#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 -0.52 -2.32 0.00 0.00 -1.26 -5.10 120.51 111.30 1j5i n ALA 2 Ca 0.00 -1.80 -0.41 0.00 0.00 0.00 0.00 53.44 51.22 1j5i n ALA 2 Cb 0.00 -1.19 -0.03 0.00 0.00 0.00 0.00 19.45 18.23 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 0.13 3.23 1.26 0.00 0.04 -1.26 -4.32 135.00 134.07 1j5i s PRO 3 Ca 0.30 0.54 0.00 0.00 0.04 0.00 0.00 61.00 61.88 1j5i s PRO 3 Cb 0.25 -4.16 0.00 0.00 0.04 0.00 0.00 34.50 30.63 1j5i s PRO 3 CO -0.16 -2.03 0.00 0.25 0.04 0.00 0.00 177.00 175.10 1j5i n THR 4 N 6.94 0.00 -2.37 1.26 -2.24 -1.06 -4.09 114.28 112.72 1j5i n THR 4 Ca 0.14 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.49 1j5i n THR 4 Cb 0.49 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.70 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 -1.22 3.48 0.01 6.98 0.00 -1.20 -1.71 121.76 128.10 1j5i s ALA 5 Ca 0.00 0.31 0.00 0.00 0.00 0.00 0.00 51.96 52.28 1j5i s ALA 5 Cb 0.00 -3.72 -0.01 0.00 0.00 0.00 0.00 23.12 19.39 1j5i s ALA 5 CO 0.00 -1.54 -0.02 0.95 0.00 0.00 0.00 175.76 175.14 1j5i s THR 6 N 4.11 0.12 -0.29 0.00 -4.23 -0.47 -4.46 115.64 110.42 1j5i s THR 6 Ca 0.58 -0.59 -0.23 0.00 -1.18 0.00 0.00 61.69 60.27 1j5i s THR 6 Cb -0.20 -0.21 -0.00 0.00 1.34 0.00 0.00 72.50 73.43 1j5i s THR 6 CO 0.21 -0.30 0.76 -0.69 -0.54 0.00 0.00 174.62 174.06 1j5i s VAL 7 N -0.92 4.83 0.00 2.29 1.01 -1.26 -1.39 120.40 124.96 1j5i s VAL 7 Ca -0.10 1.21 0.00 0.00 0.00 0.00 0.00 61.98 63.09 1j5i s VAL 7 Cb -0.06 -4.11 0.00 0.00 0.00 0.00 0.00 36.38 32.21 1j5i s VAL 7 CO -0.01 -0.19 0.98 0.41 0.00 0.00 0.00 175.10 176.30 1j5i n THR 8 N 5.45 0.00 -0.88 3.92 -1.04 -0.86 -2.64 114.28 118.23 1j5i n THR 8 Ca 0.03 1.48 -0.20 0.00 -2.04 0.00 0.00 64.05 63.32 1j5i n THR 8 Cb 0.48 -2.32 -0.07 0.00 -1.82 0.00 0.00 70.33 66.60 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 -2.28 2.21 -0.43 -2.82 -0.04 -1.26 -4.47 135.00 125.91 1j5i n PRO 9 Ca 0.00 -1.32 -0.03 0.00 -0.04 0.00 0.00 63.50 62.11 1j5i n PRO 9 Cb 0.00 -2.28 0.12 0.00 -0.04 0.00 0.00 33.50 31.30 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 3.35 3.11 -4.27 3.54 3.41 -1.08 -4.57 113.62 117.11 1j5i n SER 10 Ca 0.47 -2.51 -0.33 0.00 -0.26 0.00 0.00 58.87 56.24 1j5i n SER 10 Cb 0.40 -0.61 -0.15 0.00 -0.26 0.00 0.00 64.21 63.59 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 -0.12 3.64 -1.46 4.04 0.15 -1.26 -1.58 113.70 117.10 1j5i s SER 11 Ca 0.23 -0.46 -0.01 0.00 0.70 0.00 0.00 55.95 56.40 1j5i s SER 11 Cb 0.18 -1.55 0.01 0.00 -1.71 0.00 0.00 66.02 62.95 1j5i s SER 11 CO 0.05 0.11 0.33 0.61 1.20 0.00 0.00 173.24 175.54 1j5i n GLY 12 N 3.92 -0.21 3.47 9.45 0.00 -0.98 -4.91 105.19 115.94 1j5i n GLY 12 Ca -0.19 0.15 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 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 -7.09 0.40 0.04 0.99 1.02 -0.45 -4.62 118.68 108.96 1j5i s LEU 13 Ca 0.04 1.24 -0.00 0.00 0.02 0.00 0.00 54.13 55.43 1j5i s LEU 13 Cb -0.02 -3.04 -0.03 0.00 0.02 0.00 0.00 46.19 43.11 1j5i s LEU 13 CO 0.92 -4.38 -0.04 -0.55 0.02 0.00 0.00 176.35 172.33 1j5i s SER 14 N -2.86 0.43 -0.85 2.29 0.15 -1.26 -0.00 113.70 111.59 1j5i s SER 14 Ca 0.68 -0.72 -0.23 0.00 0.70 0.00 0.00 55.95 56.38 1j5i s SER 14 Cb -0.21 0.13 -0.18 0.00 -1.71 0.00 0.00 66.02 64.06 1j5i s SER 14 CO 0.62 -0.42 2.27 -0.90 1.20 0.00 0.00 173.24 176.01 1j5i n ASP 15 N 0.93 1.20 0.00 5.45 5.68 -1.25 -0.22 116.55 128.34 1j5i n ASP 15 Ca -0.19 -1.61 0.00 0.00 -0.50 0.00 0.00 54.79 52.48 1j5i n ASP 15 Cb 0.58 -1.52 0.00 0.00 -1.14 0.00 0.00 41.12 39.04 1j5i n ASP 15 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1j5i n GLY 16 N 6.44 1.26 3.63 6.12 0.00 0.91 -4.84 105.19 118.70 1j5i n GLY 16 Ca 0.46 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.09 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 -2.00 5.12 -0.29 2.61 2.01 0.69 -4.67 115.64 119.11 1j5i s THR 17 Ca 0.00 0.81 -0.29 0.00 0.31 0.00 0.00 61.69 62.52 1j5i s THR 17 Cb 0.00 -3.79 -0.00 0.00 0.01 0.00 0.00 72.50 68.71 1j5i s THR 17 CO 0.00 0.14 1.38 -0.69 -0.69 0.00 0.00 174.62 174.76 1j5i s VAL 18 N 1.99 4.02 0.25 3.82 1.01 -1.26 0.80 120.40 131.02 1j5i s VAL 18 Ca 0.20 1.14 0.11 0.00 0.00 0.00 0.00 61.98 63.44 1j5i s VAL 18 Cb -0.15 -4.06 -0.05 0.00 0.00 0.00 0.00 36.38 32.12 1j5i s VAL 18 CO 0.09 -0.45 -0.19 0.68 0.00 0.00 0.00 175.10 175.22 1j5i s VAL 19 N 4.65 2.32 -0.32 2.92 -7.23 -0.54 -4.89 120.40 117.31 1j5i s VAL 19 Ca 0.60 -2.32 -0.08 0.00 -1.81 0.00 0.00 61.98 58.37 1j5i s VAL 19 Cb -0.18 -2.22 0.01 0.00 0.56 0.00 0.00 36.38 34.55 1j5i s VAL 19 CO 0.25 -0.40 0.12 -0.75 -0.31 0.00 0.00 175.10 174.02 1j5i s LYS 20 N -3.41 3.08 -0.82 4.82 2.20 -1.26 -1.41 119.74 122.93 1j5i s LYS 20 Ca 0.27 -0.88 -0.20 0.00 -0.36 0.00 0.00 55.97 54.80 1j5i s LYS 20 Cb -0.05 -3.49 0.11 0.00 -1.51 0.00 0.00 37.83 32.89 1j5i s LYS 20 CO 0.13 -0.50 1.06 0.08 -0.36 0.00 0.00 175.35 175.76 1j5i s VAL 21 N 1.53 4.57 -0.30 4.02 1.01 0.22 -2.02 120.40 129.43 1j5i s VAL 21 Ca 0.03 -1.11 -0.21 0.00 0.00 0.00 0.00 61.98 60.69 1j5i s VAL 21 Cb -0.18 -4.74 -0.01 0.00 0.00 0.00 0.00 36.38 31.45 1j5i s VAL 21 CO 0.04 -1.49 0.67 0.00 0.00 0.00 0.00 175.10 174.32 1j5i s ALA 22 N 3.23 3.53 -0.61 5.51 0.00 -0.49 -0.92 121.76 132.00 1j5i s ALA 22 Ca 0.28 -0.59 -0.16 0.00 0.00 0.00 0.00 51.96 51.49 1j5i s ALA 22 Cb -0.10 -3.14 0.14 0.00 0.00 0.00 0.00 23.12 20.02 1j5i s ALA 22 CO -0.02 -1.10 0.61 0.20 0.00 0.00 0.00 175.76 175.45 1j5i s GLY 23 N 1.63 2.12 -0.63 0.00 0.00 0.21 -1.37 107.32 109.28 1j5i s GLY 23 Ca 0.27 -2.62 -0.18 0.00 0.00 0.00 0.00 44.72 42.19 1j5i s GLY 23 CO 0.12 1.32 0.73 0.00 0.00 0.00 0.00 173.10 175.27 1j5i s ALA 24 N 1.62 3.48 0.00 3.20 0.00 -0.69 -1.42 121.76 127.94 1j5i s ALA 24 Ca 0.08 -2.38 0.00 0.00 0.00 0.00 0.00 51.96 49.67 1j5i s ALA 24 Cb -0.24 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.32 1j5i s ALA 24 CO 0.01 -2.37 0.00 0.41 0.00 0.00 0.00 175.76 173.81 1j5i n GLY 25 N 5.19 1.09 0.00 0.00 0.00 -0.35 -2.55 105.19 108.57 1j5i n GLY 25 Ca -0.05 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.08 0.00 -4.53 0.99 0.00 -0.50 -4.85 117.00 108.04 1j5i n LEU 26 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 56.01 55.82 1j5i n LEU 26 Cb 0.27 0.00 -0.15 0.00 0.00 0.00 0.00 43.42 43.54 1j5i n LEU 26 CO 0.00 0.00 1.69 0.00 0.00 0.00 0.00 177.39 179.08 1j5i n GLN 27 N 0.00 0.28 -1.05 1.96 6.02 -1.26 -4.51 117.38 118.81 1j5i n GLN 27 Ca 0.00 -0.40 -0.26 0.00 -0.01 0.00 0.00 57.00 56.33 1j5i n GLN 27 Cb 0.00 -2.31 -0.11 0.00 1.02 0.00 0.00 30.24 28.85 1j5i n GLN 27 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1j5i n ALA 28 N 11.94 0.47 -0.74 -1.58 0.00 -1.26 -1.54 120.51 127.80 1j5i n ALA 28 Ca 0.58 -2.29 0.00 0.00 0.00 0.00 0.00 53.44 51.73 1j5i n ALA 28 Cb 0.28 -3.23 0.00 0.00 0.00 0.00 0.00 19.45 16.50 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 5.44 0.79 1.80 0.00 0.00 0.55 -4.68 105.19 109.09 1j5i n GLY 29 Ca 0.40 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.31 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 -2.24 0.00 -3.80 2.61 -1.04 -0.59 -4.79 114.28 104.43 1j5i n THR 30 Ca 0.00 -0.76 -0.12 0.00 -2.04 0.00 0.00 64.05 61.13 1j5i n THR 30 Cb 0.00 -1.09 -0.10 0.00 -1.82 0.00 0.00 70.33 67.31 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 -2.85 -0.58 0.00 2.41 0.00 -1.26 -1.81 121.76 117.67 1j5i s ALA 31 Ca 0.30 0.39 0.00 0.00 0.00 0.00 0.00 51.96 52.65 1j5i s ALA 31 Cb -0.02 -0.15 0.00 0.00 0.00 0.00 0.00 23.12 22.95 1j5i s ALA 31 CO 0.20 -0.18 0.00 0.66 0.00 0.00 0.00 175.76 176.44 1j5i n TYR 32 N 2.15 -0.12 -3.61 0.00 4.01 -0.05 -4.82 117.16 114.71 1j5i n TYR 32 Ca -0.18 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.17 1j5i n TYR 32 Cb 0.57 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.49 1j5i n TYR 32 CO 0.00 0.00 0.00 0.16 -0.46 0.00 0.00 176.86 176.56 1j5i s ASP 33 N -0.54 5.70 -0.02 7.72 1.47 -1.09 0.72 116.67 130.63 1j5i s ASP 33 Ca 0.00 -0.61 -0.21 0.00 1.18 0.00 0.00 52.55 52.91 1j5i s ASP 33 Cb 0.00 -2.04 -0.05 0.00 -0.34 0.00 0.00 42.92 40.49 1j5i s ASP 33 CO 0.00 -0.25 0.62 0.54 0.68 0.00 0.00 175.17 176.76 1j5i s VAL 34 N 1.62 4.93 -0.27 2.11 0.11 -0.46 -0.00 120.40 128.45 1j5i s VAL 34 Ca 0.04 1.29 -0.32 0.00 -2.93 0.00 0.00 61.98 60.06 1j5i s VAL 34 Cb -0.18 -3.96 0.18 0.00 -1.53 0.00 0.00 36.38 30.89 1j5i s VAL 34 CO 0.07 0.38 1.33 -0.83 -3.33 0.00 0.00 175.10 172.73 1j5i s GLY 35 N 0.03 -0.04 -0.54 6.54 0.00 0.92 -0.83 107.32 113.40 1j5i s GLY 35 Ca 0.32 2.45 -0.20 0.00 0.00 0.00 0.00 44.72 47.29 1j5i s GLY 35 CO 0.17 0.93 0.73 -0.86 0.00 0.00 0.00 173.10 174.08 1j5i s GLN 36 N -1.41 3.14 0.10 2.90 -2.07 -1.26 -1.67 119.66 119.40 1j5i s GLN 36 Ca 0.09 -0.85 0.04 0.00 -1.82 0.00 0.00 55.36 52.82 1j5i s GLN 36 Cb -0.01 -4.13 -0.04 0.00 -1.09 0.00 0.00 33.01 27.74 1j5i s GLN 36 CO -0.06 -1.39 0.06 0.00 -1.32 0.00 0.00 175.29 172.59 1j5i n ALA 38 N 0.31 0.00 -1.61 0.00 0.00 -0.60 -1.64 120.51 116.96 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 0.52 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.94 1j5i n ALA 38 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1j5i s TRP 39 N -2.00 1.18 -0.25 0.00 0.51 -1.26 -0.77 118.94 116.34 1j5i s TRP 39 Ca 0.00 0.48 0.03 0.00 -2.12 0.00 0.00 56.10 54.49 1j5i s TRP 39 Cb 0.00 -3.95 -0.18 0.00 -0.81 0.00 0.00 33.47 28.54 1j5i s TRP 39 CO 0.00 -4.17 -0.21 1.55 -0.51 0.00 0.00 176.95 173.61 1j5i n VAL 40 N 7.61 1.48 -0.37 4.03 3.14 -0.46 -4.68 118.33 129.08 1j5i n VAL 40 Ca 0.29 -0.59 0.00 0.00 -2.96 0.00 0.00 64.34 61.08 1j5i n VAL 40 Cb 0.45 -1.35 0.00 0.00 -1.06 0.00 0.00 33.84 31.88 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 -3.22 0.00 -2.66 6.55 4.64 -1.10 -4.85 116.55 115.91 1j5i n ASP 41 Ca -0.45 0.00 -0.26 0.00 -1.38 0.00 0.00 54.79 52.70 1j5i n ASP 41 Cb 1.00 0.00 -0.09 0.00 -1.04 0.00 0.00 41.12 40.99 1j5i n ASP 41 CO 0.00 0.00 0.00 1.07 -0.82 0.00 0.00 177.20 177.45 1j5i n THR 42 N 0.00 3.73 0.00 5.18 5.66 -1.26 -4.06 114.28 123.53 1j5i n THR 42 Ca 0.00 -2.35 0.00 0.00 -3.05 0.00 0.00 64.05 58.65 1j5i n THR 42 Cb 0.00 -2.16 0.00 0.00 -1.55 0.00 0.00 70.33 66.62 1j5i n THR 42 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1j5i n GLY 43 N 2.57 0.76 3.65 1.09 0.00 -1.26 -5.07 105.19 106.92 1j5i n GLY 43 Ca 0.58 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 46.20 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 -2.00 5.01 -0.44 1.61 1.01 -1.26 -4.94 120.40 119.40 1j5i s VAL 44 Ca 0.00 1.16 -0.28 0.00 0.00 0.00 0.00 61.98 62.87 1j5i s VAL 44 Cb 0.00 -3.94 -0.02 0.00 0.00 0.00 0.00 36.38 32.42 1j5i s VAL 44 CO 0.00 0.08 1.88 -0.22 0.00 0.00 0.00 175.10 176.84 1j5i s LEU 45 N 2.13 3.42 -0.02 3.92 0.20 -1.26 -1.35 118.68 125.72 1j5i s LEU 45 Ca 0.28 0.97 0.06 0.00 0.69 0.00 0.00 54.13 56.13 1j5i s LEU 45 Cb -0.16 -3.09 -0.02 0.00 -0.43 0.00 0.00 46.19 42.49 1j5i s LEU 45 CO 0.10 -2.04 -0.21 0.00 -0.29 0.00 0.00 176.35 173.91 1j5i s ALA 46 N 8.09 2.40 0.23 5.97 0.00 0.05 -0.60 121.76 137.89 1j5i s ALA 46 Ca 0.77 -1.08 0.02 0.00 0.00 0.00 0.00 51.96 51.68 1j5i s ALA 46 Cb -0.19 -0.73 -0.03 0.00 0.00 0.00 0.00 23.12 22.17 1j5i s ALA 46 CO 0.29 0.54 0.38 0.00 0.00 0.00 0.00 175.76 176.97 1j5i s ASN 48 N -3.65 5.70 0.31 0.00 0.02 -1.02 -0.59 114.94 115.71 1j5i s ASN 48 Ca 0.36 1.07 0.26 0.00 -1.02 0.00 0.00 52.86 53.53 1j5i s ASN 48 Cb -0.10 -2.00 0.89 0.00 0.02 0.00 0.00 41.25 40.06 1j5i s ASN 48 CO 0.30 -1.12 1.76 1.55 0.02 0.00 0.00 177.10 179.61 1j5i h PRO 49 N -0.41 0.00 -0.50 -0.60 0.13 -1.91 -2.55 132.00 126.17 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 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1j5i h PRO 49 CO 0.63 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.40 1j5i n ALA 50 N -1.87 3.10 1.05 -0.56 0.00 -1.26 -4.26 120.51 116.71 1j5i n ALA 50 Ca 0.03 -1.78 0.05 0.00 0.00 0.00 0.00 53.44 51.74 1j5i n ALA 50 Cb 0.35 -0.88 0.16 0.00 0.00 0.00 0.00 19.45 19.08 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 0.54 1.63 -4.22 0.00 -0.08 -0.96 -4.59 116.55 108.87 1j5i n ASP 51 Ca 0.23 -1.97 -0.42 0.00 -1.51 0.00 0.00 54.79 51.13 1j5i n ASP 51 Cb 0.89 -0.20 -0.05 0.00 2.34 0.00 0.00 41.12 44.11 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 -1.61 3.75 -0.40 -0.67 0.08 -1.21 -2.68 117.98 115.24 1j5i s PHE 52 Ca 0.22 -2.49 0.05 0.00 0.12 0.00 0.00 56.93 54.82 1j5i s PHE 52 Cb 0.11 -3.54 0.17 0.00 -0.57 0.00 0.00 43.02 39.19 1j5i s PHE 52 CO 0.15 -0.90 0.47 -1.12 -0.10 0.00 0.00 175.22 173.72 1j5i s SER 53 N 1.19 0.31 0.22 1.36 0.01 -0.01 -4.97 113.70 111.81 1j5i s SER 53 Ca 0.21 -1.61 -0.29 0.00 1.31 0.00 0.00 55.95 55.57 1j5i s SER 53 Cb -0.13 0.91 -0.16 0.00 0.21 0.00 0.00 66.02 66.85 1j5i s SER 53 CO -0.08 -0.20 0.76 -1.54 0.41 0.00 0.00 173.24 172.59 1j5i n SER 54 N 3.95 -0.14 -4.38 2.44 3.41 -1.26 -1.35 113.62 116.29 1j5i n SER 54 Ca 0.14 1.15 -0.20 0.00 -0.26 0.00 0.00 58.87 59.70 1j5i n SER 54 Cb 0.49 -1.08 -0.10 0.00 -0.26 0.00 0.00 64.21 63.26 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 -0.91 1.73 -0.12 -3.33 0.11 0.22 -4.72 120.40 113.39 1j5i s VAL 55 Ca 0.64 -2.19 -0.06 0.00 -2.93 0.00 0.00 61.98 57.44 1j5i s VAL 55 Cb -0.86 -2.19 0.05 0.00 -1.53 0.00 0.00 36.38 31.85 1j5i s VAL 55 CO 0.57 -0.48 0.27 -0.89 -3.33 0.00 0.00 175.10 171.24 1j5i s THR 56 N -2.97 -0.17 -0.16 5.04 2.01 -1.26 -0.87 115.64 117.26 1j5i s THR 56 Ca 0.25 0.18 -0.06 0.00 0.31 0.00 0.00 61.69 62.37 1j5i s THR 56 Cb 0.01 -0.43 -0.04 0.00 0.01 0.00 0.00 72.50 72.04 1j5i s THR 56 CO 0.09 0.08 0.06 0.00 -0.69 0.00 0.00 174.62 174.15 1j5i s ALA 57 N 1.68 3.41 0.91 7.40 0.00 -0.75 -4.44 121.76 129.97 1j5i s ALA 57 Ca -0.06 -0.74 -0.14 0.00 0.00 0.00 0.00 51.96 51.02 1j5i s ALA 57 Cb -0.11 -1.85 -0.01 0.00 0.00 0.00 0.00 23.12 21.16 1j5i s ALA 57 CO -0.09 0.28 0.25 -0.25 0.00 0.00 0.00 175.76 175.95 1j5i n ASP 58 N 3.20 -2.49 -0.54 0.00 8.00 0.14 -0.33 116.55 124.54 1j5i n ASP 58 Ca -0.17 0.36 0.45 0.00 0.71 0.00 0.00 54.79 56.14 1j5i n ASP 58 Cb 0.53 -1.14 0.73 0.00 -0.02 0.00 0.00 41.12 41.22 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 -1.24 3.56 -0.41 2.24 0.00 -1.85 3.04 119.26 124.61 1j5i h ALA 59 Ca -0.44 -0.06 -0.24 0.00 0.00 0.00 0.00 54.91 54.18 1j5i h ALA 59 Cb 1.30 0.12 -0.12 0.00 0.00 0.00 0.00 17.79 19.09 1j5i h ALA 59 CO 0.34 -2.14 0.30 -1.71 0.00 0.00 0.00 179.25 176.05 1j5i n ASN 60 N -3.81 4.35 -4.34 0.00 5.15 -1.26 -3.79 115.26 111.56 1j5i n ASN 60 Ca 0.37 -2.77 -0.37 0.00 -0.60 0.00 0.00 54.58 51.21 1j5i n ASN 60 Cb 1.79 -0.79 -0.06 0.00 -0.53 0.00 0.00 39.78 40.19 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 0.06 -0.36 3.22 8.20 0.00 1.00 -4.46 105.19 112.86 1j5i n GLY 61 Ca 0.25 0.12 -0.41 0.00 0.00 0.00 0.00 46.02 45.98 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 -3.55 5.76 -0.99 1.61 0.01 -0.96 -1.21 113.70 114.37 1j5i s SER 62 Ca 0.60 -2.01 -0.04 0.00 1.31 0.00 0.00 55.95 55.80 1j5i s SER 62 Cb -0.34 -2.02 0.25 0.00 0.21 0.00 0.00 66.02 64.12 1j5i s SER 62 CO 0.97 -0.68 0.96 0.00 0.41 0.00 0.00 173.24 174.90 1j5i n ALA 63 N 4.78 4.06 -2.73 1.44 0.00 -0.50 0.28 120.51 127.84 1j5i n ALA 63 Ca -0.06 -4.64 -0.43 0.00 0.00 0.00 0.00 53.44 48.31 1j5i n ALA 63 Cb 0.41 -2.01 0.01 0.00 0.00 0.00 0.00 19.45 17.85 1j5i n ALA 63 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1j5i n SER 64 N 2.34 5.65 -4.52 0.00 7.64 -1.24 0.64 113.62 124.12 1j5i n SER 64 Ca 0.23 -3.21 -0.33 0.00 1.01 0.00 0.00 58.87 56.57 1j5i n SER 64 Cb 0.38 -1.40 -0.12 0.00 -1.01 0.00 0.00 64.21 62.05 1j5i n SER 64 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1j5i s THR 65 N -0.83 3.53 -0.07 0.44 -4.23 -0.10 -4.88 115.64 109.49 1j5i s THR 65 Ca 0.36 -0.53 -0.07 0.00 -1.18 0.00 0.00 61.69 60.28 1j5i s THR 65 Cb 0.05 -2.45 -0.04 0.00 1.34 0.00 0.00 72.50 71.39 1j5i s THR 65 CO 0.04 0.57 0.19 -0.94 -0.54 0.00 0.00 174.62 173.93 1j5i s SER 66 N -0.45 6.43 0.24 3.99 1.04 -1.26 0.70 113.70 124.39 1j5i s SER 66 Ca 0.06 0.49 0.00 0.00 0.48 0.00 0.00 55.95 56.99 1j5i s SER 66 Cb -0.12 -2.07 -0.04 0.00 0.10 0.00 0.00 66.02 63.88 1j5i s SER 66 CO 0.02 0.35 0.12 -0.22 0.98 0.00 0.00 173.24 174.49 1j5i s LEU 67 N -1.35 1.43 -0.15 2.42 0.20 -0.50 -4.91 118.68 115.82 1j5i s LEU 67 Ca 0.20 -1.41 -0.15 0.00 0.69 0.00 0.00 54.13 53.46 1j5i s LEU 67 Cb -0.13 0.20 -0.04 0.00 -0.43 0.00 0.00 46.19 45.79 1j5i s LEU 67 CO 0.10 -0.80 0.35 -0.89 -0.29 0.00 0.00 176.35 174.82 1j5i s THR 68 N -3.92 5.27 -1.01 3.68 2.01 -1.26 -1.47 115.64 118.94 1j5i s THR 68 Ca 0.38 0.67 -0.17 0.00 0.31 0.00 0.00 61.69 62.88 1j5i s THR 68 Cb 0.07 -3.69 0.14 0.00 0.01 0.00 0.00 72.50 69.03 1j5i s THR 68 CO 0.13 0.36 1.21 -0.69 -0.69 0.00 0.00 174.62 174.95 1j5i s VAL 69 N 0.58 4.83 -0.99 3.82 1.01 0.24 -4.83 120.40 125.06 1j5i s VAL 69 Ca 0.19 -1.91 -0.04 0.00 0.00 0.00 0.00 61.98 60.22 1j5i s VAL 69 Cb -0.14 -4.81 0.25 0.00 0.00 0.00 0.00 36.38 31.67 1j5i s VAL 69 CO 0.06 -1.53 0.93 0.54 0.00 0.00 0.00 175.10 175.09 1j5i n ARG 70 N 6.24 3.02 0.09 2.72 5.12 -1.26 0.31 116.66 132.89 1j5i n ARG 70 Ca 0.28 -4.48 0.16 0.00 -1.93 0.00 0.00 57.85 51.89 1j5i n ARG 70 Cb 0.47 -2.46 0.69 0.00 -1.16 0.00 0.00 32.46 29.99 1j5i n ARG 70 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1j5i h ARG 71 N 6.20 0.00 -6.03 5.56 -0.00 -1.89 -3.37 114.38 114.85 1j5i h ARG 71 Ca 0.17 0.00 -0.60 0.00 -0.50 0.00 0.00 59.98 59.05 1j5i h ARG 71 Cb 0.83 0.00 -0.11 0.00 0.00 0.00 0.00 29.97 30.69 1j5i h ARG 71 CO 0.93 0.00 0.53 -1.54 0.00 0.00 0.00 179.97 179.88 1j5i s SER 72 N -6.42 6.54 0.00 7.04 1.04 -1.22 -0.80 113.70 119.89 1j5i s SER 72 Ca -0.05 0.25 0.00 0.00 0.48 0.00 0.00 55.95 56.63 1j5i s SER 72 Cb 0.18 -2.44 0.00 0.00 0.10 0.00 0.00 66.02 63.87 1j5i s SER 72 CO 0.70 -0.93 0.00 0.49 0.98 0.00 0.00 173.24 174.48 1j5i n PHE 73 N 6.89 0.00 -2.72 5.02 3.72 -0.22 -4.89 117.46 125.26 1j5i n PHE 73 Ca 0.05 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 57.03 1j5i n PHE 73 Cb 0.48 0.00 -0.03 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 4.17 0.69 -1.08 2.12 -1.25 -0.81 118.70 120.54 1j5i s GLU 74 Ca 0.00 1.14 -0.07 0.00 0.36 0.00 0.00 54.97 56.40 1j5i s GLU 74 Cb 0.00 -3.68 0.05 0.00 0.26 0.00 0.00 34.13 30.76 1j5i s GLU 74 CO 0.00 -0.69 1.01 0.20 -0.54 0.00 0.00 175.26 175.24 1j5i s GLY 75 N 1.39 1.66 -0.04 -1.50 0.00 0.18 -3.26 107.32 105.75 1j5i s GLY 75 Ca 0.42 -0.81 -0.02 0.00 0.00 0.00 0.00 44.72 44.31 1j5i s GLY 75 CO 0.09 -0.43 0.07 -0.12 0.00 0.00 0.00 173.10 172.71 1j5i s PHE 76 N -3.24 0.02 0.32 1.90 2.19 0.24 -1.10 117.98 118.31 1j5i s PHE 76 Ca 0.59 0.27 -0.29 0.00 0.33 0.00 0.00 56.93 57.83 1j5i s PHE 76 Cb -0.11 -0.39 -0.11 0.00 -1.31 0.00 0.00 43.02 41.10 1j5i s PHE 76 CO 0.46 -0.18 1.45 -0.51 1.83 0.00 0.00 175.22 178.27 1j5i s LEU 77 N 1.91 4.37 0.57 6.12 2.01 0.63 -0.81 118.68 133.48 1j5i s LEU 77 Ca 0.01 2.84 0.26 0.00 0.01 0.00 0.00 54.13 57.26 1j5i s LEU 77 Cb -0.12 -3.65 1.59 0.00 0.01 0.00 0.00 46.19 44.03 1j5i s LEU 77 CO -0.03 -0.75 2.13 2.19 1.01 0.00 0.00 176.35 180.90 1j5i h PHE 78 N 3.94 0.00 -0.23 0.29 -0.00 -1.13 -2.02 116.94 117.79 1j5i h PHE 78 Ca -0.48 0.00 0.06 0.00 -0.00 0.00 0.00 57.97 57.55 1j5i h PHE 78 Cb 1.23 0.00 -0.07 0.00 -0.00 0.00 0.00 35.95 37.11 1j5i h PHE 78 CO 0.57 0.00 -0.22 0.22 -0.00 0.00 0.00 178.31 178.87 1j5i h ASP 79 N 0.00 -0.72 0.00 -0.68 1.82 -1.89 -3.46 116.42 111.49 1j5i h ASP 79 Ca 0.07 0.13 0.00 0.00 -0.39 0.00 0.00 57.03 56.84 1j5i h ASP 79 Cb 0.35 0.34 0.00 0.00 0.68 0.00 0.00 39.33 40.70 1j5i h ASP 79 CO -0.00 -0.26 0.00 0.61 -1.61 0.00 0.00 179.24 177.98 1j5i n GLY 80 N -1.37 0.35 3.85 -0.78 0.00 -0.76 -5.14 105.19 101.34 1j5i n GLY 80 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 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 4.73 0.08 2.61 2.01 -1.25 -4.89 115.64 118.92 1j5i s THR 81 Ca 0.00 0.92 -0.16 0.00 0.31 0.00 0.00 61.69 62.76 1j5i s THR 81 Cb 0.00 -3.68 -0.06 0.00 0.01 0.00 0.00 72.50 68.76 1j5i s THR 81 CO 0.00 -0.02 0.51 0.00 -0.69 0.00 0.00 174.62 174.43 1j5i s ARG 82 N -2.59 4.03 0.00 4.92 1.70 -1.26 -0.27 118.95 125.49 1j5i s ARG 82 Ca 0.48 0.54 0.00 0.00 -0.47 0.00 0.00 55.73 56.28 1j5i s ARG 82 Cb -0.12 -3.12 0.00 0.00 -0.57 0.00 0.00 34.95 31.14 1j5i s ARG 82 CO 0.19 0.59 0.00 1.87 -1.08 0.00 0.00 175.30 176.87 1j5i n TRP 83 N 1.38 0.00 0.00 5.89 -0.00 -0.26 -4.81 117.44 119.64 1j5i n TRP 83 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.41 1j5i n TRP 83 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.83 1j5i n TRP 83 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1j5i n GLY 84 N 3.63 0.46 5.00 5.87 0.00 -0.87 -4.73 105.19 114.56 1j5i n GLY 84 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 0.51 114.28 115.10 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 -1.82 12.58 0.31 0.01 -4.65 118.33 124.75 1j5i n VAL 86 Ca 0.00 0.00 -0.20 0.00 -0.01 0.00 0.00 64.34 64.13 1j5i n VAL 86 Cb 0.00 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 32.87 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 4.52 -1.10 4.52 3.68 -1.26 -1.05 116.67 121.98 1j5i s ASP 87 Ca 0.00 -0.38 -0.07 0.00 2.13 0.00 0.00 52.55 54.23 1j5i s ASP 87 Cb 0.00 -2.56 -0.06 0.00 -1.45 0.00 0.00 42.92 38.85 1j5i s ASP 87 CO 0.00 -3.33 2.32 0.00 0.13 0.00 0.00 175.17 174.30 1j5i n THR 89 N 4.13 0.00 -0.08 0.00 5.66 -1.26 -4.58 114.28 118.15 1j5i n THR 89 Ca 0.54 -0.16 -0.08 0.00 -3.05 0.00 0.00 64.05 61.29 1j5i n THR 89 Cb 0.17 0.80 -0.04 0.00 -1.55 0.00 0.00 70.33 69.72 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 0.19 -3.42 1.09 2.02 -2.00 -3.46 112.91 107.34 1j5i h THR 90 Ca 0.00 -1.25 -0.59 0.00 0.77 0.00 0.00 66.41 65.34 1j5i h THR 90 Cb 0.50 0.47 -0.09 0.00 -1.74 0.00 0.00 68.15 67.29 1j5i h THR 90 CO 0.00 0.07 0.04 0.00 0.37 0.00 0.00 175.52 175.99 1j5i s ALA 91 N -2.65 3.52 0.04 6.16 0.00 -1.26 -5.00 121.76 122.57 1j5i s ALA 91 Ca -0.18 -0.27 -0.30 0.00 0.00 0.00 0.00 51.96 51.21 1j5i s ALA 91 Cb 0.03 -2.88 -0.09 0.00 0.00 0.00 0.00 23.12 20.17 1j5i s ALA 91 CO 0.29 -0.42 1.96 0.00 0.00 0.00 0.00 175.76 177.59 1j5i n ALA 92 N 4.72 1.63 -2.68 0.00 0.00 -1.26 -4.89 120.51 118.02 1j5i n ALA 92 Ca -0.03 0.23 -0.39 0.00 0.00 0.00 0.00 53.44 53.24 1j5i n ALA 92 Cb 0.50 -2.67 -0.06 0.00 0.00 0.00 0.00 19.45 17.22 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 1.36 3.10 -0.56 0.00 -0.21 -0.65 -1.87 119.66 120.83 1j5i s GLN 94 Ca 0.28 -0.82 -0.24 0.00 0.02 0.00 0.00 55.36 54.60 1j5i s GLN 94 Cb -0.16 -3.95 0.04 0.00 1.00 0.00 0.00 33.01 29.94 1j5i s GLN 94 CO 0.11 -0.78 0.94 0.08 -2.12 0.00 0.00 175.29 173.53 1j5i s VAL 95 N 1.95 4.39 0.32 1.09 1.01 0.55 -0.41 120.40 129.30 1j5i s VAL 95 Ca 0.09 0.22 -0.11 0.00 0.00 0.00 0.00 61.98 62.18 1j5i s VAL 95 Cb -0.18 -4.55 0.02 0.00 0.00 0.00 0.00 36.38 31.67 1j5i s VAL 95 CO 0.12 -1.14 0.59 -0.83 0.00 0.00 0.00 175.10 173.85 1j5i s GLY 96 N 2.91 0.74 -0.11 4.51 0.00 -0.67 -0.61 107.32 114.08 1j5i s GLY 96 Ca 0.30 -0.99 -0.02 0.00 0.00 0.00 0.00 44.72 44.00 1j5i s GLY 96 CO 0.18 -0.60 -0.03 0.48 0.00 0.00 0.00 173.10 173.13 1j5i s LEU 97 N -3.10 3.33 -0.08 0.66 -0.00 -1.26 -0.05 118.68 118.18 1j5i s LEU 97 Ca 0.22 -0.02 -0.16 0.00 -0.00 0.00 0.00 54.13 54.17 1j5i s LEU 97 Cb -0.02 -1.77 -0.05 0.00 -0.00 0.00 0.00 46.19 44.35 1j5i s LEU 97 CO 0.13 0.29 0.41 -0.55 -0.00 0.00 0.00 176.35 176.62 1j5i s SER 98 N -0.33 6.67 0.78 1.48 0.15 0.10 -4.29 113.70 118.26 1j5i s SER 98 Ca 0.06 0.80 -0.11 0.00 0.70 0.00 0.00 55.95 57.40 1j5i s SER 98 Cb -0.12 -2.25 0.06 0.00 -1.71 0.00 0.00 66.02 62.00 1j5i s SER 98 CO 0.02 0.15 1.09 -1.81 1.20 0.00 0.00 173.24 173.89 1j5i s ASP 99 N -0.07 4.45 -0.01 5.45 1.11 -0.73 -2.67 116.67 124.20 1j5i s ASP 99 Ca 0.23 1.73 0.09 0.00 0.18 0.00 0.00 52.55 54.77 1j5i s ASP 99 Cb -0.15 -2.44 0.27 0.00 1.07 0.00 0.00 42.92 41.66 1j5i s ASP 99 CO 0.10 -2.06 1.19 0.00 1.18 0.00 0.00 175.17 175.58 1j5i n ALA 100 N -3.53 2.54 0.02 5.23 0.00 -1.26 -3.35 120.51 120.15 1j5i n ALA 100 Ca 0.08 -0.55 0.02 0.00 0.00 0.00 0.00 53.44 52.99 1j5i n ALA 100 Cb 0.54 -0.99 -0.09 0.00 0.00 0.00 0.00 19.45 18.91 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 0.35 2.08 0.00 0.00 0.00 -1.26 -4.97 120.51 116.71 1j5i n ALA 101 Ca 0.10 -0.58 0.00 0.00 0.00 0.00 0.00 53.44 52.96 1j5i n ALA 101 Cb 0.30 -0.87 0.00 0.00 0.00 0.00 0.00 19.45 18.88 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 1.39 1.13 3.04 0.00 0.00 -1.21 -5.14 105.19 104.39 1j5i n GLY 102 Ca -0.10 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.00 0.51 -0.43 1.61 0.02 -1.26 -5.05 114.94 108.35 1j5i s ASN 103 Ca 0.00 -0.64 0.09 0.00 -1.02 0.00 0.00 52.86 51.29 1j5i s ASN 103 Cb 0.00 0.10 0.32 0.00 0.02 0.00 0.00 41.25 41.69 1j5i s ASN 103 CO 0.00 -0.34 0.73 0.61 0.02 0.00 0.00 177.10 178.12 1j5i n GLY 104 N 1.16 3.91 0.16 0.66 0.00 -1.26 -1.77 105.19 108.06 1j5i n GLY 104 Ca -0.21 -1.95 0.03 0.00 0.00 0.00 0.00 46.02 43.90 1j5i n GLY 104 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1j5i h PRO 105 N 3.29 0.00 -6.83 1.61 0.13 -1.99 -3.44 132.00 124.77 1j5i h PRO 105 Ca 0.11 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.76 1j5i h PRO 105 Cb 0.84 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.95 1j5i h PRO 105 CO 0.57 0.48 0.35 -1.21 -0.23 0.00 0.00 178.00 177.96 1j5i s GLU 106 N -3.35 4.70 0.00 0.86 8.01 -1.26 -5.00 118.70 122.66 1j5i s GLU 106 Ca 0.01 1.40 0.00 0.00 0.01 0.00 0.00 54.97 56.39 1j5i s GLU 106 Cb 0.10 -3.00 0.00 0.00 -4.31 0.00 0.00 34.13 26.92 1j5i s GLU 106 CO 0.72 0.38 0.00 0.41 0.01 0.00 0.00 175.26 176.77 1j5i n GLY 107 N 0.95 1.02 3.77 -1.39 0.00 -1.26 -4.36 105.19 103.92 1j5i n GLY 107 Ca 0.00 0.52 -0.38 0.00 0.00 0.00 0.00 46.02 46.17 1j5i n GLY 107 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1j5i s VAL 108 N 0.00 5.12 -0.78 1.61 0.11 0.22 -4.69 120.40 121.98 1j5i s VAL 108 Ca 0.00 0.88 -0.25 0.00 -2.93 0.00 0.00 61.98 59.68 1j5i s VAL 108 Cb 0.00 -3.76 -0.03 0.00 -1.53 0.00 0.00 36.38 31.06 1j5i s VAL 108 CO 0.00 0.44 1.84 0.00 -3.33 0.00 0.00 175.10 174.05 1j5i s ALA 109 N -0.12 2.01 -0.15 1.54 0.00 -1.26 -0.33 121.76 123.45 1j5i s ALA 109 Ca 0.24 -1.20 -0.29 0.00 0.00 0.00 0.00 51.96 50.71 1j5i s ALA 109 Cb -0.16 -4.43 -0.03 0.00 0.00 0.00 0.00 23.12 18.50 1j5i s ALA 109 CO 0.11 -4.27 1.49 0.42 0.00 0.00 0.00 175.76 173.51 1j5i s ILE 110 N 9.06 3.89 -0.84 0.00 1.01 -0.78 -4.87 121.20 128.67 1j5i s ILE 110 Ca 0.65 1.05 -0.06 0.00 0.00 0.00 0.00 60.65 62.29 1j5i s ILE 110 Cb -0.09 -3.75 -0.09 0.00 0.01 0.00 0.00 42.46 38.55 1j5i s ILE 110 CO 0.08 -0.17 2.39 -0.24 0.00 0.00 0.00 174.94 177.00 1j5i n SER 111 N 7.28 5.33 -3.10 3.58 2.88 -0.62 -4.49 113.62 124.47 1j5i n SER 111 Ca 0.16 -2.33 -0.28 0.00 -1.33 0.00 0.00 58.87 55.09 1j5i n SER 111 Cb 0.44 -1.15 0.01 0.00 -0.75 0.00 0.00 64.21 62.77 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 3.72 -2.71 0.00 0.66 1.16 -1.26 -1.33 117.46 117.70 1j5i n PHE 112 Ca 0.47 0.22 0.00 0.00 -1.87 0.00 0.00 57.45 56.28 1j5i n PHE 112 Cb 0.26 -1.20 0.00 0.00 -1.61 0.00 0.00 39.48 36.94 1j5i n PHE 112 CO 0.00 0.00 0.00 -1.71 -1.87 0.00 0.00 176.76 173.18