#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 -0.06 1.28 0.00 0.00 -1.26 -3.66 120.51 116.81 1j5i n ALA 2 Ca 0.00 0.01 0.12 0.00 0.00 0.00 0.00 53.44 53.56 1j5i n ALA 2 Cb 0.00 -0.02 0.64 0.00 0.00 0.00 0.00 19.45 20.07 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 -0.92 0.53 -0.23 0.00 -0.04 -1.22 -4.83 135.00 128.28 1j5i n PRO 3 Ca 0.00 0.04 -0.08 0.00 -0.04 0.00 0.00 63.50 63.41 1j5i n PRO 3 Cb 0.01 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.05 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 -1.15 0.00 -1.68 0.52 -2.24 0.48 0.22 114.28 110.43 1j5i n THR 4 Ca 0.14 0.00 -0.51 0.00 -2.27 0.00 0.00 64.05 61.41 1j5i n THR 4 Cb 0.13 -0.27 -0.06 0.00 -2.10 0.00 0.00 70.33 68.04 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 -3.10 0.40 -2.42 6.98 0.00 -1.26 -3.69 120.51 117.43 1j5i n ALA 5 Ca -0.05 0.36 -0.28 0.00 0.00 0.00 0.00 53.44 53.47 1j5i n ALA 5 Cb 0.17 -2.35 -0.15 0.00 0.00 0.00 0.00 19.45 17.12 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 3.11 1.83 -0.25 0.00 -4.23 -0.80 -4.64 115.64 110.65 1j5i s THR 6 Ca 0.92 -1.20 -0.26 0.00 -1.18 0.00 0.00 61.69 59.97 1j5i s THR 6 Cb -0.84 -1.57 0.00 0.00 1.34 0.00 0.00 72.50 71.43 1j5i s THR 6 CO 0.54 0.32 0.88 -0.69 -0.54 0.00 0.00 174.62 175.13 1j5i s VAL 7 N -0.74 4.77 0.01 2.29 1.01 -1.24 -2.18 120.40 124.33 1j5i s VAL 7 Ca 0.09 1.62 -0.07 0.00 0.00 0.00 0.00 61.98 63.62 1j5i s VAL 7 Cb -0.09 -4.18 -0.04 0.00 0.00 0.00 0.00 36.38 32.07 1j5i s VAL 7 CO 0.01 -0.15 1.02 0.74 0.00 0.00 0.00 175.10 176.72 1j5i h THR 8 N 5.48 0.00 0.00 3.92 2.02 -1.80 -3.17 112.91 119.37 1j5i h THR 8 Ca -0.22 -0.02 -0.24 0.00 0.77 0.00 0.00 66.41 66.69 1j5i h THR 8 Cb 1.08 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.46 1j5i h THR 8 CO 0.91 0.00 0.77 -0.81 0.37 0.00 0.00 175.52 176.75 1j5i n PRO 9 N -2.78 1.86 0.00 6.66 -0.04 -1.26 -4.21 135.00 135.23 1j5i n PRO 9 Ca -0.03 -1.04 0.14 0.00 -0.04 0.00 0.00 63.50 62.53 1j5i n PRO 9 Cb 0.11 -2.08 0.55 0.00 -0.04 0.00 0.00 33.50 32.04 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 2.99 1.01 -4.68 3.54 3.41 -1.20 -4.36 113.62 114.35 1j5i n SER 10 Ca 0.40 -1.11 -0.41 0.00 -0.26 0.00 0.00 58.87 57.49 1j5i n SER 10 Cb 0.54 0.02 -0.04 0.00 -0.26 0.00 0.00 64.21 64.47 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 -2.22 6.93 -1.08 4.04 0.15 -1.25 -1.72 113.70 118.55 1j5i s SER 11 Ca 0.34 1.14 -0.04 0.00 0.70 0.00 0.00 55.95 58.08 1j5i s SER 11 Cb 0.20 -2.44 0.04 0.00 -1.71 0.00 0.00 66.02 62.12 1j5i s SER 11 CO 0.41 -0.34 0.11 0.61 1.20 0.00 0.00 173.24 175.23 1j5i n GLY 12 N 3.45 -0.13 0.00 9.45 0.00 0.80 -4.85 105.19 113.91 1j5i n GLY 12 Ca 0.03 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 -3.20 0.00 -4.09 0.99 -0.00 -0.87 -5.03 117.00 104.80 1j5i n LEU 13 Ca -0.13 0.00 -0.12 0.00 -0.00 0.00 0.00 56.01 55.76 1j5i n LEU 13 Cb 0.41 0.00 -0.11 0.00 -0.00 0.00 0.00 43.42 43.72 1j5i n LEU 13 CO 0.58 -1.47 -0.39 -0.55 -0.00 0.00 0.00 177.39 175.55 1j5i s SER 14 N -1.99 0.86 -1.04 1.45 0.15 -1.26 -5.02 113.70 106.85 1j5i s SER 14 Ca 0.00 -0.69 -0.25 0.00 0.70 0.00 0.00 55.95 55.71 1j5i s SER 14 Cb 0.00 0.06 -0.16 0.00 -1.71 0.00 0.00 66.02 64.21 1j5i s SER 14 CO 0.00 -0.30 2.11 1.51 1.20 0.00 0.00 173.24 177.76 1j5i s ASP 15 N -2.02 4.03 0.00 5.45 3.84 -1.26 -0.86 116.67 125.86 1j5i s ASP 15 Ca -0.04 -0.94 0.00 0.00 -0.00 0.00 0.00 52.55 51.57 1j5i s ASP 15 Cb -0.05 -2.58 0.00 0.00 -1.38 0.00 0.00 42.92 38.90 1j5i s ASP 15 CO -0.02 -4.04 0.00 0.61 -0.00 0.00 0.00 175.17 171.72 1j5i n GLY 16 N 6.24 1.62 3.73 2.12 0.00 0.40 -4.69 105.19 114.62 1j5i n GLY 16 Ca 0.43 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.08 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 -1.83 5.28 -0.25 2.61 2.01 -0.04 -4.78 115.64 118.64 1j5i s THR 17 Ca 0.00 0.62 -0.29 0.00 0.31 0.00 0.00 61.69 62.33 1j5i s THR 17 Cb 0.00 -3.66 -0.01 0.00 0.01 0.00 0.00 72.50 68.83 1j5i s THR 17 CO 0.00 0.38 1.41 -0.69 -0.69 0.00 0.00 174.62 175.04 1j5i s VAL 18 N 0.44 3.99 0.28 3.82 1.01 -1.26 -0.32 120.40 128.37 1j5i s VAL 18 Ca 0.18 1.13 0.12 0.00 0.00 0.00 0.00 61.98 63.41 1j5i s VAL 18 Cb -0.13 -3.96 -0.05 0.00 0.00 0.00 0.00 36.38 32.23 1j5i s VAL 18 CO 0.05 -0.35 -0.19 0.68 0.00 0.00 0.00 175.10 175.29 1j5i s VAL 19 N 4.51 2.48 -0.25 2.92 -7.23 0.17 -4.85 120.40 118.16 1j5i s VAL 19 Ca 0.62 -2.39 -0.06 0.00 -1.81 0.00 0.00 61.98 58.34 1j5i s VAL 19 Cb -0.21 -2.33 -0.01 0.00 0.56 0.00 0.00 36.38 34.39 1j5i s VAL 19 CO 0.24 -0.39 0.02 -0.54 -0.31 0.00 0.00 175.10 174.13 1j5i s LYS 20 N -3.52 3.34 -0.93 4.82 1.02 -1.26 -1.34 119.74 121.86 1j5i s LYS 20 Ca 0.30 -0.67 -0.12 0.00 0.02 0.00 0.00 55.97 55.50 1j5i s LYS 20 Cb -0.05 -3.20 0.24 0.00 -0.52 0.00 0.00 37.83 34.30 1j5i s LYS 20 CO 0.15 -0.28 0.90 0.08 -0.92 0.00 0.00 175.35 175.28 1j5i s VAL 21 N 1.51 5.75 -0.08 3.17 1.01 0.31 -2.16 120.40 129.92 1j5i s VAL 21 Ca 0.05 -2.82 0.05 0.00 0.00 0.00 0.00 61.98 59.26 1j5i s VAL 21 Cb -0.15 -4.52 -0.00 0.00 0.00 0.00 0.00 36.38 31.70 1j5i s VAL 21 CO 0.00 -1.09 -0.23 0.00 0.00 0.00 0.00 175.10 173.78 1j5i s ALA 22 N -0.34 2.07 0.00 5.51 0.00 -0.93 -0.09 121.76 127.98 1j5i s ALA 22 Ca 0.23 -0.95 0.00 0.00 0.00 0.00 0.00 51.96 51.23 1j5i s ALA 22 Cb -0.10 -0.71 0.00 0.00 0.00 0.00 0.00 23.12 22.31 1j5i s ALA 22 CO -0.09 0.33 0.00 0.41 0.00 0.00 0.00 175.76 176.42 1j5i n GLY 23 N 3.26 -1.21 3.14 0.00 0.00 -0.48 -1.91 105.19 107.98 1j5i n GLY 23 Ca -0.18 -0.84 -0.12 0.00 0.00 0.00 0.00 46.02 44.88 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 -1.00 -0.43 0.00 4.61 0.00 0.60 -0.51 121.76 125.04 1j5i s ALA 24 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 51.96 51.92 1j5i s ALA 24 Cb 0.00 0.11 0.00 0.00 0.00 0.00 0.00 23.12 23.23 1j5i s ALA 24 CO 0.00 -0.22 0.00 0.41 0.00 0.00 0.00 175.76 175.95 1j5i n GLY 25 N 1.39 1.61 0.00 0.00 0.00 0.15 0.18 105.19 108.52 1j5i n GLY 25 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.79 1j5i n GLY 25 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1j5i n LEU 26 N 0.00 0.00 -4.54 0.99 -0.00 -0.70 -4.73 117.00 108.02 1j5i n LEU 26 Ca 0.00 0.00 -0.21 0.00 -0.00 0.00 0.00 56.01 55.80 1j5i n LEU 26 Cb 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 43.42 43.31 1j5i n LEU 26 CO 0.00 0.00 1.62 0.00 -0.00 0.00 0.00 177.39 179.01 1j5i n GLN 27 N 0.00 0.46 -1.51 1.96 1.13 -1.26 -4.56 117.38 113.60 1j5i n GLN 27 Ca 0.00 -0.46 -0.15 0.00 -1.94 0.00 0.00 57.00 54.45 1j5i n GLN 27 Cb 0.00 -2.86 -0.11 0.00 0.11 0.00 0.00 30.24 27.37 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 14.59 0.22 -0.87 -1.58 0.00 -1.26 -1.53 120.51 130.08 1j5i n ALA 28 Ca 0.52 -2.19 0.00 0.00 0.00 0.00 0.00 53.44 51.76 1j5i n ALA 28 Cb 0.35 -3.24 0.00 0.00 0.00 0.00 0.00 19.45 16.56 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 6.02 0.81 2.07 0.00 0.00 -0.34 -4.69 105.19 109.07 1j5i n GLY 29 Ca 0.39 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.29 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 -2.29 0.00 -3.61 2.61 -1.04 -0.58 -4.80 114.28 104.57 1j5i n THR 30 Ca 0.00 -0.82 -0.21 0.00 -2.04 0.00 0.00 64.05 60.97 1j5i n THR 30 Cb 0.00 -1.15 -0.16 0.00 -1.82 0.00 0.00 70.33 67.20 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 -3.04 0.13 0.53 2.41 0.00 -1.26 -1.59 121.76 118.94 1j5i s ALA 31 Ca 0.36 0.10 0.02 0.00 0.00 0.00 0.00 51.96 52.44 1j5i s ALA 31 Cb -0.02 -0.94 0.01 0.00 0.00 0.00 0.00 23.12 22.17 1j5i s ALA 31 CO 0.24 -0.89 0.14 0.71 0.00 0.00 0.00 175.76 175.95 1j5i s TYR 32 N 2.21 1.72 -0.36 0.00 1.51 0.11 -4.88 117.35 117.66 1j5i s TYR 32 Ca 0.04 -0.94 -0.16 0.00 -1.01 0.00 0.00 57.07 54.99 1j5i s TYR 32 Cb -0.14 -1.70 -0.00 0.00 -0.11 0.00 0.00 41.96 40.01 1j5i s TYR 32 CO -0.07 -0.03 0.41 -0.51 -1.11 0.00 0.00 175.55 174.24 1j5i s ASP 33 N -4.03 6.21 0.18 2.29 1.11 -0.98 0.56 116.67 122.01 1j5i s ASP 33 Ca 0.13 -0.31 -0.29 0.00 0.18 0.00 0.00 52.55 52.26 1j5i s ASP 33 Cb -0.00 -2.22 -0.08 0.00 1.07 0.00 0.00 42.92 41.70 1j5i s ASP 33 CO 0.08 -0.43 0.92 0.54 1.18 0.00 0.00 175.17 177.46 1j5i s VAL 34 N 2.11 4.28 0.00 -1.27 0.11 -0.33 -1.06 120.40 124.25 1j5i s VAL 34 Ca 0.13 2.02 0.00 0.00 -2.93 0.00 0.00 61.98 61.20 1j5i s VAL 34 Cb -0.16 -4.30 0.00 0.00 -1.53 0.00 0.00 36.38 30.39 1j5i s VAL 34 CO 0.12 0.43 0.00 0.61 -3.33 0.00 0.00 175.10 172.94 1j5i n GLY 35 N 1.81 0.89 3.40 6.54 0.00 0.57 -0.04 105.19 118.35 1j5i n GLY 35 Ca -0.01 -0.59 -0.44 0.00 0.00 0.00 0.00 46.02 44.97 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 3.10 0.11 1.61 -2.07 -1.26 -0.95 119.66 118.20 1j5i s GLN 36 Ca 0.00 -1.22 0.04 0.00 -1.82 0.00 0.00 55.36 52.36 1j5i s GLN 36 Cb 0.00 -4.29 -0.04 0.00 -1.09 0.00 0.00 33.01 27.59 1j5i s GLN 36 CO 0.00 -1.63 0.08 0.00 -1.32 0.00 0.00 175.29 172.42 1j5i n ALA 38 N 0.18 0.00 -1.57 0.00 0.00 -0.35 -1.57 120.51 117.20 1j5i n ALA 38 Ca -0.09 0.00 -0.45 0.00 0.00 0.00 0.00 53.44 52.90 1j5i n ALA 38 Cb 0.53 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.94 1j5i n ALA 38 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 177.50 174.83 1j5i n TRP 39 N -0.08 1.92 -0.10 0.00 2.14 -1.26 -0.96 117.44 119.10 1j5i n TRP 39 Ca 0.00 -0.05 -0.21 0.00 2.07 0.00 0.00 57.50 59.31 1j5i n TRP 39 Cb 0.00 -2.69 -0.12 0.00 -0.81 0.00 0.00 31.31 27.69 1j5i n TRP 39 CO 0.00 0.00 0.00 1.55 2.07 0.00 0.00 177.69 181.31 1j5i n VAL 40 N 7.45 1.56 -1.10 -1.67 3.14 -0.22 -4.67 118.33 122.82 1j5i n VAL 40 Ca 0.32 -0.52 0.00 0.00 -2.96 0.00 0.00 64.34 61.18 1j5i n VAL 40 Cb 0.39 -1.61 0.00 0.00 -1.06 0.00 0.00 33.84 31.56 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 -3.57 0.00 -4.23 6.55 4.64 -1.16 -4.88 116.55 113.90 1j5i n ASP 41 Ca -0.44 -0.06 -0.30 0.00 -1.38 0.00 0.00 54.79 52.60 1j5i n ASP 41 Cb 0.96 0.00 -0.08 0.00 -1.04 0.00 0.00 41.12 40.96 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 -0.09 1.22 -1.13 5.18 -1.04 -1.26 -3.17 114.28 113.99 1j5i n THR 42 Ca 0.00 -1.20 -0.05 0.00 -2.04 0.00 0.00 64.05 60.76 1j5i n THR 42 Cb 0.00 -2.14 -0.02 0.00 -1.82 0.00 0.00 70.33 66.35 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 5.49 0.68 3.58 3.41 0.00 -1.26 -4.97 105.19 112.12 1j5i n GLY 43 Ca 0.45 -0.31 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 1j5i n GLY 43 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1j5i s VAL 44 N -1.95 4.98 -0.45 1.61 1.01 -1.19 -4.93 120.40 119.48 1j5i s VAL 44 Ca 0.00 0.55 -0.27 0.00 0.00 0.00 0.00 61.98 62.26 1j5i s VAL 44 Cb 0.00 -3.97 -0.06 0.00 0.00 0.00 0.00 36.38 32.35 1j5i s VAL 44 CO 0.00 -0.18 2.26 -0.76 0.00 0.00 0.00 175.10 176.42 1j5i s LEU 45 N 2.48 3.40 -0.08 3.92 1.43 -1.26 -1.06 118.68 127.52 1j5i s LEU 45 Ca 0.21 1.13 0.03 0.00 -1.03 0.00 0.00 54.13 54.47 1j5i s LEU 45 Cb -0.15 -2.75 -0.02 0.00 0.03 0.00 0.00 46.19 43.30 1j5i s LEU 45 CO 0.13 -2.58 -0.15 0.00 0.23 0.00 0.00 176.35 173.98 1j5i s ALA 46 N 10.77 2.62 0.18 4.21 0.00 -0.14 0.02 121.76 139.41 1j5i s ALA 46 Ca 0.93 -0.96 0.04 0.00 0.00 0.00 0.00 51.96 51.97 1j5i s ALA 46 Cb -0.20 -1.02 -0.03 0.00 0.00 0.00 0.00 23.12 21.87 1j5i s ALA 46 CO 0.27 0.45 0.29 0.00 0.00 0.00 0.00 175.76 176.77 1j5i s ASN 48 N -3.45 5.41 0.13 0.00 0.02 -1.09 -0.67 114.94 115.29 1j5i s ASN 48 Ca 0.34 0.76 0.24 0.00 -1.02 0.00 0.00 52.86 53.17 1j5i s ASN 48 Cb -0.10 -1.64 0.91 0.00 0.02 0.00 0.00 41.25 40.44 1j5i s ASN 48 CO 0.28 -1.22 1.73 -0.81 0.02 0.00 0.00 177.10 177.09 1j5i n PRO 49 N -2.74 0.13 -0.44 -0.60 -0.04 -1.25 -2.17 135.00 127.90 1j5i n PRO 49 Ca 0.06 0.23 0.08 0.00 -0.04 0.00 0.00 63.50 63.83 1j5i n PRO 49 Cb 0.58 -1.69 0.27 0.00 -0.04 0.00 0.00 33.50 32.62 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 -1.66 2.80 0.66 0.55 0.00 -1.26 -4.32 120.51 117.28 1j5i n ALA 50 Ca 0.04 -1.68 0.05 0.00 0.00 0.00 0.00 53.44 51.86 1j5i n ALA 50 Cb 0.30 -0.75 0.17 0.00 0.00 0.00 0.00 19.45 19.17 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 0.45 2.28 -4.19 0.00 -0.08 -0.92 -4.58 116.55 109.51 1j5i n ASP 51 Ca 0.20 -2.11 -0.41 0.00 -1.51 0.00 0.00 54.79 50.97 1j5i n ASP 51 Cb 0.76 -0.33 -0.07 0.00 2.34 0.00 0.00 41.12 43.83 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 -1.60 3.54 -0.42 -0.67 0.08 -1.21 -2.72 117.98 114.99 1j5i s PHE 52 Ca 0.25 -2.36 0.05 0.00 0.12 0.00 0.00 56.93 54.99 1j5i s PHE 52 Cb 0.15 -3.46 0.17 0.00 -0.57 0.00 0.00 43.02 39.30 1j5i s PHE 52 CO 0.15 -0.91 0.50 -1.12 -0.10 0.00 0.00 175.22 173.73 1j5i s SER 53 N 1.44 0.11 0.42 1.36 0.01 0.95 -4.97 113.70 113.02 1j5i s SER 53 Ca 0.16 -1.71 -0.16 0.00 1.31 0.00 0.00 55.95 55.55 1j5i s SER 53 Cb -0.17 0.97 -0.13 0.00 0.21 0.00 0.00 66.02 66.89 1j5i s SER 53 CO -0.05 -0.18 -0.09 -0.24 0.41 0.00 0.00 173.24 173.09 1j5i n SER 54 N 3.76 -3.09 -3.65 2.44 2.88 -1.26 -1.18 113.62 113.52 1j5i n SER 54 Ca 0.16 0.58 -0.15 0.00 -1.33 0.00 0.00 58.87 58.13 1j5i n SER 54 Cb 0.50 -0.74 -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 -1.70 0.02 -0.04 2.46 1.01 0.19 -4.57 120.40 117.77 1j5i s VAL 55 Ca 0.49 -0.18 0.02 0.00 0.00 0.00 0.00 61.98 62.32 1j5i s VAL 55 Cb -0.44 -0.80 0.01 0.00 0.00 0.00 0.00 36.38 35.15 1j5i s VAL 55 CO 0.57 -0.10 -0.09 -0.89 0.00 0.00 0.00 175.10 174.58 1j5i s THR 56 N -0.93 0.86 -0.07 3.92 2.01 -1.26 0.04 115.64 120.22 1j5i s THR 56 Ca -0.10 -0.36 -0.03 0.00 0.31 0.00 0.00 61.69 61.51 1j5i s THR 56 Cb -0.03 -0.79 -0.04 0.00 0.01 0.00 0.00 72.50 71.65 1j5i s THR 56 CO 0.06 0.28 0.09 0.00 -0.69 0.00 0.00 174.62 174.35 1j5i s ALA 57 N 0.46 3.63 0.89 7.40 0.00 -0.62 -4.56 121.76 128.96 1j5i s ALA 57 Ca -0.08 -0.76 -0.11 0.00 0.00 0.00 0.00 51.96 51.01 1j5i s ALA 57 Cb -0.12 -1.71 0.13 0.00 0.00 0.00 0.00 23.12 21.42 1j5i s ALA 57 CO 0.01 0.64 1.16 -0.51 0.00 0.00 0.00 175.76 177.07 1j5i s ASP 58 N -1.23 3.03 0.46 0.00 -0.00 0.17 -1.23 116.67 117.87 1j5i s ASP 58 Ca 0.17 2.25 0.38 0.00 -0.00 0.00 0.00 52.55 55.36 1j5i s ASP 58 Cb -0.12 -2.57 1.50 0.00 -0.00 0.00 0.00 42.92 41.73 1j5i s ASP 58 CO 0.07 -3.04 1.46 0.00 -0.00 0.00 0.00 175.17 173.66 1j5i n ALA 59 N -4.03 1.52 -0.33 5.23 0.00 -1.26 0.41 120.51 122.05 1j5i n ALA 59 Ca 0.12 0.72 -0.12 0.00 0.00 0.00 0.00 53.44 54.17 1j5i n ALA 59 Cb 0.52 -1.03 0.05 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 -4.20 4.71 -3.87 0.00 5.15 -1.26 -3.71 115.26 112.07 1j5i n ASN 60 Ca 0.40 -2.79 -0.30 0.00 -0.60 0.00 0.00 54.58 51.29 1j5i n ASN 60 Cb 1.67 -0.84 -0.04 0.00 -0.53 0.00 0.00 39.78 40.04 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 0.18 -0.44 3.49 8.20 0.00 1.39 -4.09 105.19 113.91 1j5i n GLY 61 Ca 0.24 0.07 -0.43 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.91 6.27 -0.42 1.61 0.01 -0.96 0.33 113.70 117.64 1j5i s SER 62 Ca 0.58 -0.59 -0.10 0.00 1.31 0.00 0.00 55.95 57.15 1j5i s SER 62 Cb -0.33 -2.30 0.07 0.00 0.21 0.00 0.00 66.02 63.67 1j5i s SER 62 CO 0.71 -0.81 0.27 0.00 0.41 0.00 0.00 173.24 173.82 1j5i s ALA 63 N 2.71 3.32 -0.80 1.44 0.00 0.33 0.45 121.76 129.22 1j5i s ALA 63 Ca 0.19 -2.05 0.02 0.00 0.00 0.00 0.00 51.96 50.12 1j5i s ALA 63 Cb -0.16 -2.70 0.32 0.00 0.00 0.00 0.00 23.12 20.58 1j5i s ALA 63 CO 0.16 -1.60 1.30 0.43 0.00 0.00 0.00 175.76 176.04 1j5i n SER 64 N 4.97 5.64 -4.65 0.00 7.64 -1.25 -1.39 113.62 124.58 1j5i n SER 64 Ca -0.11 -3.64 -0.30 0.00 1.01 0.00 0.00 58.87 55.84 1j5i n SER 64 Cb 0.44 -0.86 -0.09 0.00 -1.01 0.00 0.00 64.21 62.69 1j5i n SER 64 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1j5i s THR 65 N -4.04 3.81 0.07 0.44 2.01 0.87 -4.89 115.64 113.91 1j5i s THR 65 Ca 0.43 -1.09 0.07 0.00 0.31 0.00 0.00 61.69 61.40 1j5i s THR 65 Cb 0.21 -2.81 -0.03 0.00 0.01 0.00 0.00 72.50 69.88 1j5i s THR 65 CO -0.10 0.11 -0.18 -0.94 -0.69 0.00 0.00 174.62 172.82 1j5i s SER 66 N -2.30 2.19 0.39 3.53 1.04 -1.26 0.11 113.70 117.40 1j5i s SER 66 Ca 0.25 -0.58 -0.15 0.00 0.48 0.00 0.00 55.95 55.95 1j5i s SER 66 Cb -0.11 -0.14 0.06 0.00 0.10 0.00 0.00 66.02 65.93 1j5i s SER 66 CO 0.17 0.06 0.78 -0.22 0.98 0.00 0.00 173.24 175.01 1j5i s LEU 67 N -1.51 0.08 -0.18 2.42 2.96 -0.45 -4.91 118.68 117.08 1j5i s LEU 67 Ca 0.04 -1.20 -0.06 0.00 -0.22 0.00 0.00 54.13 52.68 1j5i s LEU 67 Cb -0.09 2.79 -0.04 0.00 0.50 0.00 0.00 46.19 49.35 1j5i s LEU 67 CO 0.03 -1.70 0.04 -0.89 -1.32 0.00 0.00 176.35 172.51 1j5i s THR 68 N -2.23 4.52 -0.97 3.68 2.01 -1.26 0.45 115.64 121.83 1j5i s THR 68 Ca 0.16 -0.13 -0.20 0.00 0.31 0.00 0.00 61.69 61.84 1j5i s THR 68 Cb -0.05 -3.03 0.11 0.00 0.01 0.00 0.00 72.50 69.54 1j5i s THR 68 CO 0.12 0.45 1.24 -0.69 -0.69 0.00 0.00 174.62 175.06 1j5i s VAL 69 N 0.51 4.51 -1.36 3.82 1.01 0.56 -4.80 120.40 124.65 1j5i s VAL 69 Ca 0.02 -1.41 -0.09 0.00 0.00 0.00 0.00 61.98 60.50 1j5i s VAL 69 Cb -0.13 -4.87 0.11 0.00 0.00 0.00 0.00 36.38 31.48 1j5i s VAL 69 CO 0.01 -1.64 2.18 0.54 0.00 0.00 0.00 175.10 176.19 1j5i n ARG 70 N 7.18 3.73 -0.41 2.72 1.74 -1.26 -0.46 116.66 129.90 1j5i n ARG 70 Ca 0.27 -3.21 0.36 0.00 -0.77 0.00 0.00 57.85 54.51 1j5i n ARG 70 Cb 0.49 -2.91 0.63 0.00 -1.02 0.00 0.00 32.46 29.66 1j5i n ARG 70 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1j5i n ARG 71 N 3.71 -0.04 -2.73 5.56 0.63 -1.26 -4.02 116.66 118.51 1j5i n ARG 71 Ca 0.51 1.25 -0.42 0.00 -0.92 0.00 0.00 57.85 58.27 1j5i n ARG 71 Cb 0.33 -2.39 -0.03 0.00 0.45 0.00 0.00 32.46 30.82 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 -4.36 7.17 0.00 6.15 1.04 -1.26 -1.28 113.70 121.17 1j5i s SER 72 Ca -0.08 1.44 0.00 0.00 0.48 0.00 0.00 55.95 57.80 1j5i s SER 72 Cb 0.31 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.89 1j5i s SER 72 CO 0.78 -0.46 0.00 0.49 0.98 0.00 0.00 173.24 175.03 1j5i n PHE 73 N 5.19 0.00 -2.72 5.02 3.72 0.10 -4.88 117.46 123.89 1j5i n PHE 73 Ca 0.08 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.06 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 4.32 0.49 -1.08 2.12 -1.26 -0.26 118.70 121.03 1j5i s GLU 74 Ca 0.00 1.29 -0.20 0.00 0.36 0.00 0.00 54.97 56.42 1j5i s GLU 74 Cb 0.00 -3.60 -0.08 0.00 0.26 0.00 0.00 34.13 30.71 1j5i s GLU 74 CO 0.00 -0.47 1.03 0.20 -0.54 0.00 0.00 175.26 175.48 1j5i s GLY 75 N 1.17 2.42 -0.15 -1.50 0.00 0.14 -3.77 107.32 105.63 1j5i s GLY 75 Ca 0.44 0.53 -0.03 0.00 0.00 0.00 0.00 44.72 45.66 1j5i s GLY 75 CO 0.11 0.84 0.04 -0.12 0.00 0.00 0.00 173.10 173.97 1j5i s PHE 76 N -2.10 0.73 0.71 1.90 5.36 0.15 -0.98 117.98 123.75 1j5i s PHE 76 Ca 0.66 -0.50 -0.16 0.00 -0.96 0.00 0.00 56.93 55.96 1j5i s PHE 76 Cb -0.15 -0.88 -0.01 0.00 -0.34 0.00 0.00 43.02 41.64 1j5i s PHE 76 CO 0.22 -0.49 0.88 1.28 -1.46 0.00 0.00 175.22 175.65 1j5i n LEU 77 N 5.13 2.96 0.07 6.12 4.77 0.22 0.39 117.00 136.66 1j5i n LEU 77 Ca -0.08 0.66 -0.06 0.00 -0.03 0.00 0.00 56.01 56.50 1j5i n LEU 77 Cb 0.48 -1.36 -0.11 0.00 -2.33 0.00 0.00 43.42 40.10 1j5i n LEU 77 CO 0.11 -2.25 0.17 0.15 -1.33 0.00 0.00 177.39 174.24 1j5i h PHE 78 N -0.21 0.00 -0.30 -1.77 3.57 -0.63 -3.29 116.94 114.30 1j5i h PHE 78 Ca -0.47 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.06 1j5i h PHE 78 Cb 1.34 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 40.05 1j5i h PHE 78 CO 0.39 0.96 0.10 0.22 -2.23 0.00 0.00 178.31 177.74 1j5i h ASP 79 N 0.00 0.09 0.00 0.41 1.82 -1.91 -3.46 116.42 113.37 1j5i h ASP 79 Ca -0.01 0.04 0.00 0.00 -0.39 0.00 0.00 57.03 56.67 1j5i h ASP 79 Cb 1.74 0.03 0.00 0.00 0.68 0.00 0.00 39.33 41.78 1j5i h ASP 79 CO 0.12 0.09 0.00 0.61 -1.61 0.00 0.00 179.24 178.45 1j5i n GLY 80 N -1.20 0.36 3.86 -0.78 0.00 -1.24 -5.15 105.19 101.04 1j5i n GLY 80 Ca -0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 3.67 0.07 2.61 2.01 -1.26 -4.84 115.64 117.90 1j5i s THR 81 Ca 0.00 0.54 0.09 0.00 0.31 0.00 0.00 61.69 62.63 1j5i s THR 81 Cb 0.00 -3.47 -0.03 0.00 0.01 0.00 0.00 72.50 69.01 1j5i s THR 81 CO 0.00 -0.71 -0.22 -0.13 -0.69 0.00 0.00 174.62 172.87 1j5i s ARG 82 N -5.26 1.85 0.00 4.92 0.52 -1.26 0.70 118.95 120.41 1j5i s ARG 82 Ca 0.58 -1.11 0.00 0.00 -0.52 0.00 0.00 55.73 54.68 1j5i s ARG 82 Cb -0.12 -2.08 0.00 0.00 0.52 0.00 0.00 34.95 33.28 1j5i s ARG 82 CO 0.53 0.51 0.00 1.87 0.02 0.00 0.00 175.30 178.23 1j5i n TRP 83 N 1.38 0.00 0.00 -0.53 -0.00 -0.15 -4.79 117.44 113.35 1j5i n TRP 83 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.33 1j5i n TRP 83 Cb 0.52 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 3.02 0.79 2.67 5.87 0.00 -0.82 -4.74 105.19 111.97 1j5i n GLY 84 Ca 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.34 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 0.24 114.28 114.83 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 -3.49 12.58 0.31 0.64 -4.91 118.33 123.47 1j5i n VAL 86 Ca 0.00 0.00 -0.27 0.00 -0.01 0.00 0.00 64.34 64.06 1j5i n VAL 86 Cb 0.00 0.00 -0.13 0.00 -0.91 0.00 0.00 33.84 32.80 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 -2.46 2.98 -0.71 4.52 2.15 -1.25 0.01 116.67 121.91 1j5i s ASP 87 Ca 0.00 -1.45 -0.07 0.00 0.43 0.00 0.00 52.55 51.46 1j5i s ASP 87 Cb 0.00 -0.18 -0.14 0.00 -0.30 0.00 0.00 42.92 42.30 1j5i s ASP 87 CO 0.00 -0.39 3.21 0.00 -0.17 0.00 0.00 175.17 177.82 1j5i n THR 89 N 2.61 0.07 -0.09 0.00 5.66 -1.26 -4.40 114.28 116.87 1j5i n THR 89 Ca 0.57 -0.17 -0.13 0.00 -3.05 0.00 0.00 64.05 61.27 1j5i n THR 89 Cb 0.59 0.45 -0.07 0.00 -1.55 0.00 0.00 70.33 69.75 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 0.60 -3.19 1.09 1.03 -2.00 -3.46 112.91 106.98 1j5i h THR 90 Ca 0.00 -1.68 -0.59 0.00 -0.01 0.00 0.00 66.41 64.13 1j5i h THR 90 Cb 0.66 1.36 -0.06 0.00 -1.07 0.00 0.00 68.15 69.04 1j5i h THR 90 CO 0.00 0.20 -0.14 0.00 -0.01 0.00 0.00 175.52 175.57 1j5i s ALA 91 N -2.50 3.59 -0.16 0.00 0.00 -1.26 -5.02 121.76 116.41 1j5i s ALA 91 Ca -0.21 -0.15 -0.29 0.00 0.00 0.00 0.00 51.96 51.31 1j5i s ALA 91 Cb 0.03 -2.55 -0.04 0.00 0.00 0.00 0.00 23.12 20.57 1j5i s ALA 91 CO 0.42 0.27 1.65 0.00 0.00 0.00 0.00 175.76 178.10 1j5i s ALA 92 N -0.42 3.38 -0.15 0.00 0.00 -1.26 -4.86 121.76 118.45 1j5i s ALA 92 Ca 0.26 0.64 -0.22 0.00 0.00 0.00 0.00 51.96 52.65 1j5i s ALA 92 Cb -0.17 -3.82 -0.03 0.00 0.00 0.00 0.00 23.12 19.10 1j5i s ALA 92 CO 0.13 -1.78 0.65 0.00 0.00 0.00 0.00 175.76 174.77 1j5i s GLN 94 N 1.44 3.68 -0.42 0.00 -0.21 -0.61 -1.39 119.66 122.15 1j5i s GLN 94 Ca 0.32 -0.47 -0.22 0.00 0.02 0.00 0.00 55.36 55.01 1j5i s GLN 94 Cb -0.16 -3.32 0.02 0.00 1.00 0.00 0.00 33.01 30.55 1j5i s GLN 94 CO 0.13 -0.16 0.73 0.08 -2.12 0.00 0.00 175.29 173.95 1j5i s VAL 95 N 1.52 4.74 0.30 1.09 1.01 0.06 -0.46 120.40 128.67 1j5i s VAL 95 Ca 0.06 0.45 -0.16 0.00 0.00 0.00 0.00 61.98 62.33 1j5i s VAL 95 Cb -0.15 -4.24 0.02 0.00 0.00 0.00 0.00 36.38 32.01 1j5i s VAL 95 CO 0.04 -0.58 0.66 -0.83 0.00 0.00 0.00 175.10 174.39 1j5i s GLY 96 N 2.01 0.30 -0.23 4.51 0.00 -0.12 -1.08 107.32 112.69 1j5i s GLY 96 Ca 0.28 -0.65 -0.07 0.00 0.00 0.00 0.00 44.72 44.28 1j5i s GLY 96 CO 0.20 -0.34 0.05 0.48 0.00 0.00 0.00 173.10 173.49 1j5i s LEU 97 N -3.01 3.44 0.46 0.66 2.34 -1.26 -0.32 118.68 121.00 1j5i s LEU 97 Ca 0.16 -0.17 -0.05 0.00 0.06 0.00 0.00 54.13 54.13 1j5i s LEU 97 Cb -0.04 -1.91 -0.04 0.00 -0.56 0.00 0.00 46.19 43.64 1j5i s LEU 97 CO 0.10 0.01 0.76 -0.44 -1.06 0.00 0.00 176.35 175.72 1j5i s SER 98 N 1.33 6.30 0.73 1.48 0.01 -0.23 -4.78 113.70 118.53 1j5i s SER 98 Ca 0.05 0.90 -0.11 0.00 1.31 0.00 0.00 55.95 58.10 1j5i s SER 98 Cb -0.15 -2.23 0.04 0.00 0.21 0.00 0.00 66.02 63.89 1j5i s SER 98 CO 0.03 -0.53 1.10 -1.81 0.41 0.00 0.00 173.24 172.45 1j5i s ASP 99 N -3.98 5.13 0.00 2.44 1.11 -1.25 -2.31 116.67 117.82 1j5i s ASP 99 Ca 0.47 0.95 0.09 0.00 0.18 0.00 0.00 52.55 54.24 1j5i s ASP 99 Cb -0.10 -1.66 0.38 0.00 1.07 0.00 0.00 42.92 42.60 1j5i s ASP 99 CO 0.42 -1.51 1.27 0.00 1.18 0.00 0.00 175.17 176.54 1j5i n ALA 100 N -3.07 2.50 -0.06 5.23 0.00 -1.26 -3.92 120.51 119.95 1j5i n ALA 100 Ca 0.07 -0.27 -0.06 0.00 0.00 0.00 0.00 53.44 53.19 1j5i n ALA 100 Cb 0.59 -1.05 -0.02 0.00 0.00 0.00 0.00 19.45 18.96 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 -0.14 0.56 0.00 0.00 0.00 -1.26 -5.05 120.51 114.61 1j5i n ALA 101 Ca 0.08 -0.61 0.00 0.00 0.00 0.00 0.00 53.44 52.91 1j5i n ALA 101 Cb 0.14 0.02 0.00 0.00 0.00 0.00 0.00 19.45 19.61 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 1.48 0.00 3.29 0.00 0.00 -1.25 -5.16 105.19 103.54 1j5i n GLY 102 Ca -0.09 0.00 -0.11 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 0.00 -0.50 0.00 1.61 0.01 -1.26 -5.05 114.94 109.75 1j5i s ASN 103 Ca 0.00 0.89 0.00 0.00 -0.71 0.00 0.00 52.86 53.04 1j5i s ASN 103 Cb 0.00 0.80 0.00 0.00 0.41 0.00 0.00 41.25 42.46 1j5i s ASN 103 CO 0.00 -0.18 0.00 0.61 -1.51 0.00 0.00 177.10 176.02 1j5i n GLY 104 N 3.91 -0.54 0.00 0.66 0.00 -1.26 -3.81 105.19 104.15 1j5i n GLY 104 Ca -0.21 0.19 0.12 0.00 0.00 0.00 0.00 46.02 46.12 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 -2.17 1.61 -0.04 -1.26 -4.76 135.00 129.13 1j5i n PRO 105 Ca 0.00 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.05 1j5i n PRO 105 Cb 0.00 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 31.94 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 4.39 -0.29 0.54 2.02 -1.26 -5.00 118.70 117.09 1j5i s GLU 106 Ca 0.36 2.14 -0.26 0.00 0.02 0.00 0.00 54.97 57.23 1j5i s GLU 106 Cb 0.17 -3.11 0.19 0.00 0.10 0.00 0.00 34.13 31.47 1j5i s GLU 106 CO 0.28 -0.17 1.43 0.20 0.02 0.00 0.00 175.26 177.01 1j5i s GLY 107 N -0.30 0.29 0.10 -1.39 0.00 -1.26 -4.56 107.32 100.20 1j5i s GLY 107 Ca 0.51 3.34 -0.31 0.00 0.00 0.00 0.00 44.72 48.25 1j5i s GLY 107 CO 0.48 1.69 1.42 0.54 0.00 0.00 0.00 173.10 177.22 1j5i s VAL 108 N -0.30 3.31 -0.63 1.40 0.11 -0.24 -3.63 120.40 120.40 1j5i s VAL 108 Ca 0.08 0.90 -0.26 0.00 -2.93 0.00 0.00 61.98 59.77 1j5i s VAL 108 Cb -0.04 -3.58 -0.03 0.00 -1.53 0.00 0.00 36.38 31.20 1j5i s VAL 108 CO -0.13 0.05 1.94 0.00 -3.33 0.00 0.00 175.10 173.63 1j5i s ALA 109 N 1.39 2.04 -0.05 1.54 0.00 -1.26 -0.76 121.76 124.66 1j5i s ALA 109 Ca 0.65 -0.67 -0.25 0.00 0.00 0.00 0.00 51.96 51.69 1j5i s ALA 109 Cb -0.37 -4.34 -0.03 0.00 0.00 0.00 0.00 23.12 18.38 1j5i s ALA 109 CO 0.30 -4.08 0.79 0.42 0.00 0.00 0.00 175.76 173.18 1j5i s ILE 110 N 9.61 4.99 0.00 0.00 1.09 -0.49 -4.49 121.20 131.92 1j5i s ILE 110 Ca 0.71 1.63 0.00 0.00 -1.10 0.00 0.00 60.65 61.89 1j5i s ILE 110 Cb -0.12 -4.13 0.00 0.00 -1.06 0.00 0.00 42.46 37.15 1j5i s ILE 110 CO 0.19 0.22 0.00 -1.20 -0.10 0.00 0.00 174.94 174.05 1j5i n SER 111 N 3.83 0.00 -3.75 3.58 7.64 -0.92 -4.13 113.62 119.87 1j5i n SER 111 Ca 0.01 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.77 1j5i n SER 111 Cb 0.51 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.59 1j5i n SER 111 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 1j5i s PHE 112 N 0.00 -0.31 -0.56 1.43 -0.12 -0.70 0.28 117.98 118.00 1j5i s PHE 112 Ca 0.00 0.75 0.00 0.00 -0.05 0.00 0.00 56.93 57.63 1j5i s PHE 112 Cb 0.00 0.08 0.00 0.00 -0.63 0.00 0.00 43.02 42.47 1j5i s PHE 112 CO 0.00 -0.19 0.14 -1.71 -0.05 0.00 0.00 175.22 173.41