#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 2.66 -0.85 0.00 0.00 -1.26 -4.97 120.51 116.10 1j5i n ALA 2 Ca 0.00 -3.24 -0.18 0.00 0.00 0.00 0.00 53.44 50.02 1j5i n ALA 2 Cb 0.00 -0.94 -0.08 0.00 0.00 0.00 0.00 19.45 18.43 1j5i n ALA 2 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1j5i n PRO 3 N 0.11 2.04 0.00 0.00 -0.04 -1.26 -4.74 135.00 131.11 1j5i n PRO 3 Ca 0.17 -1.18 0.00 0.00 -0.04 0.00 0.00 63.50 62.45 1j5i n PRO 3 Cb 0.74 -2.18 0.00 0.00 -0.04 0.00 0.00 33.50 32.02 1j5i n PRO 3 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1j5i n THR 4 N 3.19 0.00 -3.14 0.52 -2.24 -0.83 -3.91 114.28 107.87 1j5i n THR 4 Ca 0.44 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.81 1j5i n THR 4 Cb 0.47 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.63 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 -1.04 3.59 -0.04 6.98 0.00 -1.24 0.10 121.76 130.11 1j5i s ALA 5 Ca 0.00 -0.51 -0.08 0.00 0.00 0.00 0.00 51.96 51.36 1j5i s ALA 5 Cb 0.00 -3.01 0.01 0.00 0.00 0.00 0.00 23.12 20.13 1j5i s ALA 5 CO 0.00 -0.84 0.20 0.95 0.00 0.00 0.00 175.76 176.07 1j5i s THR 6 N 2.47 0.04 0.31 0.00 -4.23 -0.12 -4.51 115.64 109.60 1j5i s THR 6 Ca 0.25 -0.30 -0.27 0.00 -1.18 0.00 0.00 61.69 60.19 1j5i s THR 6 Cb -0.15 -0.39 -0.09 0.00 1.34 0.00 0.00 72.50 73.20 1j5i s THR 6 CO 0.09 -0.16 1.03 -0.69 -0.54 0.00 0.00 174.62 174.34 1j5i s VAL 7 N -0.59 3.79 0.18 2.29 1.01 -1.26 -1.12 120.40 124.71 1j5i s VAL 7 Ca -0.07 1.62 -0.13 0.00 0.00 0.00 0.00 61.98 63.40 1j5i s VAL 7 Cb -0.04 -3.96 0.19 0.00 0.00 0.00 0.00 36.38 32.57 1j5i s VAL 7 CO 0.01 0.25 1.19 0.41 0.00 0.00 0.00 175.10 176.96 1j5i n THR 8 N 0.79 -0.40 -0.32 3.92 -1.04 0.25 -4.38 114.28 113.09 1j5i n THR 8 Ca 0.01 1.80 0.00 0.00 -2.04 0.00 0.00 64.05 63.82 1j5i n THR 8 Cb 0.47 -2.38 0.00 0.00 -1.82 0.00 0.00 70.33 66.61 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 -5.13 0.37 0.18 -2.82 -0.04 -1.26 -5.06 135.00 121.23 1j5i n PRO 9 Ca 0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 1j5i n PRO 9 Cb 0.31 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.77 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 -1.27 -2.32 -4.23 3.54 2.88 -1.26 -5.09 113.62 105.86 1j5i n SER 10 Ca 0.00 0.68 -0.13 0.00 -1.33 0.00 0.00 58.87 58.08 1j5i n SER 10 Cb 0.00 2.27 -0.10 0.00 -0.75 0.00 0.00 64.21 65.63 1j5i n SER 10 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1j5i s SER 11 N -3.18 1.42 -0.09 -3.46 0.15 -1.26 -1.83 113.70 105.46 1j5i s SER 11 Ca 0.00 -1.09 0.00 0.00 0.70 0.00 0.00 55.95 55.56 1j5i s SER 11 Cb 0.00 0.06 0.00 0.00 -1.71 0.00 0.00 66.02 64.37 1j5i s SER 11 CO 0.00 -0.47 0.00 0.61 1.20 0.00 0.00 173.24 174.58 1j5i n GLY 12 N -0.20 0.39 3.84 9.45 0.00 -0.30 -4.93 105.19 113.44 1j5i n GLY 12 Ca -0.09 -0.94 -0.30 0.00 0.00 0.00 0.00 46.02 44.69 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 -0.23 2.19 0.13 0.99 1.02 -0.78 -4.81 118.68 117.18 1j5i s LEU 13 Ca 0.00 0.51 0.04 0.00 0.02 0.00 0.00 54.13 54.70 1j5i s LEU 13 Cb 0.00 -2.60 -0.04 0.00 0.02 0.00 0.00 46.19 43.57 1j5i s LEU 13 CO 0.00 -2.86 -0.09 -0.55 0.02 0.00 0.00 176.35 172.86 1j5i s SER 14 N -4.52 1.63 -0.48 2.29 0.15 -1.26 0.56 113.70 112.06 1j5i s SER 14 Ca 0.70 -0.99 -0.03 0.00 0.70 0.00 0.00 55.95 56.33 1j5i s SER 14 Cb -0.08 0.01 -0.03 0.00 -1.71 0.00 0.00 66.02 64.22 1j5i s SER 14 CO 0.53 -0.35 1.59 -0.67 1.20 0.00 0.00 173.24 175.54 1j5i n ASP 15 N -0.07 2.60 0.00 5.45 2.03 -1.26 -1.31 116.55 123.98 1j5i n ASP 15 Ca -0.11 -2.18 0.00 0.00 0.52 0.00 0.00 54.79 53.02 1j5i n ASP 15 Cb 0.60 -0.82 0.00 0.00 -0.72 0.00 0.00 41.12 40.19 1j5i n ASP 15 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1j5i n GLY 16 N 3.89 0.00 3.44 0.27 0.00 -1.03 -4.63 105.19 107.13 1j5i n GLY 16 Ca 0.24 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.82 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 4.63 -0.19 2.61 2.01 -0.43 -4.81 115.64 119.46 1j5i s THR 17 Ca 0.00 -0.50 -0.08 0.00 0.31 0.00 0.00 61.69 61.42 1j5i s THR 17 Cb 0.00 -4.50 -0.04 0.00 0.01 0.00 0.00 72.50 67.97 1j5i s THR 17 CO 0.00 -1.13 0.08 0.54 -0.69 0.00 0.00 174.62 173.42 1j5i s VAL 18 N 3.24 4.92 0.00 3.82 0.11 -1.26 0.19 120.40 131.42 1j5i s VAL 18 Ca 0.18 0.01 0.00 0.00 -2.93 0.00 0.00 61.98 59.25 1j5i s VAL 18 Cb -0.19 -3.23 0.00 0.00 -1.53 0.00 0.00 36.38 31.43 1j5i s VAL 18 CO 0.11 0.45 0.00 1.33 -3.33 0.00 0.00 175.10 173.66 1j5i n VAL 19 N 3.60 0.00 -4.88 2.04 0.24 -0.63 -4.94 118.33 113.75 1j5i n VAL 19 Ca -0.16 0.00 -0.33 0.00 -2.04 0.00 0.00 64.34 61.81 1j5i n VAL 19 Cb 0.52 0.00 -0.14 0.00 -1.47 0.00 0.00 33.84 32.75 1j5i n VAL 19 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 1j5i s LYS 20 N 1.37 3.01 -0.31 7.34 -2.85 -1.26 -1.65 119.74 125.38 1j5i s LYS 20 Ca 0.00 -0.72 -0.08 0.00 -1.00 0.00 0.00 55.97 54.17 1j5i s LYS 20 Cb 0.00 -2.49 0.01 0.00 -2.06 0.00 0.00 37.83 33.29 1j5i s LYS 20 CO 0.00 0.36 0.11 0.08 0.10 0.00 0.00 175.35 176.00 1j5i s VAL 21 N -0.04 4.16 0.02 1.79 1.01 0.14 -0.59 120.40 126.90 1j5i s VAL 21 Ca -0.04 -0.69 -0.22 0.00 0.00 0.00 0.00 61.98 61.04 1j5i s VAL 21 Cb -0.14 -3.18 -0.06 0.00 0.00 0.00 0.00 36.38 33.00 1j5i s VAL 21 CO 0.04 0.02 0.64 0.00 0.00 0.00 0.00 175.10 175.80 1j5i s ALA 22 N 1.52 3.47 -0.96 5.51 0.00 -0.27 -0.06 121.76 130.98 1j5i s ALA 22 Ca 0.03 0.10 -0.03 0.00 0.00 0.00 0.00 51.96 52.05 1j5i s ALA 22 Cb -0.18 -2.79 0.24 0.00 0.00 0.00 0.00 23.12 20.39 1j5i s ALA 22 CO 0.04 0.17 0.88 0.41 0.00 0.00 0.00 175.76 177.26 1j5i n GLY 23 N 2.33 4.17 3.56 0.00 0.00 0.44 -0.94 105.19 114.75 1j5i n GLY 23 Ca -0.06 -2.60 -0.37 0.00 0.00 0.00 0.00 46.02 42.99 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 -1.41 2.38 0.00 4.61 0.00 0.29 -1.20 121.76 126.43 1j5i s ALA 24 Ca 0.29 -1.73 0.00 0.00 0.00 0.00 0.00 51.96 50.52 1j5i s ALA 24 Cb -0.07 -4.47 0.00 0.00 0.00 0.00 0.00 23.12 18.58 1j5i s ALA 24 CO -0.11 -3.91 0.00 0.41 0.00 0.00 0.00 175.76 172.15 1j5i n GLY 25 N 6.49 1.17 0.00 0.00 0.00 0.56 -1.96 105.19 111.44 1j5i n GLY 25 Ca 0.28 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.09 0.00 -4.51 0.99 -0.00 -0.58 -4.80 117.00 108.00 1j5i n LEU 26 Ca 0.00 0.00 -0.25 0.00 -0.00 0.00 0.00 56.01 55.76 1j5i n LEU 26 Cb 0.22 0.00 -0.08 0.00 -0.00 0.00 0.00 43.42 43.55 1j5i n LEU 26 CO 0.00 0.00 1.39 0.00 -0.00 0.00 0.00 177.39 178.78 1j5i n GLN 27 N 0.00 1.07 -1.56 1.96 3.00 -1.26 -4.68 117.38 115.91 1j5i n GLN 27 Ca 0.00 -2.16 -0.17 0.00 -0.01 0.00 0.00 57.00 54.66 1j5i n GLN 27 Cb 0.00 -3.74 -0.07 0.00 0.00 0.00 0.00 30.24 26.43 1j5i n GLN 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1j5i n ALA 28 N 15.83 0.42 0.00 -1.58 0.00 -1.26 -0.38 120.51 133.55 1j5i n ALA 28 Ca 0.44 -1.31 0.00 0.00 0.00 0.00 0.00 53.44 52.57 1j5i n ALA 28 Cb 0.46 -3.25 0.00 0.00 0.00 0.00 0.00 19.45 16.66 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 6.65 3.05 3.80 0.00 0.00 0.31 -4.66 105.19 114.35 1j5i n GLY 29 Ca 0.46 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.25 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 -2.00 0.00 -3.58 2.61 -2.24 0.49 -4.89 114.28 104.67 1j5i n THR 30 Ca 0.00 -1.47 -0.00 0.00 -2.27 0.00 0.00 64.05 60.31 1j5i n THR 30 Cb 0.00 -0.98 -0.04 0.00 -2.10 0.00 0.00 70.33 67.21 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 -3.28 -2.22 0.00 6.98 0.00 -1.26 -1.70 121.76 120.28 1j5i s ALA 31 Ca 0.66 2.27 0.00 0.00 0.00 0.00 0.00 51.96 54.89 1j5i s ALA 31 Cb -0.03 -1.84 0.00 0.00 0.00 0.00 0.00 23.12 21.24 1j5i s ALA 31 CO 0.44 -0.92 0.00 0.66 0.00 0.00 0.00 175.76 175.94 1j5i n TYR 32 N 5.29 0.00 -4.13 0.00 4.01 0.17 -4.87 117.16 117.62 1j5i n TYR 32 Ca -0.11 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.31 1j5i n TYR 32 Cb 0.50 0.00 -0.16 0.00 -0.31 0.00 0.00 39.34 39.37 1j5i n TYR 32 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1j5i s ASP 33 N 0.83 2.92 0.18 7.72 -1.08 -1.25 0.62 116.67 126.61 1j5i s ASP 33 Ca 0.00 -0.57 -0.13 0.00 -0.52 0.00 0.00 52.55 51.33 1j5i s ASP 33 Cb 0.00 -1.34 -0.07 0.00 -1.46 0.00 0.00 42.92 40.05 1j5i s ASP 33 CO 0.00 -0.02 0.56 -0.69 0.52 0.00 0.00 175.17 175.54 1j5i s VAL 34 N 1.32 4.86 0.00 1.11 1.01 0.06 -1.05 120.40 127.71 1j5i s VAL 34 Ca 0.04 0.75 0.00 0.00 0.00 0.00 0.00 61.98 62.76 1j5i s VAL 34 Cb -0.13 -3.70 0.00 0.00 0.00 0.00 0.00 36.38 32.55 1j5i s VAL 34 CO -0.11 0.14 0.00 0.61 0.00 0.00 0.00 175.10 175.74 1j5i n GLY 35 N 0.50 1.47 3.40 4.51 0.00 0.15 -0.71 105.19 114.51 1j5i n GLY 35 Ca -0.03 -0.74 -0.44 0.00 0.00 0.00 0.00 46.02 44.80 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 3.07 0.07 1.61 -2.07 -1.25 -0.86 119.66 118.22 1j5i s GLN 36 Ca 0.00 -1.17 0.03 0.00 -1.82 0.00 0.00 55.36 52.40 1j5i s GLN 36 Cb 0.00 -4.24 -0.04 0.00 -1.09 0.00 0.00 33.01 27.64 1j5i s GLN 36 CO 0.00 -1.57 0.04 0.00 -1.32 0.00 0.00 175.29 172.44 1j5i s ALA 38 N -1.31 -2.21 -0.12 0.00 0.00 -0.79 -1.61 121.76 115.72 1j5i s ALA 38 Ca 0.26 1.29 -0.29 0.00 0.00 0.00 0.00 51.96 53.22 1j5i s ALA 38 Cb -0.12 0.02 -0.04 0.00 0.00 0.00 0.00 23.12 22.98 1j5i s ALA 38 CO 0.19 -0.79 1.61 -1.58 0.00 0.00 0.00 175.76 175.18 1j5i s TRP 39 N -2.29 2.10 -0.19 0.00 0.52 -1.26 -0.08 118.94 117.74 1j5i s TRP 39 Ca 0.12 0.40 -0.02 0.00 0.02 0.00 0.00 56.10 56.62 1j5i s TRP 39 Cb 0.02 -3.89 -0.11 0.00 -1.15 0.00 0.00 33.47 28.34 1j5i s TRP 39 CO -0.04 -3.33 -0.20 1.55 0.02 0.00 0.00 176.95 174.96 1j5i n VAL 40 N 5.79 1.10 0.00 4.03 3.14 -0.75 -4.59 118.33 127.04 1j5i n VAL 40 Ca 0.18 -0.38 0.00 0.00 -2.96 0.00 0.00 64.34 61.18 1j5i n VAL 40 Cb 0.44 -1.35 0.00 0.00 -1.06 0.00 0.00 33.84 31.87 1j5i n VAL 40 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 1j5i n ASP 41 N -3.31 0.00 -4.00 6.55 4.64 -1.11 -4.91 116.55 114.41 1j5i n ASP 41 Ca -0.36 0.00 -0.43 0.00 -1.38 0.00 0.00 54.79 52.63 1j5i n ASP 41 Cb 0.84 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.92 1j5i n ASP 41 CO 0.00 0.00 0.00 0.41 -0.82 0.00 0.00 177.20 176.79 1j5i n THR 42 N -0.00 4.44 -0.27 5.18 -1.04 -1.26 -4.14 114.28 117.19 1j5i n THR 42 Ca 0.00 -4.64 0.00 0.00 -2.04 0.00 0.00 64.05 57.37 1j5i n THR 42 Cb 0.00 -2.35 0.00 0.00 -1.82 0.00 0.00 70.33 66.16 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 2.88 0.76 3.62 3.41 0.00 -1.26 -5.05 105.19 109.54 1j5i n GLY 43 Ca 0.37 0.00 -0.37 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 -2.25 5.15 -0.14 1.61 1.01 -1.26 -5.03 120.40 119.49 1j5i s VAL 44 Ca 0.00 0.11 -0.29 0.00 0.00 0.00 0.00 61.98 61.79 1j5i s VAL 44 Cb 0.00 -3.40 -0.03 0.00 0.00 0.00 0.00 36.38 32.95 1j5i s VAL 44 CO 0.00 0.34 1.41 -0.22 0.00 0.00 0.00 175.10 176.63 1j5i s LEU 45 N 1.17 4.19 -0.07 3.92 2.96 -1.26 -1.81 118.68 127.78 1j5i s LEU 45 Ca 0.07 1.83 0.04 0.00 -0.22 0.00 0.00 54.13 55.85 1j5i s LEU 45 Cb -0.14 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.02 1j5i s LEU 45 CO 0.05 -0.87 -0.18 0.00 -1.32 0.00 0.00 176.35 174.03 1j5i s ALA 46 N 3.84 1.66 0.26 5.97 0.00 0.88 -3.83 121.76 130.55 1j5i s ALA 46 Ca 0.62 -0.71 -0.00 0.00 0.00 0.00 0.00 51.96 51.87 1j5i s ALA 46 Cb -0.25 -0.62 -0.04 0.00 0.00 0.00 0.00 23.12 22.21 1j5i s ALA 46 CO 0.21 0.24 0.46 0.00 0.00 0.00 0.00 175.76 176.67 1j5i s ASN 48 N -3.54 5.82 0.22 0.00 0.02 -1.10 0.15 114.94 116.51 1j5i s ASN 48 Ca 0.39 0.96 0.25 0.00 -1.02 0.00 0.00 52.86 53.43 1j5i s ASN 48 Cb -0.10 -2.00 0.90 0.00 0.02 0.00 0.00 41.25 40.07 1j5i s ASN 48 CO 0.31 -0.97 1.74 -0.81 0.02 0.00 0.00 177.10 177.40 1j5i n PRO 49 N -2.61 0.21 -0.42 -0.60 -0.04 -1.23 -2.18 135.00 128.12 1j5i n PRO 49 Ca 0.04 0.30 0.09 0.00 -0.04 0.00 0.00 63.50 63.89 1j5i n PRO 49 Cb 0.56 -1.81 0.28 0.00 -0.04 0.00 0.00 33.50 32.49 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 -1.76 2.69 0.68 0.55 0.00 -1.26 -4.28 120.51 117.13 1j5i n ALA 50 Ca 0.04 -1.53 0.05 0.00 0.00 0.00 0.00 53.44 52.00 1j5i n ALA 50 Cb 0.33 -0.78 0.16 0.00 0.00 0.00 0.00 19.45 19.15 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 0.78 2.23 -4.20 0.00 -0.08 -0.93 -4.64 116.55 109.72 1j5i n ASP 51 Ca 0.21 -2.14 -0.41 0.00 -1.51 0.00 0.00 54.79 50.94 1j5i n ASP 51 Cb 0.71 -0.34 -0.07 0.00 2.34 0.00 0.00 41.12 43.76 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 3.52 -0.39 -0.67 0.08 -1.20 -2.82 117.98 114.87 1j5i s PHE 52 Ca 0.23 -2.23 0.04 0.00 0.12 0.00 0.00 56.93 55.09 1j5i s PHE 52 Cb 0.14 -3.49 0.16 0.00 -0.57 0.00 0.00 43.02 39.26 1j5i s PHE 52 CO 0.12 -0.93 0.45 0.45 -0.10 0.00 0.00 175.22 175.21 1j5i s SER 53 N 1.76 0.51 -0.24 1.36 0.15 0.11 -4.96 113.70 112.39 1j5i s SER 53 Ca 0.14 -1.59 -0.36 0.00 0.70 0.00 0.00 55.95 54.83 1j5i s SER 53 Cb -0.19 0.83 -0.17 0.00 -1.71 0.00 0.00 66.02 64.79 1j5i s SER 53 CO -0.04 -0.22 1.14 -1.54 1.20 0.00 0.00 173.24 173.78 1j5i n SER 54 N 4.04 0.58 -4.54 5.45 3.41 -1.26 -0.76 113.62 120.54 1j5i n SER 54 Ca 0.13 0.97 -0.33 0.00 -0.26 0.00 0.00 58.87 59.38 1j5i n SER 54 Cb 0.48 -0.74 -0.12 0.00 -0.26 0.00 0.00 64.21 63.57 1j5i n SER 54 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1j5i s VAL 55 N 1.45 3.46 -0.07 -3.33 0.11 0.20 -4.71 120.40 117.52 1j5i s VAL 55 Ca 0.82 -0.58 0.00 0.00 -2.93 0.00 0.00 61.98 59.30 1j5i s VAL 55 Cb -1.16 -2.39 0.02 0.00 -1.53 0.00 0.00 36.38 31.32 1j5i s VAL 55 CO 0.59 0.59 -0.05 -0.89 -3.33 0.00 0.00 175.10 172.01 1j5i s THR 56 N -0.78 0.67 -0.22 5.04 2.01 -1.26 0.42 115.64 121.52 1j5i s THR 56 Ca 0.12 -0.15 -0.06 0.00 0.31 0.00 0.00 61.69 61.91 1j5i s THR 56 Cb -0.11 -0.71 -0.03 0.00 0.01 0.00 0.00 72.50 71.66 1j5i s THR 56 CO 0.01 0.28 0.04 0.00 -0.69 0.00 0.00 174.62 174.26 1j5i s ALA 57 N 1.25 3.14 0.85 7.40 0.00 -0.69 -4.12 121.76 129.58 1j5i s ALA 57 Ca -0.05 -1.02 -0.13 0.00 0.00 0.00 0.00 51.96 50.75 1j5i s ALA 57 Cb -0.14 -1.94 0.06 0.00 0.00 0.00 0.00 23.12 21.11 1j5i s ALA 57 CO -0.02 -0.27 0.89 -0.25 0.00 0.00 0.00 175.76 176.11 1j5i n ASP 58 N 4.48 -0.20 -0.20 0.00 8.00 0.12 0.12 116.55 128.86 1j5i n ASP 58 Ca -0.17 0.50 0.30 0.00 0.71 0.00 0.00 54.79 56.13 1j5i n ASP 58 Cb 0.52 -1.38 0.58 0.00 -0.02 0.00 0.00 41.12 40.82 1j5i n ASP 58 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1j5i h ALA 59 N -1.13 2.87 -0.40 2.24 0.00 -1.86 2.29 119.26 123.27 1j5i h ALA 59 Ca -0.45 -0.03 -0.22 0.00 0.00 0.00 0.00 54.91 54.21 1j5i h ALA 59 Cb 1.30 0.07 -0.12 0.00 0.00 0.00 0.00 17.79 19.04 1j5i h ALA 59 CO 0.42 -1.53 0.28 -1.71 0.00 0.00 0.00 179.25 176.71 1j5i n ASN 60 N -3.50 3.94 -4.30 0.00 5.15 -1.26 -4.42 115.26 110.86 1j5i n ASN 60 Ca 0.22 -2.71 -0.35 0.00 -0.60 0.00 0.00 54.58 51.14 1j5i n ASN 60 Cb 1.33 -0.73 -0.06 0.00 -0.53 0.00 0.00 39.78 39.80 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 -0.00 -0.33 3.09 8.20 0.00 0.77 -4.57 105.19 112.35 1j5i n GLY 61 Ca 0.24 0.13 -0.35 0.00 0.00 0.00 0.00 46.02 46.04 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 -3.68 5.13 -0.83 1.61 0.01 -1.00 0.21 113.70 115.14 1j5i s SER 62 Ca 0.50 -2.18 -0.06 0.00 1.31 0.00 0.00 55.95 55.51 1j5i s SER 62 Cb -0.28 -1.79 0.21 0.00 0.21 0.00 0.00 66.02 64.37 1j5i s SER 62 CO 0.97 -0.48 0.73 0.00 0.41 0.00 0.00 173.24 174.86 1j5i s ALA 63 N 0.91 4.08 -1.19 1.44 0.00 -0.34 0.16 121.76 126.83 1j5i s ALA 63 Ca 0.10 -3.54 -0.11 0.00 0.00 0.00 0.00 51.96 48.41 1j5i s ALA 63 Cb -0.22 -3.06 0.21 0.00 0.00 0.00 0.00 23.12 20.05 1j5i s ALA 63 CO -0.05 -2.18 1.44 -1.13 0.00 0.00 0.00 175.76 173.85 1j5i n SER 64 N 3.13 5.40 -4.54 0.00 3.41 -1.25 0.17 113.62 119.93 1j5i n SER 64 Ca 0.16 -3.06 -0.34 0.00 -0.26 0.00 0.00 58.87 55.37 1j5i n SER 64 Cb 0.40 -1.48 -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 -0.89 -0.16 0.00 0.00 175.04 173.99 1j5i s THR 65 N 0.18 4.08 0.04 6.66 2.01 0.91 -4.85 115.64 124.68 1j5i s THR 65 Ca 0.38 -0.29 -0.00 0.00 0.31 0.00 0.00 61.69 62.08 1j5i s THR 65 Cb -0.02 -2.79 -0.04 0.00 0.01 0.00 0.00 72.50 69.67 1j5i s THR 65 CO -0.01 0.50 0.18 -0.94 -0.69 0.00 0.00 174.62 173.66 1j5i s SER 66 N 0.19 6.20 0.34 3.53 1.04 -1.26 0.27 113.70 124.02 1j5i s SER 66 Ca -0.01 0.25 -0.18 0.00 0.48 0.00 0.00 55.95 56.49 1j5i s SER 66 Cb -0.13 -1.89 0.05 0.00 0.10 0.00 0.00 66.02 64.15 1j5i s SER 66 CO 0.02 0.20 0.79 -0.22 0.98 0.00 0.00 173.24 175.02 1j5i s LEU 67 N -2.27 -0.06 -0.23 2.42 1.98 -0.66 -4.90 118.68 114.96 1j5i s LEU 67 Ca 0.31 -0.97 -0.12 0.00 -2.89 0.00 0.00 54.13 50.45 1j5i s LEU 67 Cb -0.13 2.76 -0.05 0.00 0.66 0.00 0.00 46.19 49.44 1j5i s LEU 67 CO 0.23 -1.55 0.24 0.28 -1.89 0.00 0.00 176.35 173.66 1j5i s THR 68 N -2.71 5.30 -0.98 3.68 -1.32 -1.26 -1.61 115.64 116.74 1j5i s THR 68 Ca 0.15 0.36 -0.19 0.00 -1.21 0.00 0.00 61.69 60.80 1j5i s THR 68 Cb -0.05 -3.58 0.13 0.00 -1.51 0.00 0.00 72.50 67.49 1j5i s THR 68 CO 0.10 0.31 1.21 -0.69 -2.21 0.00 0.00 174.62 173.34 1j5i s VAL 69 N 1.17 4.67 -0.18 5.08 1.01 0.50 -4.89 120.40 127.76 1j5i s VAL 69 Ca 0.11 -1.64 -0.08 0.00 0.00 0.00 0.00 61.98 60.38 1j5i s VAL 69 Cb -0.14 -4.83 -0.04 0.00 0.00 0.00 0.00 36.38 31.36 1j5i s VAL 69 CO 0.06 -1.58 0.09 -0.13 0.00 0.00 0.00 175.10 173.54 1j5i s ARG 70 N 2.81 3.94 -0.16 2.72 1.81 -1.26 -1.43 118.95 127.38 1j5i s ARG 70 Ca 0.36 -0.29 -0.07 0.00 -1.72 0.00 0.00 55.73 54.01 1j5i s ARG 70 Cb -0.04 -3.25 -0.23 0.00 -0.45 0.00 0.00 34.95 30.98 1j5i s ARG 70 CO -0.08 0.36 0.21 -2.13 -0.68 0.00 0.00 175.30 172.97 1j5i n ARG 71 N 3.30 0.72 -2.75 3.54 0.63 -1.26 -4.88 116.66 115.95 1j5i n ARG 71 Ca -0.17 0.27 -0.41 0.00 -0.92 0.00 0.00 57.85 56.61 1j5i n ARG 71 Cb 0.52 -1.67 -0.04 0.00 0.45 0.00 0.00 32.46 31.73 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 -6.94 7.37 0.00 6.15 1.04 -1.26 -1.07 113.70 118.99 1j5i s SER 72 Ca -0.26 1.65 0.00 0.00 0.48 0.00 0.00 55.95 57.82 1j5i s SER 72 Cb 0.07 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.63 1j5i s SER 72 CO 0.71 -0.18 0.00 0.49 0.98 0.00 0.00 173.24 175.24 1j5i n PHE 73 N 3.52 0.00 -2.92 5.02 3.72 0.10 -4.87 117.46 122.03 1j5i n PHE 73 Ca 0.04 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 57.04 1j5i n PHE 73 Cb 0.50 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 39.00 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 4.50 0.54 -1.08 2.12 -1.26 -0.14 118.70 121.38 1j5i s GLU 74 Ca 0.00 1.11 -0.13 0.00 0.36 0.00 0.00 54.97 56.31 1j5i s GLU 74 Cb 0.00 -3.42 -0.06 0.00 0.26 0.00 0.00 34.13 30.91 1j5i s GLU 74 CO 0.00 0.10 0.97 0.20 -0.54 0.00 0.00 175.26 175.99 1j5i s GLY 75 N 0.57 1.85 -0.37 -1.50 0.00 -0.44 -3.58 107.32 103.86 1j5i s GLY 75 Ca 0.42 -0.01 0.03 0.00 0.00 0.00 0.00 44.72 45.16 1j5i s GLY 75 CO 0.23 0.24 0.11 -1.36 0.00 0.00 0.00 173.10 172.32 1j5i s PHE 76 N -2.82 3.12 0.90 1.90 0.08 0.40 -1.62 117.98 119.93 1j5i s PHE 76 Ca 0.56 -2.74 -0.14 0.00 0.12 0.00 0.00 56.93 54.73 1j5i s PHE 76 Cb -0.10 -2.59 0.14 0.00 -0.57 0.00 0.00 43.02 39.90 1j5i s PHE 76 CO 0.41 -0.89 1.23 -0.51 -0.10 0.00 0.00 175.22 175.36 1j5i s LEU 77 N 0.79 2.46 -0.05 -0.37 1.43 0.27 -1.26 118.68 121.93 1j5i s LEU 77 Ca 0.12 0.60 0.05 0.00 -1.03 0.00 0.00 54.13 53.87 1j5i s LEU 77 Cb -0.20 -2.86 -0.24 0.00 0.03 0.00 0.00 46.19 42.91 1j5i s LEU 77 CO -0.09 -2.39 0.63 0.15 0.23 0.00 0.00 176.35 174.88 1j5i h PHE 78 N -1.40 0.19 0.00 0.29 3.04 -1.90 -1.21 116.94 115.96 1j5i h PHE 78 Ca -0.46 -0.14 -0.06 0.00 3.98 0.00 0.00 57.97 61.30 1j5i h PHE 78 Cb 1.29 -0.01 -0.01 0.00 2.56 0.00 0.00 35.95 39.78 1j5i h PHE 78 CO -0.36 1.26 -1.67 -0.25 -2.02 0.00 0.00 178.31 175.28 1j5i n ASP 79 N -3.23 0.36 -2.98 0.41 9.92 -1.26 -4.57 116.55 115.21 1j5i n ASP 79 Ca -0.20 0.15 -0.14 0.00 -0.53 0.00 0.00 54.79 54.06 1j5i n ASP 79 Cb 1.05 1.21 0.02 0.00 -0.64 0.00 0.00 41.12 42.76 1j5i n ASP 79 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1j5i n GLY 80 N 1.30 2.33 0.00 0.44 0.00 -1.26 -5.06 105.19 102.94 1j5i n GLY 80 Ca -0.06 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 44.96 1j5i n GLY 80 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1j5i n THR 81 N 0.25 0.00 -1.38 2.61 5.66 -0.46 -2.41 114.28 118.56 1j5i n THR 81 Ca 0.16 0.07 -0.10 0.00 -3.05 0.00 0.00 64.05 61.14 1j5i n THR 81 Cb 0.69 -0.17 -0.08 0.00 -1.55 0.00 0.00 70.33 69.22 1j5i n THR 81 CO 0.00 0.00 0.00 -1.14 -3.05 0.00 0.00 175.07 170.88 1j5i n ARG 82 N 0.00 0.09 0.00 1.09 0.63 -1.26 -0.57 116.66 116.65 1j5i n ARG 82 Ca 0.00 -0.98 0.00 0.00 -0.92 0.00 0.00 57.85 55.95 1j5i n ARG 82 Cb 0.00 -2.79 0.00 0.00 0.45 0.00 0.00 32.46 30.12 1j5i n ARG 82 CO 0.00 0.00 0.00 1.87 -2.51 0.00 0.00 177.63 176.99 1j5i n TRP 83 N 14.00 0.00 0.00 -0.14 -0.00 -0.64 -4.98 117.44 125.67 1j5i n TRP 83 Ca 0.29 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.79 1j5i n TRP 83 Cb 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.77 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 2.87 -0.54 3.49 5.87 0.00 -1.26 -4.92 105.19 110.70 1j5i n GLY 84 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.20 2.61 -1.04 -1.26 -1.33 114.28 113.06 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 -3.46 12.58 0.31 0.80 -4.87 118.33 123.69 1j5i n VAL 86 Ca 0.00 0.00 -0.19 0.00 -0.01 0.00 0.00 64.34 64.14 1j5i n VAL 86 Cb 0.00 -0.04 -0.12 0.00 -0.91 0.00 0.00 33.84 32.77 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 -3.19 1.69 -0.38 4.52 3.68 -1.25 -0.72 116.67 121.02 1j5i s ASP 87 Ca 0.00 -0.52 -0.01 0.00 2.13 0.00 0.00 52.55 54.14 1j5i s ASP 87 Cb 0.00 0.37 0.22 0.00 -1.45 0.00 0.00 42.92 42.06 1j5i s ASP 87 CO 0.00 -0.36 2.13 0.00 0.13 0.00 0.00 175.17 177.07 1j5i h THR 89 N 1.15 0.00 0.00 0.00 1.03 -1.95 -3.36 112.91 109.77 1j5i h THR 89 Ca 0.34 -0.75 -0.13 0.00 -0.01 0.00 0.00 66.41 65.86 1j5i h THR 89 Cb 0.87 1.44 -0.02 0.00 -1.07 0.00 0.00 68.15 69.37 1j5i h THR 89 CO 0.88 0.00 -0.84 0.74 -0.01 0.00 0.00 175.52 176.29 1j5i h THR 90 N 0.00 0.77 -3.37 0.00 2.02 -1.99 -3.47 112.91 106.87 1j5i h THR 90 Ca 0.00 -1.87 -0.55 0.00 0.77 0.00 0.00 66.41 64.77 1j5i h THR 90 Cb 0.88 1.75 -0.03 0.00 -1.74 0.00 0.00 68.15 69.00 1j5i h THR 90 CO 0.00 0.26 -0.15 0.00 0.37 0.00 0.00 175.52 176.00 1j5i s ALA 91 N -2.44 3.61 -0.30 6.16 0.00 -1.26 -5.04 121.76 122.49 1j5i s ALA 91 Ca -0.23 -0.32 -0.26 0.00 0.00 0.00 0.00 51.96 51.15 1j5i s ALA 91 Cb 0.03 -2.38 0.01 0.00 0.00 0.00 0.00 23.12 20.78 1j5i s ALA 91 CO 0.49 0.54 0.94 0.00 0.00 0.00 0.00 175.76 177.72 1j5i s ALA 92 N -1.76 3.54 -0.18 0.00 0.00 -1.26 -4.82 121.76 117.28 1j5i s ALA 92 Ca 0.45 -0.19 -0.26 0.00 0.00 0.00 0.00 51.96 51.96 1j5i s ALA 92 Cb -0.12 -3.48 -0.01 0.00 0.00 0.00 0.00 23.12 19.51 1j5i s ALA 92 CO 0.22 -1.29 0.85 0.00 0.00 0.00 0.00 175.76 175.53 1j5i s GLN 94 N 2.31 3.70 -0.46 0.00 -0.21 -0.63 -1.55 119.66 122.82 1j5i s GLN 94 Ca 0.38 -0.49 -0.24 0.00 0.02 0.00 0.00 55.36 55.04 1j5i s GLN 94 Cb -0.16 -3.68 0.03 0.00 1.00 0.00 0.00 33.01 30.19 1j5i s GLN 94 CO 0.11 -0.30 0.84 0.08 -2.12 0.00 0.00 175.29 173.90 1j5i s VAL 95 N 1.72 4.57 0.29 1.09 1.01 0.52 -0.42 120.40 129.19 1j5i s VAL 95 Ca 0.06 0.54 -0.13 0.00 0.00 0.00 0.00 61.98 62.45 1j5i s VAL 95 Cb -0.17 -4.37 0.05 0.00 0.00 0.00 0.00 36.38 31.89 1j5i s VAL 95 CO 0.10 -0.78 0.68 0.61 0.00 0.00 0.00 175.10 175.71 1j5i n GLY 96 N 4.97 1.09 3.75 4.51 0.00 -0.04 -0.73 105.19 118.75 1j5i n GLY 96 Ca 0.04 -1.19 -0.31 0.00 0.00 0.00 0.00 46.02 44.56 1j5i n GLY 96 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1j5i s LEU 97 N 0.00 3.72 -0.17 0.99 -0.00 -1.26 0.32 118.68 122.29 1j5i s LEU 97 Ca 0.14 -0.03 -0.06 0.00 -0.00 0.00 0.00 54.13 54.18 1j5i s LEU 97 Cb -0.04 -2.36 -0.04 0.00 -0.00 0.00 0.00 46.19 43.76 1j5i s LEU 97 CO 0.09 0.19 0.03 -0.44 -0.00 0.00 0.00 176.35 176.23 1j5i s SER 98 N -2.22 5.41 0.86 1.48 0.01 -0.21 -4.26 113.70 114.77 1j5i s SER 98 Ca 0.27 0.04 -0.11 0.00 1.31 0.00 0.00 55.95 57.46 1j5i s SER 98 Cb -0.12 -1.89 0.11 0.00 0.21 0.00 0.00 66.02 64.33 1j5i s SER 98 CO 0.19 0.19 1.11 -1.81 0.41 0.00 0.00 173.24 173.33 1j5i s ASP 99 N 0.25 3.58 0.00 2.44 1.11 -1.26 -3.78 116.67 119.01 1j5i s ASP 99 Ca 0.02 1.88 0.27 0.00 0.18 0.00 0.00 52.55 54.91 1j5i s ASP 99 Cb -0.13 -2.47 1.17 0.00 1.07 0.00 0.00 42.92 42.57 1j5i s ASP 99 CO 0.01 -2.63 1.81 0.00 1.18 0.00 0.00 175.17 175.53 1j5i n ALA 100 N -3.91 2.59 0.46 5.23 0.00 -1.26 -3.17 120.51 120.44 1j5i n ALA 100 Ca 0.09 -0.39 0.08 0.00 0.00 0.00 0.00 53.44 53.22 1j5i n ALA 100 Cb 0.53 -1.23 -0.11 0.00 0.00 0.00 0.00 19.45 18.64 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 -0.07 3.53 -1.95 0.00 0.00 -1.26 -5.01 120.51 115.75 1j5i n ALA 101 Ca 0.19 -0.44 -0.03 0.00 0.00 0.00 0.00 53.44 53.16 1j5i n ALA 101 Cb 0.29 -0.60 0.01 0.00 0.00 0.00 0.00 19.45 19.16 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 1.45 0.48 3.41 0.00 0.00 -1.19 -5.07 105.19 104.26 1j5i n GLY 102 Ca 0.01 -0.22 -0.30 0.00 0.00 0.00 0.00 46.02 45.50 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 -3.12 3.52 -0.81 1.61 0.01 -1.26 -5.01 114.94 109.87 1j5i s ASN 103 Ca 0.05 -0.50 -0.19 0.00 -0.71 0.00 0.00 52.86 51.51 1j5i s ASN 103 Cb -0.01 -0.47 -0.21 0.00 0.41 0.00 0.00 41.25 40.97 1j5i s ASN 103 CO 0.13 0.26 2.03 0.61 -1.51 0.00 0.00 177.10 178.62 1j5i n GLY 104 N 1.66 -0.40 3.81 0.66 0.00 -1.26 -4.48 105.19 105.18 1j5i n GLY 104 Ca -0.17 0.61 -0.33 0.00 0.00 0.00 0.00 46.02 46.14 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 6.73 3.49 -0.48 1.61 0.04 -1.26 -5.00 135.00 140.14 1j5i s PRO 105 Ca 1.09 1.21 -0.22 0.00 0.04 0.00 0.00 61.00 63.12 1j5i s PRO 105 Cb -0.91 -2.06 0.03 0.00 0.04 0.00 0.00 34.50 31.61 1j5i s PRO 105 CO 0.42 -0.67 0.75 -1.21 0.04 0.00 0.00 177.00 176.34 1j5i s GLU 106 N -3.89 3.31 0.18 4.56 2.02 -1.26 -5.00 118.70 118.62 1j5i s GLU 106 Ca 0.64 -0.33 0.08 0.00 0.02 0.00 0.00 54.97 55.38 1j5i s GLU 106 Cb -0.15 -3.99 -0.04 0.00 0.10 0.00 0.00 34.13 30.05 1j5i s GLU 106 CO 0.32 -1.18 -0.00 0.20 0.02 0.00 0.00 175.26 174.63 1j5i s GLY 107 N 2.32 1.72 -0.27 -1.39 0.00 -1.26 -4.08 107.32 104.35 1j5i s GLY 107 Ca 0.26 -1.39 -0.09 0.00 0.00 0.00 0.00 44.72 43.49 1j5i s GLY 107 CO 0.19 -1.41 0.14 0.54 0.00 0.00 0.00 173.10 172.56 1j5i s VAL 108 N -1.78 4.80 -0.83 1.40 0.11 0.09 -4.75 120.40 119.44 1j5i s VAL 108 Ca 0.28 -0.06 -0.25 0.00 -2.93 0.00 0.00 61.98 59.01 1j5i s VAL 108 Cb -0.09 -3.30 -0.09 0.00 -1.53 0.00 0.00 36.38 31.37 1j5i s VAL 108 CO 0.19 0.25 2.16 0.00 -3.33 0.00 0.00 175.10 174.37 1j5i s ALA 109 N 1.68 1.24 -0.19 1.54 0.00 -1.26 -0.35 121.76 124.41 1j5i s ALA 109 Ca 0.06 -1.13 -0.29 0.00 0.00 0.00 0.00 51.96 50.60 1j5i s ALA 109 Cb -0.16 -4.55 -0.03 0.00 0.00 0.00 0.00 23.12 18.38 1j5i s ALA 109 CO 0.07 -5.28 1.51 -1.50 0.00 0.00 0.00 175.76 170.57 1j5i s ILE 110 N 12.22 3.84 -1.38 0.00 1.10 -0.59 -4.88 121.20 131.50 1j5i s ILE 110 Ca 0.81 0.98 -0.13 0.00 -0.51 0.00 0.00 60.65 61.80 1j5i s ILE 110 Cb -0.10 -3.78 -0.04 0.00 0.15 0.00 0.00 42.46 38.69 1j5i s ILE 110 CO 0.04 -0.25 2.45 -0.24 -2.11 0.00 0.00 174.94 174.83 1j5i n SER 111 N 7.77 5.59 -3.57 4.50 2.88 -0.76 -4.45 113.62 125.57 1j5i n SER 111 Ca 0.17 -2.67 -0.14 0.00 -1.33 0.00 0.00 58.87 54.90 1j5i n SER 111 Cb 0.45 -1.50 0.12 0.00 -0.75 0.00 0.00 64.21 62.54 1j5i n SER 111 CO 0.00 0.00 0.00 2.22 -1.23 0.00 0.00 175.04 176.03 1j5i n PHE 112 N 5.15 -2.27 0.15 0.66 1.16 -1.26 -1.15 117.46 119.89 1j5i n PHE 112 Ca 0.61 0.08 0.01 0.00 -1.87 0.00 0.00 57.45 56.27 1j5i n PHE 112 Cb 0.30 -1.37 0.07 0.00 -1.61 0.00 0.00 39.48 36.87 1j5i n PHE 112 CO 0.00 0.00 0.00 -1.71 -1.87 0.00 0.00 176.76 173.18