER 11 Ca 0.00 -0.49 0.00 0.00 0.70 0.00 0.00 55.95 56.16 1j5i s SER 11 Cb 0.00 -1.00 0.00 0.00 -1.71 0.00 0.00 66.02 63.31 1j5i s SER 11 CO 0.00 0.03 0.00 0.61 1.20 0.00 0.00 173.24 175.08 1j5i n GLY 12 N -0.67 0.84 3.88 9.45 0.00 -1.14 -4.86 105.19 112.68 1j5i n GLY 12 Ca -0.08 -0.60 -0.32 0.00 0.00 0.00 0.00 46.02 45.02 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 0.00 4.15 0.20 0.99 1.43 -0.72 -5.05 118.68 119.68 1j5i s LEU 13 Ca 0.00 0.92 0.10 0.00 -1.03 0.00 0.00 54.13 54.12 1j5i s LEU 13 Cb 0.00 -3.70 -0.04 0.00 0.03 0.00 0.00 46.19 42.48 1j5i s LEU 13 CO 0.00 -0.09 -0.19 -0.55 0.23 0.00 0.00 176.35 175.75 1j5i s SER 14 N -2.43 2.99 -0.91 2.29 0.15 -1.26 -4.84 113.70 109.69 1j5i s SER 14 Ca 0.47 -0.92 -0.25 0.00 0.70 0.00 0.00 55.95 55.95 1j5i s SER 14 Cb -0.11 -0.20 -0.23 0.00 -1.71 0.00 0.00 66.02 63.77 1j5i s SER 14 CO 0.22 -0.01 1.97 -0.90 1.20 0.00 0.00 173.24 175.72 1j5i n ASP 15 N -0.02 1.00 0.00 5.45 5.75 -1.22 -0.59 116.55 126.92 1j5i n ASP 15 Ca -0.10 -2.38 0.00 0.00 -0.01 0.00 0.00 54.79 52.29 1j5i n ASP 15 Cb 0.58 -1.54 0.00 0.00 -1.03 0.00 0.00 41.12 39.13 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 5.90 0.44 3.49 6.12 0.00 0.20 -4.70 105.19 116.63 1j5i n GLY 16 Ca 0.38 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.52 4.57 -0.23 2.61 2.01 0.24 -4.69 115.64 119.63 1j5i s THR 17 Ca 0.00 -0.06 -0.29 0.00 0.31 0.00 0.00 61.69 61.65 1j5i s THR 17 Cb 0.00 -4.46 -0.01 0.00 0.01 0.00 0.00 72.50 68.04 1j5i s THR 17 CO 0.00 -1.02 1.38 -0.69 -0.69 0.00 0.00 174.62 173.60 1j5i s VAL 18 N 3.44 4.05 0.23 3.82 1.01 -1.26 0.63 120.40 132.33 1j5i s VAL 18 Ca 0.24 1.22 -0.01 0.00 0.00 0.00 0.00 61.98 63.43 1j5i s VAL 18 Cb -0.15 -3.97 -0.03 0.00 0.00 0.00 0.00 36.38 32.22 1j5i s VAL 18 CO 0.16 -0.31 0.21 0.68 0.00 0.00 0.00 175.10 175.84 1j5i s VAL 19 N 4.26 0.00 -0.14 2.92 -7.23 0.16 -4.97 120.40 115.40 1j5i s VAL 19 Ca 0.60 -1.90 0.00 0.00 -1.81 0.00 0.00 61.98 58.87 1j5i s VAL 19 Cb -0.21 -2.47 -0.01 0.00 0.56 0.00 0.00 36.38 34.25 1j5i s VAL 19 CO 0.22 0.00 -0.15 -0.54 -0.31 0.00 0.00 175.10 174.32 1j5i s LYS 20 N -3.98 3.26 -0.43 4.82 1.02 -1.26 -1.32 119.74 121.86 1j5i s LYS 20 Ca 0.37 -0.73 -0.19 0.00 0.02 0.00 0.00 55.97 55.43 1j5i s LYS 20 Cb 0.05 -2.62 0.02 0.00 -0.52 0.00 0.00 37.83 34.77 1j5i s LYS 20 CO 0.14 0.09 0.54 0.08 -0.92 0.00 0.00 175.35 175.28 1j5i s VAL 21 N 0.65 4.95 -0.15 3.17 1.01 0.36 -1.46 120.40 128.94 1j5i s VAL 21 Ca -0.08 -0.08 -0.21 0.00 0.00 0.00 0.00 61.98 61.61 1j5i s VAL 21 Cb -0.16 -4.12 -0.03 0.00 0.00 0.00 0.00 36.38 32.07 1j5i s VAL 21 CO 0.02 -0.50 0.64 0.00 0.00 0.00 0.00 175.10 175.26 1j5i s ALA 22 N 2.49 3.47 -0.20 5.51 0.00 0.03 -0.82 121.76 132.25 1j5i s ALA 22 Ca 0.18 -0.13 -0.07 0.00 0.00 0.00 0.00 51.96 51.94 1j5i s ALA 22 Cb -0.15 -2.93 -0.04 0.00 0.00 0.00 0.00 23.12 19.99 1j5i s ALA 22 CO 0.16 -0.35 0.06 0.20 0.00 0.00 0.00 175.76 175.83 1j5i s GLY 23 N 1.00 1.86 -0.31 0.00 0.00 0.19 -0.96 107.32 109.10 1j5i s GLY 23 Ca 0.31 -0.84 0.03 0.00 0.00 0.00 0.00 44.72 44.22 1j5i s GLY 23 CO 0.13 0.16 0.02 0.00 0.00 0.00 0.00 173.10 173.40 1j5i s ALA 24 N 0.67 2.61 -0.29 3.20 0.00 -0.24 -1.23 121.76 126.48 1j5i s ALA 24 Ca 0.03 -2.20 0.00 0.00 0.00 0.00 0.00 51.96 49.79 1j5i s ALA 24 Cb -0.13 -1.82 0.00 0.00 0.00 0.00 0.00 23.12 21.17 1j5i s ALA 24 CO 0.02 -1.56 0.00 0.41 0.00 0.00 0.00 175.76 174.63 1j5i n GLY 25 N 4.39 0.27 0.00 0.00 0.00 0.17 -1.84 105.19 108.17 1j5i n GLY 25 Ca -0.01 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.24 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 -0.46 0.00 -0.63 0.99 0.00 -0.86 -4.67 117.00 111.37 1j5i n LEU 26 Ca -0.04 0.00 0.48 0.00 0.00 0.00 0.00 56.01 56.45 1j5i n LEU 26 Cb 0.50 0.00 0.73 0.00 0.00 0.00 0.00 43.42 44.65 1j5i n LEU 26 CO 0.05 0.00 1.32 0.00 0.00 0.00 0.00 177.39 178.76 1j5i n GLN 27 N 0.00 -0.00 -1.79 1.96 1.13 -1.26 -4.70 117.38 112.72 1j5i n GLN 27 Ca 0.00 0.98 -0.05 0.00 -1.94 0.00 0.00 57.00 55.99 1j5i n GLN 27 Cb 0.00 -2.24 0.00 0.00 0.11 0.00 0.00 30.24 28.11 1j5i n GLN 27 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1j5i n ALA 28 N -2.81 -1.47 0.00 -1.58 0.00 -1.26 -1.86 120.51 111.53 1j5i n ALA 28 Ca 0.40 0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.88 1j5i n ALA 28 Cb 1.80 -0.42 0.00 0.00 0.00 0.00 0.00 19.45 20.83 1j5i n ALA 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1j5i n GLY 29 N 0.60 3.00 0.00 0.00 0.00 -0.42 -4.76 105.19 103.60 1j5i n GLY 29 Ca -0.01 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.13 1j5i n GLY 29 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1j5i n THR 30 N 0.00 0.00 -3.56 2.61 -1.04 -0.78 -4.85 114.28 106.67 1j5i n THR 30 Ca 0.00 0.00 -0.17 0.00 -2.04 0.00 0.00 64.05 61.84 1j5i n THR 30 Cb 0.00 -1.46 -0.06 0.00 -1.82 0.00 0.00 70.33 66.99 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 -2.91 -1.59 0.22 2.41 0.00 -1.26 -1.67 121.76 116.95 1j5i s ALA 31 Ca 0.00 1.12 -0.05 0.00 0.00 0.00 0.00 51.96 53.02 1j5i s ALA 31 Cb 0.00 0.04 -0.03 0.00 0.00 0.00 0.00 23.12 23.14 1j5i s ALA 31 CO 0.00 -0.37 0.27 0.71 0.00 0.00 0.00 175.76 176.37 1j5i s TYR 32 N -1.31 0.86 -0.28 0.00 2.02 0.73 -4.86 117.35 114.50 1j5i s TYR 32 Ca -0.11 -1.13 -0.20 0.00 -0.37 0.00 0.00 57.07 55.26 1j5i s TYR 32 Cb -0.01 -0.27 -0.01 0.00 -0.40 0.00 0.00 41.96 41.26 1j5i s TYR 32 CO 0.08 -0.78 0.61 -0.51 -1.57 0.00 0.00 175.55 173.38 1j5i s ASP 33 N -3.11 6.51 0.29 2.29 1.11 -0.81 -0.18 116.67 122.77 1j5i s ASP 33 Ca 0.33 0.52 -0.29 0.00 0.18 0.00 0.00 52.55 53.29 1j5i s ASP 33 Cb 0.04 -2.32 -0.09 0.00 1.07 0.00 0.00 42.92 41.61 1j5i s ASP 33 CO 0.11 -0.41 1.04 -0.69 1.18 0.00 0.00 175.17 176.39 1j5i s VAL 34 N 2.52 3.73 0.00 -1.27 1.01 0.22 -1.04 120.40 125.58 1j5i s VAL 34 Ca 0.25 1.66 0.00 0.00 0.00 0.00 0.00 61.98 63.88 1j5i s VAL 34 Cb -0.15 -4.02 0.00 0.00 0.00 0.00 0.00 36.38 32.21 1j5i s VAL 34 CO 0.10 0.33 0.00 0.61 0.00 0.00 0.00 175.10 176.15 1j5i n GLY 35 N 1.11 1.94 3.43 4.51 0.00 0.13 -0.23 105.19 116.08 1j5i n GLY 35 Ca -0.00 -0.65 -0.44 0.00 0.00 0.00 0.00 46.02 44.93 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 3.11 0.07 1.61 -2.07 -1.26 -1.26 119.66 117.87 1j5i s GLN 36 Ca 0.00 -0.97 0.03 0.00 -1.82 0.00 0.00 55.36 52.60 1j5i s GLN 36 Cb 0.00 -4.17 -0.04 0.00 -1.09 0.00 0.00 33.01 27.71 1j5i s GLN 36 CO 0.00 -1.46 0.06 0.00 -1.32 0.00 0.00 175.29 172.57 1j5i s ALA 38 N -1.34 -2.18 -0.43 0.00 0.00 -0.07 -1.25 121.76 116.49 1j5i s ALA 38 Ca 0.28 1.01 -0.28 0.00 0.00 0.00 0.00 51.96 52.96 1j5i s ALA 38 Cb -0.12 0.19 -0.02 0.00 0.00 0.00 0.00 23.12 23.18 1j5i s ALA 38 CO 0.20 -0.90 1.79 1.67 0.00 0.00 0.00 175.76 178.52 1j5i s TRP 39 N -2.43 1.81 -0.18 0.00 1.48 -1.26 0.55 118.94 118.92 1j5i s TRP 39 Ca 0.13 0.70 -0.16 0.00 -1.06 0.00 0.00 56.10 55.70 1j5i s TRP 39 Cb 0.03 -4.12 -0.22 0.00 -1.16 0.00 0.00 33.47 28.00 1j5i s TRP 39 CO -0.04 -2.64 0.27 1.55 -4.06 0.00 0.00 176.95 172.03 1j5i n VAL 40 N 7.33 1.63 -1.44 -0.66 3.14 -0.18 -4.62 118.33 123.54 1j5i n VAL 40 Ca 0.22 -0.26 0.00 0.00 -2.96 0.00 0.00 64.34 61.33 1j5i n VAL 40 Cb 0.49 -1.93 0.00 0.00 -1.06 0.00 0.00 33.84 31.34 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 -4.08 0.00 -4.58 6.55 -0.08 -1.17 -4.88 116.55 108.31 1j5i n ASP 41 Ca -0.32 -0.37 -0.19 0.00 -1.51 0.00 0.00 54.79 52.39 1j5i n ASP 41 Cb 0.82 0.00 -0.09 0.00 2.34 0.00 0.00 41.12 44.19 1j5i n ASP 41 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 1j5i s THR 42 N 0.69 3.21 -1.05 5.18 2.01 -1.26 -2.81 115.64 121.62 1j5i s THR 42 Ca 0.00 -0.34 0.00 0.00 0.31 0.00 0.00 61.69 61.66 1j5i s THR 42 Cb 0.00 -4.13 0.00 0.00 0.01 0.00 0.00 72.50 68.38 1j5i s THR 42 CO 0.00 -0.39 0.00 0.61 -0.69 0.00 0.00 174.62 174.15 1j5i n GLY 43 N 6.10 1.10 3.52 4.40 0.00 -1.26 -4.96 105.19 114.10 1j5i n GLY 43 Ca 0.43 -0.33 -0.43 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.23 4.94 -0.49 1.61 1.01 -1.12 -4.95 120.40 119.17 1j5i s VAL 44 Ca 0.00 0.03 -0.26 0.00 0.00 0.00 0.00 61.98 61.75 1j5i s VAL 44 Cb 0.00 -4.11 -0.05 0.00 0.00 0.00 0.00 36.38 32.22 1j5i s VAL 44 CO 0.00 -0.47 2.24 -0.76 0.00 0.00 0.00 175.10 176.12 1j5i s LEU 45 N 2.53 3.39 -0.03 3.92 1.43 -1.26 -1.01 118.68 127.65 1j5i s LEU 45 Ca 0.19 0.98 0.04 0.00 -1.03 0.00 0.00 54.13 54.31 1j5i s LEU 45 Cb -0.15 -2.63 -0.03 0.00 0.03 0.00 0.00 46.19 43.41 1j5i s LEU 45 CO 0.16 -2.65 -0.15 0.00 0.23 0.00 0.00 176.35 173.94 1j5i s ALA 46 N 11.00 2.67 0.16 4.21 0.00 0.19 -2.09 121.76 137.91 1j5i s ALA 46 Ca 0.90 -1.03 0.03 0.00 0.00 0.00 0.00 51.96 51.87 1j5i s ALA 46 Cb -0.17 -0.93 -0.04 0.00 0.00 0.00 0.00 23.12 21.98 1j5i s ALA 46 CO 0.26 0.56 0.25 0.00 0.00 0.00 0.00 175.76 176.83 1j5i s ASN 48 N -3.28 5.38 0.31 0.00 0.02 -1.11 -0.61 114.94 115.66 1j5i s ASN 48 Ca 0.34 1.06 0.26 0.00 -1.02 0.00 0.00 52.86 53.49 1j5i s ASN 48 Cb -0.11 -1.85 0.89 0.00 0.02 0.00 0.00 41.25 40.21 1j5i s ASN 48 CO 0.27 -1.36 1.76 1.55 0.02 0.00 0.00 177.10 179.34 1j5i h PRO 49 N -0.64 0.00 -0.50 -0.60 0.13 -1.90 -2.54 132.00 125.95 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 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1j5i h PRO 49 CO 0.64 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.41 1j5i n ALA 50 N -1.87 2.72 0.75 -0.56 0.00 -1.26 -4.29 120.51 115.99 1j5i n ALA 50 Ca 0.03 -1.56 0.05 0.00 0.00 0.00 0.00 53.44 51.96 1j5i n ALA 50 Cb 0.35 -0.77 0.15 0.00 0.00 0.00 0.00 19.45 19.18 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 2.10 -4.23 0.00 -0.08 -0.96 -4.64 116.55 109.45 1j5i n ASP 51 Ca 0.21 -2.12 -0.42 0.00 -1.51 0.00 0.00 54.79 50.95 1j5i n ASP 51 Cb 0.72 -0.32 -0.06 0.00 2.34 0.00 0.00 41.12 43.81 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 -1.63 3.58 -0.42 -0.67 0.08 -1.18 -2.86 117.98 114.88 1j5i s PHE 52 Ca 0.22 -2.25 0.04 0.00 0.12 0.00 0.00 56.93 55.07 1j5i s PHE 52 Cb 0.13 -3.55 0.17 0.00 -0.57 0.00 0.00 43.02 39.20 1j5i s PHE 52 CO 0.12 -0.93 0.41 0.45 -0.10 0.00 0.00 175.22 175.17 1j5i s SER 53 N 1.67 0.93 0.28 1.36 0.15 0.69 -4.94 113.70 113.83 1j5i s SER 53 Ca 0.16 -2.66 -0.26 0.00 0.70 0.00 0.00 55.95 53.89 1j5i s SER 53 Cb -0.16 0.08 -0.16 0.00 -1.71 0.00 0.00 66.02 64.07 1j5i s SER 53 CO -0.06 -0.16 0.41 -0.24 1.20 0.00 0.00 173.24 174.39 1j5i n SER 54 N 3.03 -1.61 -3.49 5.45 2.88 -1.26 -0.61 113.62 118.01 1j5i n SER 54 Ca 0.25 1.03 -0.11 0.00 -1.33 0.00 0.00 58.87 58.71 1j5i n SER 54 Cb 0.49 -0.95 -0.02 0.00 -0.75 0.00 0.00 64.21 62.97 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 -1.23 0.00 0.06 2.46 1.01 0.75 -4.69 120.40 118.76 1j5i s VAL 55 Ca 0.62 -0.16 0.03 0.00 0.00 0.00 0.00 61.98 62.47 1j5i s VAL 55 Cb -0.82 -1.14 -0.03 0.00 0.00 0.00 0.00 36.38 34.39 1j5i s VAL 55 CO 0.58 -0.01 -0.10 0.28 0.00 0.00 0.00 175.10 175.85 1j5i s THR 56 N -3.78 0.76 -0.12 3.92 -1.32 -1.26 -0.19 115.64 113.65 1j5i s THR 56 Ca 0.02 -1.28 -0.04 0.00 -1.21 0.00 0.00 61.69 59.18 1j5i s THR 56 Cb -0.02 -0.91 -0.04 0.00 -1.51 0.00 0.00 72.50 70.03 1j5i s THR 56 CO -0.10 -0.40 0.03 0.00 -2.21 0.00 0.00 174.62 171.94 1j5i s ALA 57 N -1.67 3.37 0.58 11.08 0.00 -0.67 -4.56 121.76 129.89 1j5i s ALA 57 Ca -0.04 -0.77 -0.17 0.00 0.00 0.00 0.00 51.96 50.98 1j5i s ALA 57 Cb -0.08 -1.66 -0.04 0.00 0.00 0.00 0.00 23.12 21.34 1j5i s ALA 57 CO 0.00 0.47 1.08 -0.51 0.00 0.00 0.00 175.76 176.81 1j5i s ASP 58 N -0.51 5.71 0.47 0.00 -0.00 -0.03 -1.30 116.67 121.01 1j5i s ASP 58 Ca 0.09 1.97 0.41 0.00 -0.00 0.00 0.00 52.55 55.02 1j5i s ASP 58 Cb -0.12 -2.55 1.52 0.00 -0.00 0.00 0.00 42.92 41.77 1j5i s ASP 58 CO 0.02 -1.22 1.44 0.00 -0.00 0.00 0.00 175.17 175.41 1j5i n ALA 59 N -1.74 1.58 -0.65 5.23 0.00 -1.26 0.35 120.51 124.02 1j5i n ALA 59 Ca 0.10 0.67 -0.13 0.00 0.00 0.00 0.00 53.44 54.08 1j5i n ALA 59 Cb 0.52 -1.03 0.04 0.00 0.00 0.00 0.00 19.45 18.99 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 -4.04 5.71 -3.14 0.00 5.15 -1.26 -4.52 115.26 113.16 1j5i n ASN 60 Ca 0.40 -2.91 -0.14 0.00 -0.60 0.00 0.00 54.58 51.33 1j5i n ASN 60 Cb 1.72 -0.98 -0.03 0.00 -0.53 0.00 0.00 39.78 39.96 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 0.38 -0.45 3.42 8.20 0.00 1.07 -4.09 105.19 113.72 1j5i n GLY 61 Ca 0.25 0.02 -0.44 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.37 6.19 -1.01 1.61 0.01 -0.97 0.43 113.70 117.59 1j5i s SER 62 Ca 0.28 -1.19 -0.05 0.00 1.31 0.00 0.00 55.95 56.30 1j5i s SER 62 Cb -0.16 -2.38 0.26 0.00 0.21 0.00 0.00 66.02 63.95 1j5i s SER 62 CO 0.34 -1.31 1.01 0.00 0.41 0.00 0.00 173.24 173.69 1j5i n ALA 63 N 7.17 4.15 -2.92 1.44 0.00 -0.36 -0.86 120.51 129.13 1j5i n ALA 63 Ca -0.05 -4.66 -0.44 0.00 0.00 0.00 0.00 53.44 48.29 1j5i n ALA 63 Cb 0.44 -2.09 -0.01 0.00 0.00 0.00 0.00 19.45 17.80 1j5i n ALA 63 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1j5i s SER 64 N 0.28 6.89 0.25 0.00 1.04 -1.26 0.56 113.70 121.45 1j5i s SER 64 Ca 0.30 -2.59 0.07 0.00 0.48 0.00 0.00 55.95 54.21 1j5i s SER 64 Cb -0.07 -2.41 -0.04 0.00 0.10 0.00 0.00 66.02 63.61 1j5i s SER 64 CO -0.08 -0.89 0.20 0.28 0.98 0.00 0.00 173.24 173.72 1j5i s THR 65 N 2.14 4.47 -0.05 2.02 -1.32 0.00 -4.95 115.64 117.96 1j5i s THR 65 Ca 0.39 -1.37 0.01 0.00 -1.21 0.00 0.00 61.69 59.51 1j5i s THR 65 Cb -0.03 -3.41 0.02 0.00 -1.51 0.00 0.00 72.50 67.57 1j5i s THR 65 CO -0.04 -0.33 -0.04 -0.94 -2.21 0.00 0.00 174.62 171.06 1j5i s SER 66 N -3.80 1.17 0.30 8.08 1.04 -1.26 0.14 113.70 119.36 1j5i s SER 66 Ca 0.33 -0.14 -0.14 0.00 0.48 0.00 0.00 55.95 56.48 1j5i s SER 66 Cb -0.08 -0.49 0.02 0.00 0.10 0.00 0.00 66.02 65.57 1j5i s SER 66 CO 0.25 -0.08 0.61 -0.22 0.98 0.00 0.00 173.24 174.78 1j5i s LEU 67 N 1.13 0.20 -0.01 2.42 1.98 -0.44 -4.98 118.68 118.98 1j5i s LEU 67 Ca -0.08 -0.97 0.00 0.00 -2.89 0.00 0.00 54.13 50.20 1j5i s LEU 67 Cb -0.14 2.20 -0.04 0.00 0.66 0.00 0.00 46.19 48.87 1j5i s LEU 67 CO -0.01 -1.33 0.03 -0.89 -1.89 0.00 0.00 176.35 172.26 1j5i s THR 68 N -3.50 4.38 -1.14 3.68 2.01 -1.26 -0.66 115.64 119.15 1j5i s THR 68 Ca 0.19 -0.49 -0.13 0.00 0.31 0.00 0.00 61.69 61.57 1j5i s THR 68 Cb -0.03 -2.96 0.19 0.00 0.01 0.00 0.00 72.50 69.71 1j5i s THR 68 CO 0.11 0.39 1.30 -0.69 -0.69 0.00 0.00 174.62 175.04 1j5i s VAL 69 N -1.10 5.22 -1.29 3.82 1.01 0.21 -4.76 120.40 123.51 1j5i s VAL 69 Ca 0.20 -2.66 -0.07 0.00 0.00 0.00 0.00 61.98 59.45 1j5i s VAL 69 Cb -0.12 -4.81 0.16 0.00 0.00 0.00 0.00 36.38 31.60 1j5i s VAL 69 CO 0.10 -1.49 2.09 0.54 0.00 0.00 0.00 175.10 176.34 1j5i n ARG 70 N 5.09 4.14 -0.58 2.72 5.12 -1.26 0.60 116.66 132.49 1j5i n ARG 70 Ca 0.31 -3.57 0.46 0.00 -1.93 0.00 0.00 57.85 53.13 1j5i n ARG 70 Cb 0.43 -2.76 0.75 0.00 -1.16 0.00 0.00 32.46 29.72 1j5i n ARG 70 CO 0.00 0.00 0.00 -0.09 -1.93 0.00 0.00 177.63 175.61 1j5i h ARG 71 N 5.18 0.01 -5.87 5.56 2.43 -1.85 -3.35 114.38 116.48 1j5i h ARG 71 Ca 0.53 -0.00 -0.57 0.00 -0.81 0.00 0.00 59.98 59.13 1j5i h ARG 71 Cb 0.47 -0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 29.95 1j5i h ARG 71 CO 1.54 0.00 -0.01 -1.54 -1.51 0.00 0.00 179.97 178.45 1j5i s SER 72 N -4.11 6.83 0.00 -3.80 1.04 -1.26 -0.32 113.70 112.08 1j5i s SER 72 Ca -0.06 1.00 0.00 0.00 0.48 0.00 0.00 55.95 57.36 1j5i s SER 72 Cb 0.29 -2.35 0.00 0.00 0.10 0.00 0.00 66.02 64.06 1j5i s SER 72 CO 0.86 -0.08 0.00 0.49 0.98 0.00 0.00 173.24 175.49 1j5i n PHE 73 N 3.83 0.00 -2.72 5.02 3.72 0.61 -4.90 117.46 123.02 1j5i n PHE 73 Ca -0.04 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.93 1j5i n PHE 73 Cb 0.51 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.02 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 -2.00 3.77 0.64 -1.08 2.56 -1.25 -0.40 118.70 120.94 1j5i s GLU 74 Ca 0.00 0.56 -0.10 0.00 0.00 0.00 0.00 54.97 55.43 1j5i s GLU 74 Cb 0.00 -3.85 -0.01 0.00 2.00 0.00 0.00 34.13 32.27 1j5i s GLU 74 CO 0.00 -1.14 1.02 0.20 -0.56 0.00 0.00 175.26 174.78 1j5i s GLY 75 N 2.11 1.63 -0.02 -1.50 0.00 0.12 -3.13 107.32 106.53 1j5i s GLY 75 Ca 0.42 -0.31 0.00 0.00 0.00 0.00 0.00 44.72 44.84 1j5i s GLY 75 CO 0.24 -0.00 0.00 -1.36 0.00 0.00 0.00 173.10 171.98 1j5i s PHE 76 N -3.19 0.18 0.68 1.90 0.40 0.22 -0.52 117.98 117.65 1j5i s PHE 76 Ca 0.56 0.03 -0.13 0.00 -0.60 0.00 0.00 56.93 56.78 1j5i s PHE 76 Cb -0.11 -0.26 0.01 0.00 0.51 0.00 0.00 43.02 43.17 1j5i s PHE 76 CO 0.51 -0.08 1.09 -0.51 0.70 0.00 0.00 175.22 176.93 1j5i s LEU 77 N 0.71 3.28 0.21 -0.37 2.01 0.50 -0.22 118.68 124.80 1j5i s LEU 77 Ca -0.07 1.86 0.23 0.00 0.01 0.00 0.00 54.13 56.17 1j5i s LEU 77 Cb -0.09 -4.53 0.24 0.00 0.01 0.00 0.00 46.19 41.81 1j5i s LEU 77 CO -0.02 -1.63 1.29 2.19 1.01 0.00 0.00 176.35 179.20 1j5i h PHE 78 N -0.31 0.00 -0.25 0.29 -0.00 -1.64 -3.34 116.94 111.68 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 0.57 0.00 0.14 0.22 -0.00 0.00 0.00 178.31 179.24 1j5i h ASP 79 N 0.00 0.31 0.00 -0.68 -0.00 -1.93 -3.46 116.42 110.67 1j5i h ASP 79 Ca 0.00 -0.08 0.00 0.00 -0.00 0.00 0.00 57.03 56.95 1j5i h ASP 79 Cb 0.89 -0.08 0.00 0.00 -0.00 0.00 0.00 39.33 40.14 1j5i h ASP 79 CO 0.00 0.31 0.00 0.61 -0.00 0.00 0.00 179.24 180.16 1j5i n GLY 80 N -0.96 0.30 3.95 -0.78 0.00 -1.25 -5.15 105.19 101.30 1j5i n GLY 80 Ca -0.03 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.76 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 2.58 0.14 2.61 -1.32 -1.26 -4.93 115.64 113.47 1j5i s THR 81 Ca 0.00 -0.47 0.08 0.00 -1.21 0.00 0.00 61.69 60.09 1j5i s THR 81 Cb 0.00 -3.03 -0.04 0.00 -1.51 0.00 0.00 72.50 67.92 1j5i s THR 81 CO 0.00 -0.03 -0.10 0.00 -2.21 0.00 0.00 174.62 172.28 1j5i s ARG 82 N -4.96 2.07 0.00 7.08 1.70 -1.26 -0.37 118.95 123.20 1j5i s ARG 82 Ca 0.58 -1.15 0.00 0.00 -0.47 0.00 0.00 55.73 54.69 1j5i s ARG 82 Cb -0.10 -2.22 0.00 0.00 -0.57 0.00 0.00 34.95 32.05 1j5i s ARG 82 CO 0.41 0.47 0.00 1.87 -1.08 0.00 0.00 175.30 176.97 1j5i n TRP 83 N 0.39 0.00 0.00 5.89 -0.00 -0.23 -4.73 117.44 118.76 1j5i n TRP 83 Ca -0.12 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.38 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 3.25 1.88 5.00 5.87 0.00 0.33 -4.74 105.19 116.77 1j5i n GLY 84 Ca 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.46 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 0.10 114.28 114.69 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 -3.57 12.58 0.31 0.46 -4.90 118.33 123.22 1j5i n VAL 86 Ca 0.00 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 64.04 1j5i n VAL 86 Cb 0.00 0.00 -0.15 0.00 -0.91 0.00 0.00 33.84 32.78 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 -1.28 3.47 -0.44 4.52 3.68 -1.26 -0.29 116.67 125.08 1j5i s ASP 87 Ca 0.00 -1.26 -0.02 0.00 2.13 0.00 0.00 52.55 53.40 1j5i s ASP 87 Cb 0.00 -0.39 0.18 0.00 -1.45 0.00 0.00 42.92 41.26 1j5i s ASP 87 CO 0.00 -0.43 2.35 0.00 0.13 0.00 0.00 175.17 177.22 1j5i n THR 89 N 0.39 0.15 -0.09 0.00 5.66 -1.26 -4.22 114.28 114.92 1j5i n THR 89 Ca 0.43 -0.14 -0.14 0.00 -3.05 0.00 0.00 64.05 61.14 1j5i n THR 89 Cb 0.56 0.14 -0.08 0.00 -1.55 0.00 0.00 70.33 69.39 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 0.71 -3.58 1.09 2.02 -1.98 -3.44 112.91 107.72 1j5i h THR 90 Ca 0.00 -1.79 -0.66 0.00 0.77 0.00 0.00 66.41 64.73 1j5i h THR 90 Cb 0.63 1.60 -0.16 0.00 -1.74 0.00 0.00 68.15 68.48 1j5i h THR 90 CO 0.00 0.24 -0.01 0.00 0.37 0.00 0.00 175.52 176.12 1j5i s ALA 91 N -2.46 3.41 -0.37 6.16 0.00 -1.26 -4.98 121.76 122.26 1j5i s ALA 91 Ca -0.21 -1.20 -0.39 0.00 0.00 0.00 0.00 51.96 50.16 1j5i s ALA 91 Cb 0.03 -3.15 -0.14 0.00 0.00 0.00 0.00 23.12 19.86 1j5i s ALA 91 CO 0.46 -1.54 2.07 0.00 0.00 0.00 0.00 175.76 176.75 1j5i n ALA 92 N 5.93 0.56 -2.69 0.00 0.00 -1.26 -4.86 120.51 118.20 1j5i n ALA 92 Ca -0.04 0.11 -0.42 0.00 0.00 0.00 0.00 53.44 53.09 1j5i n ALA 92 Cb 0.48 -2.36 -0.03 0.00 0.00 0.00 0.00 19.45 17.55 1j5i n ALA 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j5i s GLN 94 N 1.74 3.73 -0.23 0.00 -0.21 -0.38 -0.77 119.66 123.54 1j5i s GLN 94 Ca 0.48 -0.25 -0.23 0.00 0.02 0.00 0.00 55.36 55.38 1j5i s GLN 94 Cb -0.19 -3.75 -0.01 0.00 1.00 0.00 0.00 33.01 30.06 1j5i s GLN 94 CO 0.20 -0.44 0.75 0.08 -2.12 0.00 0.00 175.29 173.76 1j5i s VAL 95 N 2.05 4.90 -0.03 1.09 1.01 -0.05 0.07 120.40 129.44 1j5i s VAL 95 Ca 0.13 1.41 -0.29 0.00 0.00 0.00 0.00 61.98 63.23 1j5i s VAL 95 Cb -0.16 -4.05 0.10 0.00 0.00 0.00 0.00 36.38 32.27 1j5i s VAL 95 CO 0.11 -0.02 1.30 -0.83 0.00 0.00 0.00 175.10 175.67 1j5i s GLY 96 N 1.35 -0.18 -0.17 4.51 0.00 -0.39 -1.57 107.32 110.88 1j5i s GLY 96 Ca 0.32 0.14 -0.06 0.00 0.00 0.00 0.00 44.72 45.12 1j5i s GLY 96 CO 0.08 5.04 0.02 0.48 0.00 0.00 0.00 173.10 178.73 1j5i s LEU 97 N -3.72 3.60 0.38 0.66 2.34 -1.07 0.22 118.68 121.09 1j5i s LEU 97 Ca 0.28 0.01 0.07 0.00 0.06 0.00 0.00 54.13 54.55 1j5i s LEU 97 Cb 0.00 -1.89 -0.01 0.00 -0.56 0.00 0.00 46.19 43.73 1j5i s LEU 97 CO -0.01 0.18 0.46 -0.94 -1.06 0.00 0.00 176.35 174.97 1j5i s SER 98 N 0.34 5.58 0.39 1.48 1.04 -0.20 -3.48 113.70 118.84 1j5i s SER 98 Ca 0.00 -0.42 -0.05 0.00 0.48 0.00 0.00 55.95 55.96 1j5i s SER 98 Cb -0.13 -0.86 -0.04 0.00 0.10 0.00 0.00 66.02 65.08 1j5i s SER 98 CO 0.01 -0.58 0.67 -1.81 0.98 0.00 0.00 173.24 172.52 1j5i s ASP 99 N -4.20 6.37 0.00 7.02 1.11 -1.26 -1.92 116.67 123.79 1j5i s ASP 99 Ca 0.49 0.81 0.20 0.00 0.18 0.00 0.00 52.55 54.23 1j5i s ASP 99 Cb -0.08 -2.19 0.67 0.00 1.07 0.00 0.00 42.92 42.39 1j5i s ASP 99 CO 0.30 -0.39 1.50 0.00 1.18 0.00 0.00 175.17 177.77 1j5i n ALA 100 N -1.63 2.50 -0.10 5.23 0.00 -1.26 -3.65 120.51 121.60 1j5i n ALA 100 Ca -0.01 -0.59 -0.11 0.00 0.00 0.00 0.00 53.44 52.73 1j5i n ALA 100 Cb 0.55 -1.05 -0.14 0.00 0.00 0.00 0.00 19.45 18.81 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 0.48 1.52 0.00 0.00 0.00 -1.26 -5.03 120.51 116.22 1j5i n ALA 101 Ca 0.16 -1.18 0.00 0.00 0.00 0.00 0.00 53.44 52.42 1j5i n ALA 101 Cb 0.36 -0.12 0.00 0.00 0.00 0.00 0.00 19.45 19.68 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 1.98 0.62 3.57 0.00 0.00 -1.24 -5.13 105.19 104.98 1j5i n GLY 102 Ca -0.34 -0.10 -0.27 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.91 4.23 -0.70 1.61 0.01 -1.26 -4.98 114.94 112.94 1j5i s ASN 103 Ca 0.00 -0.57 -0.14 0.00 -0.71 0.00 0.00 52.86 51.44 1j5i s ASN 103 Cb 0.00 -0.71 -0.20 0.00 0.41 0.00 0.00 41.25 40.75 1j5i s ASN 103 CO 0.00 0.11 1.69 0.61 -1.51 0.00 0.00 177.10 178.00 1j5i n GLY 104 N 0.10 -0.35 3.77 0.66 0.00 -1.26 -4.43 105.19 103.68 1j5i n GLY 104 Ca -0.11 0.38 -0.38 0.00 0.00 0.00 0.00 46.02 45.92 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 5.58 4.30 -0.12 1.61 0.04 -1.26 -4.94 135.00 140.21 1j5i s PRO 105 Ca 0.94 1.59 -0.19 0.00 0.04 0.00 0.00 61.00 63.39 1j5i s PRO 105 Cb -0.73 -2.73 -0.04 0.00 0.04 0.00 0.00 34.50 31.04 1j5i s PRO 105 CO 0.37 -0.04 0.51 -1.21 0.04 0.00 0.00 177.00 176.68 1j5i s GLU 106 N -2.19 4.34 -0.16 4.56 2.02 -1.23 -5.00 118.70 121.05 1j5i s GLU 106 Ca 0.54 0.51 -0.24 0.00 0.02 0.00 0.00 54.97 55.80 1j5i s GLU 106 Cb -0.25 -3.45 0.06 0.00 0.10 0.00 0.00 34.13 30.59 1j5i s GLU 106 CO 0.31 0.12 0.61 0.20 0.02 0.00 0.00 175.26 176.53 1j5i s GLY 107 N 0.69 -0.47 -0.27 -1.39 0.00 -1.26 -2.60 107.32 102.02 1j5i s GLY 107 Ca 0.28 1.50 -0.08 0.00 0.00 0.00 0.00 44.72 46.42 1j5i s GLY 107 CO 0.11 1.23 0.10 0.54 0.00 0.00 0.00 173.10 175.08 1j5i s VAL 108 N -0.27 4.44 -0.91 1.40 0.11 -0.61 -4.76 120.40 119.81 1j5i s VAL 108 Ca -0.04 -0.23 -0.26 0.00 -2.93 0.00 0.00 61.98 58.52 1j5i s VAL 108 Cb -0.03 -3.14 -0.16 0.00 -1.53 0.00 0.00 36.38 31.52 1j5i s VAL 108 CO 0.04 0.26 2.27 0.00 -3.33 0.00 0.00 175.10 174.33 1j5i s ALA 109 N 1.62 0.68 0.24 1.54 0.00 -1.26 -0.87 121.76 123.71 1j5i s ALA 109 Ca 0.06 -1.12 0.07 0.00 0.00 0.00 0.00 51.96 50.97 1j5i s ALA 109 Cb -0.16 -4.63 -0.04 0.00 0.00 0.00 0.00 23.12 18.30 1j5i s ALA 109 CO 0.05 -6.23 0.20 -1.50 0.00 0.00 0.00 175.76 168.28 1j5i s ILE 110 N 15.32 4.48 0.00 0.00 1.10 0.05 -4.82 121.20 137.34 1j5i s ILE 110 Ca 0.87 -1.36 0.00 0.00 -0.51 0.00 0.00 60.65 59.65 1j5i s ILE 110 Cb -0.09 -3.41 0.00 0.00 0.15 0.00 0.00 42.46 39.10 1j5i s ILE 110 CO 0.11 -0.33 0.00 -1.20 -2.11 0.00 0.00 174.94 171.41 1j5i n SER 111 N -1.12 0.00 -3.40 4.50 7.64 -0.76 -3.69 113.62 116.78 1j5i n SER 111 Ca -0.08 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 59.79 1j5i n SER 111 Cb 0.58 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.79 1j5i n SER 111 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 1j5i n PHE 112 N 0.00 -1.11 1.83 1.43 7.35 -1.24 -1.75 117.46 123.97 1j5i n PHE 112 Ca 0.00 -1.12 0.15 0.00 -0.76 0.00 0.00 57.45 55.72 1j5i n PHE 112 Cb 0.00 0.54 0.81 0.00 0.35 0.00 0.00 39.48 41.18 1j5i n PHE 112 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09