#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 1.20 0.82 0.00 0.00 -1.26 -5.15 121.76 117.37 1j5i s ALA 2 Ca 0.00 -0.98 -0.12 0.00 0.00 0.00 0.00 51.96 50.87 1j5i s ALA 2 Cb 0.00 -0.12 0.08 0.00 0.00 0.00 0.00 23.12 23.08 1j5i s ALA 2 CO 0.00 0.19 1.10 -1.25 0.00 0.00 0.00 175.76 175.80 1j5i s PRO 3 N -1.63 1.93 0.44 0.00 0.04 -1.26 -4.57 135.00 129.95 1j5i s PRO 3 Ca -0.01 0.58 0.00 0.00 0.04 0.00 0.00 61.00 61.61 1j5i s PRO 3 Cb -0.10 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.54 1j5i s PRO 3 CO 0.02 -1.72 0.00 0.25 0.04 0.00 0.00 177.00 175.60 1j5i n THR 4 N -3.49 0.00 -2.18 1.26 -2.24 -0.59 -4.27 114.28 102.78 1j5i n THR 4 Ca 0.07 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.42 1j5i n THR 4 Cb 0.57 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.77 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 -1.19 3.61 0.01 6.98 0.00 -1.20 -2.06 121.76 127.92 1j5i s ALA 5 Ca 0.00 0.71 -0.01 0.00 0.00 0.00 0.00 51.96 52.66 1j5i s ALA 5 Cb 0.00 -3.70 -0.01 0.00 0.00 0.00 0.00 23.12 19.41 1j5i s ALA 5 CO 0.00 -1.35 -0.00 0.95 0.00 0.00 0.00 175.76 175.36 1j5i s THR 6 N 3.90 0.06 -0.41 0.00 -4.23 -0.09 -4.52 115.64 110.36 1j5i s THR 6 Ca 0.66 -0.52 -0.22 0.00 -1.18 0.00 0.00 61.69 60.42 1j5i s THR 6 Cb -0.28 -0.17 0.02 0.00 1.34 0.00 0.00 72.50 73.40 1j5i s THR 6 CO 0.24 -0.29 0.75 -0.69 -0.54 0.00 0.00 174.62 174.09 1j5i s VAL 7 N -0.84 4.73 0.04 2.29 1.01 -1.26 -0.99 120.40 125.38 1j5i s VAL 7 Ca -0.09 0.55 -0.13 0.00 0.00 0.00 0.00 61.98 62.31 1j5i s VAL 7 Cb -0.06 -4.24 -0.05 0.00 0.00 0.00 0.00 36.38 32.03 1j5i s VAL 7 CO -0.00 -0.56 1.20 0.74 0.00 0.00 0.00 175.10 176.48 1j5i h THR 8 N 5.86 0.00 0.00 3.92 2.02 -1.77 -2.63 112.91 120.31 1j5i h THR 8 Ca -0.25 0.00 -0.49 0.00 0.77 0.00 0.00 66.41 66.44 1j5i h THR 8 Cb 1.09 0.00 0.02 0.00 -1.74 0.00 0.00 68.15 67.52 1j5i h THR 8 CO 0.92 0.00 3.06 -0.81 0.37 0.00 0.00 175.52 179.06 1j5i n PRO 9 N -3.61 2.75 -0.56 6.66 -0.04 -1.26 -4.53 135.00 134.40 1j5i n PRO 9 Ca -0.03 -1.75 -0.09 0.00 -0.04 0.00 0.00 63.50 61.60 1j5i n PRO 9 Cb 0.15 -2.58 0.10 0.00 -0.04 0.00 0.00 33.50 31.13 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 3.90 3.34 -4.40 3.54 3.41 -0.99 -4.64 113.62 117.79 1j5i n SER 10 Ca 0.58 -2.71 -0.33 0.00 -0.26 0.00 0.00 58.87 56.15 1j5i n SER 10 Cb 0.19 -0.65 -0.14 0.00 -0.26 0.00 0.00 64.21 63.35 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 -0.14 3.93 -0.91 4.04 0.15 -1.26 -0.71 113.70 118.80 1j5i s SER 11 Ca 0.27 -0.30 -0.09 0.00 0.70 0.00 0.00 55.95 56.53 1j5i s SER 11 Cb 0.22 -1.31 0.01 0.00 -1.71 0.00 0.00 66.02 63.24 1j5i s SER 11 CO 0.06 0.23 0.17 0.61 1.20 0.00 0.00 173.24 175.50 1j5i n GLY 12 N 3.09 -0.25 3.15 9.45 0.00 -1.23 -4.76 105.19 114.63 1j5i n GLY 12 Ca -0.18 0.15 -0.35 0.00 0.00 0.00 0.00 46.02 45.64 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 -3.41 -3.64 -4.19 0.99 -0.00 -0.68 -4.87 117.00 101.19 1j5i n LEU 13 Ca -0.16 0.19 -0.21 0.00 -0.00 0.00 0.00 56.01 55.83 1j5i n LEU 13 Cb 0.41 -0.89 -0.13 0.00 -0.00 0.00 0.00 43.42 42.82 1j5i n LEU 13 CO 0.52 -4.71 -0.48 -0.55 -0.00 0.00 0.00 177.39 172.18 1j5i s SER 14 N -1.38 1.90 -0.88 1.45 0.15 -1.26 -4.22 113.70 109.46 1j5i s SER 14 Ca 0.46 -0.56 -0.18 0.00 0.70 0.00 0.00 55.95 56.37 1j5i s SER 14 Cb -0.15 -0.10 -0.23 0.00 -1.71 0.00 0.00 66.02 63.82 1j5i s SER 14 CO 0.75 0.01 2.28 0.47 1.20 0.00 0.00 173.24 177.95 1j5i n ASP 15 N 1.54 0.29 -0.42 5.45 8.00 -1.26 0.01 116.55 130.16 1j5i n ASP 15 Ca -0.19 -1.09 0.00 0.00 0.71 0.00 0.00 54.79 54.22 1j5i n ASP 15 Cb 0.54 -1.15 0.00 0.00 -0.02 0.00 0.00 41.12 40.49 1j5i n ASP 15 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1j5i n GLY 16 N 6.19 0.51 3.68 0.44 0.00 0.16 -4.82 105.19 111.34 1j5i n GLY 16 Ca 0.56 -0.23 -0.39 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.86 5.10 -0.54 2.61 2.01 0.10 -4.62 115.64 118.44 1j5i s THR 17 Ca 0.00 1.03 -0.28 0.00 0.31 0.00 0.00 61.69 62.75 1j5i s THR 17 Cb 0.00 -3.87 -0.00 0.00 0.01 0.00 0.00 72.50 68.64 1j5i s THR 17 CO 0.00 0.20 1.60 -0.69 -0.69 0.00 0.00 174.62 175.04 1j5i s VAL 18 N 1.42 3.61 0.40 3.82 1.01 -1.26 0.20 120.40 129.59 1j5i s VAL 18 Ca 0.26 0.50 0.08 0.00 0.00 0.00 0.00 61.98 62.81 1j5i s VAL 18 Cb -0.16 -4.18 -0.04 0.00 0.00 0.00 0.00 36.38 32.00 1j5i s VAL 18 CO 0.10 -1.00 0.22 0.68 0.00 0.00 0.00 175.10 175.10 1j5i s VAL 19 N 7.05 2.52 -0.22 2.92 -7.23 0.86 -4.93 120.40 121.36 1j5i s VAL 19 Ca 0.60 -1.62 0.01 0.00 -1.81 0.00 0.00 61.98 59.16 1j5i s VAL 19 Cb -0.13 -2.99 0.03 0.00 0.56 0.00 0.00 36.38 33.85 1j5i s VAL 19 CO 0.25 -0.04 -0.13 -0.75 -0.31 0.00 0.00 175.10 174.12 1j5i s LYS 20 N -3.94 2.76 -0.80 4.82 2.20 -1.26 -1.10 119.74 122.41 1j5i s LYS 20 Ca 0.42 -1.01 -0.20 0.00 -0.36 0.00 0.00 55.97 54.83 1j5i s LYS 20 Cb 0.01 -2.80 0.11 0.00 -1.51 0.00 0.00 37.83 33.65 1j5i s LYS 20 CO 0.24 -0.36 1.02 0.08 -0.36 0.00 0.00 175.35 175.97 1j5i s VAL 21 N 1.26 4.63 -0.29 4.02 1.01 0.16 -1.93 120.40 129.25 1j5i s VAL 21 Ca -0.00 -1.15 -0.22 0.00 0.00 0.00 0.00 61.98 60.61 1j5i s VAL 21 Cb -0.16 -4.71 -0.01 0.00 0.00 0.00 0.00 36.38 31.50 1j5i s VAL 21 CO -0.08 -1.44 0.69 0.00 0.00 0.00 0.00 175.10 174.28 1j5i s ALA 22 N 3.07 3.55 -0.36 5.51 0.00 -0.16 -0.72 121.76 132.65 1j5i s ALA 22 Ca 0.27 -0.51 -0.14 0.00 0.00 0.00 0.00 51.96 51.58 1j5i s ALA 22 Cb -0.11 -3.17 -0.01 0.00 0.00 0.00 0.00 23.12 19.84 1j5i s ALA 22 CO -0.02 -1.07 0.26 0.20 0.00 0.00 0.00 175.76 175.14 1j5i s GLY 23 N 1.59 1.97 -0.47 0.00 0.00 0.19 -0.91 107.32 109.70 1j5i s GLY 23 Ca 0.28 -1.46 -0.13 0.00 0.00 0.00 0.00 44.72 43.42 1j5i s GLY 23 CO 0.11 0.83 0.37 0.00 0.00 0.00 0.00 173.10 174.41 1j5i s ALA 24 N 1.73 3.48 -1.27 3.20 0.00 -0.87 -1.27 121.76 126.76 1j5i s ALA 24 Ca 0.06 -2.26 -0.03 0.00 0.00 0.00 0.00 51.96 49.73 1j5i s ALA 24 Cb -0.18 -2.95 0.00 0.00 0.00 0.00 0.00 23.12 19.99 1j5i s ALA 24 CO 0.11 -1.79 0.40 0.41 0.00 0.00 0.00 175.76 174.88 1j5i n GLY 25 N 5.09 -0.28 0.00 0.00 0.00 0.61 -1.54 105.19 109.08 1j5i n GLY 25 Ca -0.11 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 -3.08 0.00 -0.04 0.99 7.94 -0.69 -4.40 117.00 117.72 1j5i n LEU 26 Ca -0.11 0.00 0.23 0.00 -1.11 0.00 0.00 56.01 55.02 1j5i n LEU 26 Cb 0.61 0.00 0.53 0.00 0.53 0.00 0.00 43.42 45.08 1j5i n LEU 26 CO 0.35 0.00 1.21 1.56 -1.11 0.00 0.00 177.39 179.39 1j5i h GLN 27 N 0.00 0.00 -1.54 1.96 7.50 -1.87 -3.43 115.11 117.73 1j5i h GLN 27 Ca 0.00 0.00 -0.34 0.00 0.50 0.00 0.00 58.65 58.81 1j5i h GLN 27 Cb 0.00 0.00 -0.08 0.00 0.05 0.00 0.00 27.48 27.45 1j5i h GLN 27 CO 0.00 0.00 -0.37 0.00 -1.50 0.00 0.00 178.83 176.96 1j5i n ALA 28 N -2.19 -0.37 0.00 3.87 0.00 -1.26 -1.77 120.51 118.79 1j5i n ALA 28 Ca 0.15 0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.80 1j5i n ALA 28 Cb 1.13 -1.82 0.00 0.00 0.00 0.00 0.00 19.45 18.76 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 -0.95 1.46 0.00 0.00 0.00 -0.98 -4.20 105.19 100.52 1j5i n GLY 29 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.09 0.00 -3.80 2.61 -1.04 -0.73 -4.68 114.28 106.56 1j5i n THR 30 Ca 0.00 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 61.89 1j5i n THR 30 Cb 0.00 -1.79 -0.08 0.00 -1.82 0.00 0.00 70.33 66.64 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 -3.59 -0.57 0.00 2.41 0.00 -1.26 -1.96 121.76 116.79 1j5i s ALA 31 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 51.96 51.93 1j5i s ALA 31 Cb 0.00 0.23 0.00 0.00 0.00 0.00 0.00 23.12 23.35 1j5i s ALA 31 CO 0.00 -0.34 0.00 0.66 0.00 0.00 0.00 175.76 176.08 1j5i n TYR 32 N 0.85 -0.54 -3.69 0.00 4.01 -0.40 -4.80 117.16 112.59 1j5i n TYR 32 Ca -0.20 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.16 1j5i n TYR 32 Cb 0.58 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.50 1j5i n TYR 32 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1j5i s ASP 33 N -1.00 5.46 0.29 7.72 1.11 -0.92 0.47 116.67 129.81 1j5i s ASP 33 Ca 0.00 -1.34 -0.28 0.00 0.18 0.00 0.00 52.55 51.10 1j5i s ASP 33 Cb 0.00 -1.92 -0.09 0.00 1.07 0.00 0.00 42.92 41.98 1j5i s ASP 33 CO 0.00 -0.43 1.05 -0.69 1.18 0.00 0.00 175.17 176.28 1j5i s VAL 34 N 1.40 3.69 0.00 -1.27 1.01 -0.19 0.05 120.40 125.09 1j5i s VAL 34 Ca 0.01 1.62 0.00 0.00 0.00 0.00 0.00 61.98 63.61 1j5i s VAL 34 Cb -0.21 -3.99 0.00 0.00 0.00 0.00 0.00 36.38 32.18 1j5i s VAL 34 CO 0.02 0.32 0.00 0.61 0.00 0.00 0.00 175.10 176.05 1j5i n GLY 35 N 1.08 1.35 3.40 4.51 0.00 0.14 0.10 105.19 115.76 1j5i n GLY 35 Ca -0.00 -0.56 -0.45 0.00 0.00 0.00 0.00 46.02 45.01 1j5i n GLY 35 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1j5i s GLN 36 N -2.00 3.33 0.20 1.61 -0.21 -1.26 -0.74 119.66 120.59 1j5i s GLN 36 Ca 0.00 -1.60 0.06 0.00 0.02 0.00 0.00 55.36 53.83 1j5i s GLN 36 Cb 0.00 -4.50 -0.04 0.00 1.00 0.00 0.00 33.01 29.47 1j5i s GLN 36 CO 0.00 -1.61 0.17 0.00 -2.12 0.00 0.00 175.29 171.73 1j5i n ALA 38 N -0.68 0.00 -2.23 0.00 0.00 -0.58 -1.29 120.51 115.73 1j5i n ALA 38 Ca -0.08 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.93 1j5i n ALA 38 Cb 0.56 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.98 1j5i n ALA 38 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 177.50 179.17 1j5i s TRP 39 N -2.00 2.36 -0.27 0.00 -2.14 -1.26 -1.11 118.94 114.52 1j5i s TRP 39 Ca 0.00 0.66 -0.12 0.00 2.66 0.00 0.00 56.10 59.30 1j5i s TRP 39 Cb 0.00 -3.88 -0.12 0.00 -3.10 0.00 0.00 33.47 26.37 1j5i s TRP 39 CO 0.00 -2.53 -0.34 1.55 -2.66 0.00 0.00 176.95 172.97 1j5i n VAL 40 N 6.07 1.50 -0.23 -0.66 3.14 -0.74 -4.74 118.33 122.66 1j5i n VAL 40 Ca 0.17 -0.40 0.00 0.00 -2.96 0.00 0.00 64.34 61.15 1j5i n VAL 40 Cb 0.45 -1.83 0.00 0.00 -1.06 0.00 0.00 33.84 31.40 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 -4.14 0.00 -4.56 6.55 -0.08 -1.21 -4.91 116.55 108.19 1j5i n ASP 41 Ca -0.53 0.00 -0.40 0.00 -1.51 0.00 0.00 54.79 52.35 1j5i n ASP 41 Cb 0.89 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 44.33 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 0.25 3.91 -1.22 5.18 2.01 -1.26 -3.66 115.64 120.84 1j5i s THR 42 Ca 0.00 -0.92 0.00 0.00 0.31 0.00 0.00 61.69 61.08 1j5i s THR 42 Cb 0.00 -4.99 0.00 0.00 0.01 0.00 0.00 72.50 67.52 1j5i s THR 42 CO 0.00 -1.86 0.00 0.61 -0.69 0.00 0.00 174.62 172.68 1j5i n GLY 43 N 6.62 0.88 3.35 4.40 0.00 -1.26 -4.98 105.19 114.21 1j5i n GLY 43 Ca 0.36 -0.43 -0.39 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.50 4.30 -0.38 1.61 1.01 -1.24 -5.04 120.40 118.16 1j5i s VAL 44 Ca 0.00 -0.86 -0.29 0.00 0.00 0.00 0.00 61.98 60.83 1j5i s VAL 44 Cb 0.00 -3.36 -0.00 0.00 0.00 0.00 0.00 36.38 33.01 1j5i s VAL 44 CO 0.00 -0.15 1.59 -0.76 0.00 0.00 0.00 175.10 175.78 1j5i s LEU 45 N 1.51 3.54 0.04 3.92 1.43 -1.26 -1.80 118.68 126.07 1j5i s LEU 45 Ca 0.01 1.02 0.07 0.00 -1.03 0.00 0.00 54.13 54.21 1j5i s LEU 45 Cb -0.19 -3.51 -0.03 0.00 0.03 0.00 0.00 46.19 42.50 1j5i s LEU 45 CO 0.05 -1.57 -0.21 0.00 0.23 0.00 0.00 176.35 174.85 1j5i s ALA 46 N 6.12 1.75 0.12 4.21 0.00 -0.26 -1.88 121.76 131.83 1j5i s ALA 46 Ca 0.69 -1.06 0.06 0.00 0.00 0.00 0.00 51.96 51.66 1j5i s ALA 46 Cb -0.17 -0.34 -0.04 0.00 0.00 0.00 0.00 23.12 22.56 1j5i s ALA 46 CO 0.33 0.39 -0.03 0.00 0.00 0.00 0.00 175.76 176.46 1j5i s ASN 48 N -2.51 3.79 0.12 0.00 0.02 -1.19 0.15 114.94 115.32 1j5i s ASN 48 Ca 0.25 0.79 0.23 0.00 -1.02 0.00 0.00 52.86 53.12 1j5i s ASN 48 Cb -0.11 -1.26 0.91 0.00 0.02 0.00 0.00 41.25 40.82 1j5i s ASN 48 CO 0.17 -2.36 1.72 -0.81 0.02 0.00 0.00 177.10 175.84 1j5i n PRO 49 N -3.61 0.12 -0.52 -0.60 -0.04 -1.26 -2.17 135.00 126.91 1j5i n PRO 49 Ca 0.08 0.23 0.08 0.00 -0.04 0.00 0.00 63.50 63.85 1j5i n PRO 49 Cb 0.60 -1.68 0.30 0.00 -0.04 0.00 0.00 33.50 32.68 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 -1.65 3.00 1.29 0.55 0.00 -1.26 -4.28 120.51 118.16 1j5i n ALA 50 Ca 0.04 -1.78 0.08 0.00 0.00 0.00 0.00 53.44 51.78 1j5i n ALA 50 Cb 0.29 -0.83 0.29 0.00 0.00 0.00 0.00 19.45 19.21 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 0.44 1.35 -4.18 0.00 -0.08 -0.92 -4.45 116.55 108.71 1j5i n ASP 51 Ca 0.22 -1.79 -0.40 0.00 -1.51 0.00 0.00 54.79 51.32 1j5i n ASP 51 Cb 0.85 -0.12 -0.08 0.00 2.34 0.00 0.00 41.12 44.10 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 -1.75 3.50 -0.43 -0.67 0.08 -1.20 -2.97 117.98 114.52 1j5i s PHE 52 Ca 0.26 -2.27 0.05 0.00 0.12 0.00 0.00 56.93 55.09 1j5i s PHE 52 Cb 0.13 -3.41 0.17 0.00 -0.57 0.00 0.00 43.02 39.35 1j5i s PHE 52 CO 0.20 -0.94 0.51 -1.12 -0.10 0.00 0.00 175.22 173.77 1j5i s SER 53 N 1.76 0.11 0.03 1.36 0.01 0.11 -4.96 113.70 112.12 1j5i s SER 53 Ca 0.12 -1.96 -0.38 0.00 1.31 0.00 0.00 55.95 55.04 1j5i s SER 53 Cb -0.21 0.87 -0.19 0.00 0.21 0.00 0.00 66.02 66.70 1j5i s SER 53 CO -0.03 -0.16 1.04 -1.54 0.41 0.00 0.00 173.24 172.95 1j5i n SER 54 N 3.46 0.00 -4.37 2.44 3.41 -1.26 -1.02 113.62 116.28 1j5i n SER 54 Ca 0.18 1.15 -0.19 0.00 -0.26 0.00 0.00 58.87 59.76 1j5i n SER 54 Cb 0.51 -0.95 -0.10 0.00 -0.26 0.00 0.00 64.21 63.41 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 -0.07 1.60 -0.09 -3.33 0.11 0.18 -4.73 120.40 114.06 1j5i s VAL 55 Ca 0.88 -2.15 -0.06 0.00 -2.93 0.00 0.00 61.98 57.71 1j5i s VAL 55 Cb -1.21 -2.20 0.03 0.00 -1.53 0.00 0.00 36.38 31.47 1j5i s VAL 55 CO 0.56 -0.48 0.21 -0.89 -3.33 0.00 0.00 175.10 171.18 1j5i s THR 56 N -3.05 -0.02 -0.12 5.04 2.01 -1.26 -1.27 115.64 116.96 1j5i s THR 56 Ca 0.25 0.08 -0.04 0.00 0.31 0.00 0.00 61.69 62.30 1j5i s THR 56 Cb 0.02 -0.32 -0.03 0.00 0.01 0.00 0.00 72.50 72.17 1j5i s THR 56 CO 0.08 0.03 0.01 0.00 -0.69 0.00 0.00 174.62 174.06 1j5i s ALA 57 N 0.72 3.28 0.95 7.40 0.00 -0.83 -4.29 121.76 129.00 1j5i s ALA 57 Ca -0.05 -0.79 -0.10 0.00 0.00 0.00 0.00 51.96 51.02 1j5i s ALA 57 Cb -0.06 -1.61 0.17 0.00 0.00 0.00 0.00 23.12 21.61 1j5i s ALA 57 CO -0.04 0.42 1.13 -0.51 0.00 0.00 0.00 175.76 176.76 1j5i s ASP 58 N -0.35 2.60 0.42 0.00 1.01 0.78 -2.59 116.67 118.54 1j5i s ASP 58 Ca 0.07 2.09 0.33 0.00 0.71 0.00 0.00 52.55 55.76 1j5i s ASP 58 Cb -0.12 -2.53 1.41 0.00 1.01 0.00 0.00 42.92 42.69 1j5i s ASP 58 CO 0.02 -3.29 1.43 0.00 0.21 0.00 0.00 175.17 173.54 1j5i n ALA 59 N -4.35 1.34 -0.57 5.23 0.00 -1.26 0.39 120.51 121.30 1j5i n ALA 59 Ca 0.10 0.77 -0.13 0.00 0.00 0.00 0.00 53.44 54.18 1j5i n ALA 59 Cb 0.52 -0.99 0.04 0.00 0.00 0.00 0.00 19.45 19.03 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 -4.41 5.43 -3.85 0.00 2.85 -1.26 -3.97 115.26 110.05 1j5i n ASN 60 Ca 0.38 -2.88 -0.29 0.00 -0.11 0.00 0.00 54.58 51.68 1j5i n ASN 60 Cb 1.52 -0.94 -0.04 0.00 1.24 0.00 0.00 39.78 41.55 1j5i n ASN 60 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1j5i n GLY 61 N 0.31 -0.44 3.38 8.20 0.00 1.28 -3.80 105.19 114.12 1j5i n GLY 61 Ca 0.25 0.06 -0.45 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.87 6.56 -0.99 1.61 0.01 -0.93 -0.28 113.70 116.80 1j5i s SER 62 Ca 0.56 -2.13 -0.04 0.00 1.31 0.00 0.00 55.95 55.65 1j5i s SER 62 Cb -0.32 -2.30 0.26 0.00 0.21 0.00 0.00 66.02 63.86 1j5i s SER 62 CO 0.69 -0.89 0.99 0.00 0.41 0.00 0.00 173.24 174.45 1j5i n ALA 63 N 5.50 4.15 -2.95 1.44 0.00 -0.40 -0.16 120.51 128.09 1j5i n ALA 63 Ca 0.11 -4.66 -0.44 0.00 0.00 0.00 0.00 53.44 48.45 1j5i n ALA 63 Cb 0.46 -2.02 0.00 0.00 0.00 0.00 0.00 19.45 17.90 1j5i n ALA 63 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1j5i n SER 64 N 2.24 5.55 -4.51 0.00 3.41 -1.24 0.58 113.62 119.64 1j5i n SER 64 Ca 0.24 -3.12 -0.34 0.00 -0.26 0.00 0.00 58.87 55.39 1j5i n SER 64 Cb 0.37 -1.43 -0.12 0.00 -0.26 0.00 0.00 64.21 62.77 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 -0.46 3.87 0.02 6.66 2.01 0.10 -4.89 115.64 122.95 1j5i s THR 65 Ca 0.36 -0.37 -0.10 0.00 0.31 0.00 0.00 61.69 61.89 1j5i s THR 65 Cb -0.01 -2.68 -0.05 0.00 0.01 0.00 0.00 72.50 69.77 1j5i s THR 65 CO 0.00 0.51 0.34 -0.94 -0.69 0.00 0.00 174.62 173.84 1j5i s SER 66 N 0.23 6.63 0.36 3.53 1.04 -1.26 0.36 113.70 124.59 1j5i s SER 66 Ca -0.03 0.76 0.01 0.00 0.48 0.00 0.00 55.95 57.16 1j5i s SER 66 Cb -0.14 -2.17 -0.00 0.00 0.10 0.00 0.00 66.02 63.81 1j5i s SER 66 CO 0.03 0.26 0.45 -0.76 0.98 0.00 0.00 173.24 174.20 1j5i s LEU 67 N -1.53 1.24 -0.18 2.42 1.02 -0.26 -4.91 118.68 116.48 1j5i s LEU 67 Ca 0.27 -1.61 -0.07 0.00 0.02 0.00 0.00 54.13 52.74 1j5i s LEU 67 Cb -0.14 1.30 -0.04 0.00 0.02 0.00 0.00 46.19 47.32 1j5i s LEU 67 CO 0.15 -1.29 0.05 -0.89 0.02 0.00 0.00 176.35 174.39 1j5i s THR 68 N -2.99 4.63 -0.93 5.49 2.01 -1.26 -0.10 115.64 122.49 1j5i s THR 68 Ca 0.33 -0.09 -0.19 0.00 0.31 0.00 0.00 61.69 62.05 1j5i s THR 68 Cb -0.00 -3.08 0.12 0.00 0.01 0.00 0.00 72.50 69.54 1j5i s THR 68 CO 0.24 0.46 1.17 -0.69 -0.69 0.00 0.00 174.62 175.10 1j5i s VAL 69 N 0.45 4.60 -0.28 3.82 1.01 0.53 -4.76 120.40 125.77 1j5i s VAL 69 Ca 0.02 -1.42 -0.21 0.00 0.00 0.00 0.00 61.98 60.38 1j5i s VAL 69 Cb -0.13 -4.82 -0.01 0.00 0.00 0.00 0.00 36.38 31.42 1j5i s VAL 69 CO 0.01 -1.57 0.66 -0.13 0.00 0.00 0.00 175.10 174.07 1j5i s ARG 70 N 3.06 4.00 -0.02 2.72 1.81 -1.26 0.38 118.95 129.64 1j5i s ARG 70 Ca 0.34 0.46 0.06 0.00 -1.72 0.00 0.00 55.73 54.87 1j5i s ARG 70 Cb -0.05 -3.70 -0.24 0.00 -0.45 0.00 0.00 34.95 30.52 1j5i s ARG 70 CO -0.09 -0.53 0.77 -0.09 -0.68 0.00 0.00 175.30 174.68 1j5i h ARG 71 N 8.05 0.09 -4.96 3.54 2.43 -1.88 -3.45 114.38 118.20 1j5i h ARG 71 Ca -0.26 -0.16 -0.64 0.00 -0.81 0.00 0.00 59.98 58.11 1j5i h ARG 71 Cb 1.12 0.06 -0.20 0.00 -0.42 0.00 0.00 29.97 30.53 1j5i h ARG 71 CO 0.81 0.81 -0.58 -1.54 -1.51 0.00 0.00 179.97 177.96 1j5i s SER 72 N -6.51 5.54 0.00 -3.80 1.04 -1.26 -0.97 113.70 107.73 1j5i s SER 72 Ca -0.07 -0.10 0.00 0.00 0.48 0.00 0.00 55.95 56.26 1j5i s SER 72 Cb 0.08 -2.01 0.00 0.00 0.10 0.00 0.00 66.02 64.19 1j5i s SER 72 CO 0.82 -0.02 0.00 0.49 0.98 0.00 0.00 173.24 175.51 1j5i n PHE 73 N 4.84 0.00 -2.37 5.02 3.72 -0.60 -4.97 117.46 123.11 1j5i n PHE 73 Ca -0.15 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.82 1j5i n PHE 73 Cb 0.52 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 39.03 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 0.00 3.90 0.00 -1.08 2.12 -1.26 0.45 118.70 122.83 1j5i s GLU 74 Ca 0.00 1.33 0.00 0.00 0.36 0.00 0.00 54.97 56.66 1j5i s GLU 74 Cb 0.00 -3.90 0.00 0.00 0.26 0.00 0.00 34.13 30.49 1j5i s GLU 74 CO 0.00 -1.14 0.00 0.41 -0.54 0.00 0.00 175.26 173.99 1j5i n GLY 75 N 4.36 1.99 3.20 -1.50 0.00 1.79 -4.14 105.19 110.89 1j5i n GLY 75 Ca 0.15 -1.95 -0.22 0.00 0.00 0.00 0.00 46.02 44.00 1j5i n GLY 75 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1j5i s PHE 76 N 2.63 1.51 0.83 1.61 0.08 0.12 0.23 117.98 124.99 1j5i s PHE 76 Ca 0.00 -0.38 -0.05 0.00 0.12 0.00 0.00 56.93 56.62 1j5i s PHE 76 Cb 0.00 -0.88 0.17 0.00 -0.57 0.00 0.00 43.02 41.74 1j5i s PHE 76 CO 0.00 0.08 1.13 -0.51 -0.10 0.00 0.00 175.22 175.82 1j5i s LEU 77 N -1.29 2.87 0.47 -0.37 1.43 -0.50 -0.42 118.68 120.87 1j5i s LEU 77 Ca 0.04 -0.31 0.26 0.00 -1.03 0.00 0.00 54.13 53.09 1j5i s LEU 77 Cb -0.09 -1.82 1.00 0.00 0.03 0.00 0.00 46.19 45.32 1j5i s LEU 77 CO 0.02 -2.29 1.85 0.15 0.23 0.00 0.00 176.35 176.31 1j5i h PHE 78 N -0.97 0.00 0.24 0.29 3.57 -1.70 -3.26 116.94 115.12 1j5i h PHE 78 Ca -0.37 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.12 1j5i h PHE 78 Cb 1.25 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.99 1j5i h PHE 78 CO -0.67 0.15 -0.12 0.22 -2.23 0.00 0.00 178.31 175.67 1j5i h ASP 79 N 0.00 -0.28 0.00 0.41 3.58 -1.93 -3.49 116.42 114.71 1j5i h ASP 79 Ca -0.00 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.46 1j5i h ASP 79 Cb 0.71 0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.83 1j5i h ASP 79 CO 0.02 0.07 0.00 0.61 -2.88 0.00 0.00 179.24 177.06 1j5i n GLY 80 N 0.79 0.20 3.46 -0.78 0.00 -1.23 -5.15 105.19 102.47 1j5i n GLY 80 Ca -0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.63 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 0.00 1.26 -3.10 2.61 5.66 -1.26 -4.65 114.28 114.80 1j5i n THR 81 Ca 0.00 -0.33 -0.44 0.00 -3.05 0.00 0.00 64.05 60.23 1j5i n THR 81 Cb 0.00 -0.73 0.00 0.00 -1.55 0.00 0.00 70.33 68.05 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 -1.14 3.56 0.00 1.09 0.63 -1.26 -1.40 116.66 118.13 1j5i n ARG 82 Ca 0.09 -4.18 0.00 0.00 -0.92 0.00 0.00 57.85 52.84 1j5i n ARG 82 Cb 0.51 -2.76 0.00 0.00 0.45 0.00 0.00 32.46 30.66 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 3.76 0.00 -1.39 -0.14 -0.00 0.62 -4.64 117.44 115.65 1j5i n TRP 83 Ca 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.80 1j5i n TRP 83 Cb 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.71 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 3.96 -2.53 0.00 5.87 0.00 -1.02 0.49 105.19 111.96 1j5i n GLY 84 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.54 0.00 0.00 2.61 -1.04 -1.26 -2.13 114.28 110.92 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 0.12 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.63 1j5i n THR 85 CO 0.00 0.00 0.00 0.55 -0.64 0.00 0.00 175.07 174.98 1j5i n VAL 86 N 0.00 0.00 -3.05 12.58 3.14 0.17 -4.48 118.33 126.69 1j5i n VAL 86 Ca 0.00 0.00 -0.14 0.00 -2.96 0.00 0.00 64.34 61.24 1j5i n VAL 86 Cb 0.00 0.00 -0.04 0.00 -1.06 0.00 0.00 33.84 32.74 1j5i n VAL 86 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1j5i s ASP 87 N 0.00 -0.19 -0.78 6.55 3.68 -1.25 -1.55 116.67 123.12 1j5i s ASP 87 Ca 0.00 -2.23 -0.06 0.00 2.13 0.00 0.00 52.55 52.38 1j5i s ASP 87 Cb 0.00 0.91 -0.05 0.00 -1.45 0.00 0.00 42.92 42.33 1j5i s ASP 87 CO 0.00 -0.11 1.95 0.00 0.13 0.00 0.00 175.17 177.14 1j5i n THR 89 N 4.45 0.00 0.00 0.00 5.66 -1.26 -3.87 114.28 119.26 1j5i n THR 89 Ca 0.39 -0.15 0.00 0.00 -3.05 0.00 0.00 64.05 61.24 1j5i n THR 89 Cb 0.13 0.74 0.00 0.00 -1.55 0.00 0.00 70.33 69.65 1j5i n THR 89 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 1j5i n THR 90 N -0.61 0.00 -1.99 1.09 -1.04 -1.26 -4.93 114.28 105.54 1j5i n THR 90 Ca 0.10 0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 61.70 1j5i n THR 90 Cb 0.39 -0.11 -0.02 0.00 -1.82 0.00 0.00 70.33 68.77 1j5i n THR 90 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1j5i s ALA 91 N -1.48 3.57 -0.29 2.41 0.00 -1.26 -4.95 121.76 119.75 1j5i s ALA 91 Ca 0.00 1.38 -0.24 0.00 0.00 0.00 0.00 51.96 53.09 1j5i s ALA 91 Cb 0.00 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.58 1j5i s ALA 91 CO 0.00 -0.79 0.83 0.00 0.00 0.00 0.00 175.76 175.80 1j5i s ALA 92 N -0.75 3.56 -0.12 0.00 0.00 -1.26 -4.77 121.76 118.42 1j5i s ALA 92 Ca 0.54 -0.30 -0.19 0.00 0.00 0.00 0.00 51.96 52.01 1j5i s ALA 92 Cb -0.42 -3.34 -0.04 0.00 0.00 0.00 0.00 23.12 19.32 1j5i s ALA 92 CO 0.52 -1.15 0.52 0.00 0.00 0.00 0.00 175.76 175.65 1j5i s GLN 94 N 0.82 3.48 -0.54 0.00 -0.21 -0.41 -1.60 119.66 121.19 1j5i s GLN 94 Ca 0.28 -0.65 -0.23 0.00 0.02 0.00 0.00 55.36 54.77 1j5i s GLN 94 Cb -0.16 -3.73 0.04 0.00 1.00 0.00 0.00 33.01 30.16 1j5i s GLN 94 CO 0.11 -0.42 0.89 0.08 -2.12 0.00 0.00 175.29 173.83 1j5i s VAL 95 N 1.70 4.47 0.33 1.09 1.01 0.66 0.11 120.40 129.76 1j5i s VAL 95 Ca 0.06 0.15 -0.11 0.00 0.00 0.00 0.00 61.98 62.08 1j5i s VAL 95 Cb -0.17 -4.50 0.02 0.00 0.00 0.00 0.00 36.38 31.73 1j5i s VAL 95 CO 0.09 -1.06 0.61 -0.83 0.00 0.00 0.00 175.10 173.91 1j5i s GLY 96 N 2.82 0.74 0.04 4.51 0.00 0.08 -1.32 107.32 114.19 1j5i s GLY 96 Ca 0.28 -0.99 0.02 0.00 0.00 0.00 0.00 44.72 44.03 1j5i s GLY 96 CO 0.18 -0.59 0.05 0.48 0.00 0.00 0.00 173.10 173.22 1j5i s LEU 97 N -3.10 3.71 -0.06 0.66 -0.00 -1.26 0.26 118.68 118.89 1j5i s LEU 97 Ca 0.21 0.01 -0.05 0.00 -0.00 0.00 0.00 54.13 54.31 1j5i s LEU 97 Cb -0.03 -2.28 -0.04 0.00 -0.00 0.00 0.00 46.19 43.85 1j5i s LEU 97 CO 0.14 0.22 0.16 -0.94 -0.00 0.00 0.00 176.35 175.93 1j5i s SER 98 N -2.01 6.36 0.58 1.48 1.04 0.11 -4.33 113.70 116.92 1j5i s SER 98 Ca 0.25 0.40 -0.10 0.00 0.48 0.00 0.00 55.95 56.98 1j5i s SER 98 Cb -0.12 -2.02 -0.04 0.00 0.10 0.00 0.00 66.02 63.94 1j5i s SER 98 CO 0.17 0.33 0.97 -1.81 0.98 0.00 0.00 173.24 173.88 1j5i s ASP 99 N -1.49 6.26 0.11 7.02 -0.00 -1.26 -2.16 116.67 125.15 1j5i s ASP 99 Ca 0.21 1.31 0.26 0.00 -0.00 0.00 0.00 52.55 54.33 1j5i s ASP 99 Cb -0.12 -2.42 0.98 0.00 -0.00 0.00 0.00 42.92 41.36 1j5i s ASP 99 CO 0.11 -0.78 1.80 0.00 -0.00 0.00 0.00 175.17 176.30 1j5i n ALA 100 N -2.56 2.17 0.71 5.23 0.00 -1.26 -2.31 120.51 122.49 1j5i n ALA 100 Ca 0.05 -0.04 0.12 0.00 0.00 0.00 0.00 53.44 53.56 1j5i n ALA 100 Cb 0.54 -1.44 0.13 0.00 0.00 0.00 0.00 19.45 18.68 1j5i n ALA 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j5i n ALA 101 N -1.64 3.36 -2.75 0.00 0.00 -1.26 -4.97 120.51 113.25 1j5i n ALA 101 Ca 0.06 -0.35 -0.09 0.00 0.00 0.00 0.00 53.44 53.06 1j5i n ALA 101 Cb 0.35 -1.06 0.04 0.00 0.00 0.00 0.00 19.45 18.77 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 1.40 0.14 3.78 0.00 0.00 -0.98 -5.04 105.19 104.49 1j5i n GLY 102 Ca 0.03 -0.23 -0.32 0.00 0.00 0.00 0.00 46.02 45.51 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 -3.48 5.60 -0.78 1.61 0.01 -1.26 -4.96 114.94 111.68 1j5i s ASN 103 Ca 0.08 0.08 -0.18 0.00 -0.71 0.00 0.00 52.86 52.13 1j5i s ASN 103 Cb -0.03 -1.56 -0.20 0.00 0.41 0.00 0.00 41.25 39.86 1j5i s ASN 103 CO 0.33 0.23 1.96 0.61 -1.51 0.00 0.00 177.10 178.72 1j5i n GLY 104 N 0.91 -0.38 3.80 0.66 0.00 -1.26 -4.50 105.19 104.41 1j5i n GLY 104 Ca -0.11 0.60 -0.34 0.00 0.00 0.00 0.00 46.02 46.16 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 6.49 3.80 -0.51 1.61 0.04 -1.26 -4.99 135.00 140.17 1j5i s PRO 105 Ca 1.05 1.35 -0.24 0.00 0.04 0.00 0.00 61.00 63.20 1j5i s PRO 105 Cb -0.87 -2.10 0.04 0.00 0.04 0.00 0.00 34.50 31.61 1j5i s PRO 105 CO 0.40 -0.43 0.88 -1.21 0.04 0.00 0.00 177.00 176.68 1j5i s GLU 106 N -3.25 3.35 0.09 4.56 8.01 -1.26 -5.01 118.70 125.20 1j5i s GLU 106 Ca 0.67 -0.23 0.02 0.00 0.01 0.00 0.00 54.97 55.44 1j5i s GLU 106 Cb -0.16 -4.02 -0.04 0.00 -4.31 0.00 0.00 34.13 25.60 1j5i s GLU 106 CO 0.20 -1.35 0.15 0.20 0.01 0.00 0.00 175.26 174.47 1j5i s GLY 107 N 2.61 2.00 -0.32 -1.39 0.00 -1.26 -4.19 107.32 104.76 1j5i s GLY 107 Ca 0.30 -0.99 -0.11 0.00 0.00 0.00 0.00 44.72 43.91 1j5i s GLY 107 CO 0.20 -0.98 0.20 0.54 0.00 0.00 0.00 173.10 173.06 1j5i s VAL 108 N -1.52 5.07 -0.80 1.40 0.11 -0.43 -4.78 120.40 119.46 1j5i s VAL 108 Ca 0.32 -0.18 -0.25 0.00 -2.93 0.00 0.00 61.98 58.93 1j5i s VAL 108 Cb -0.12 -3.55 -0.08 0.00 -1.53 0.00 0.00 36.38 31.11 1j5i s VAL 108 CO 0.25 0.08 2.13 0.00 -3.33 0.00 0.00 175.10 174.23 1j5i s ALA 109 N 1.70 1.39 0.49 1.54 0.00 -1.26 -0.25 121.76 125.37 1j5i s ALA 109 Ca 0.06 -1.04 -0.21 0.00 0.00 0.00 0.00 51.96 50.76 1j5i s ALA 109 Cb -0.17 -4.52 -0.07 0.00 0.00 0.00 0.00 23.12 18.36 1j5i s ALA 109 CO 0.09 -5.05 1.11 -1.50 0.00 0.00 0.00 175.76 170.41 1j5i s ILE 110 N 11.73 3.33 -0.36 0.00 2.07 -0.63 -4.84 121.20 132.49 1j5i s ILE 110 Ca 0.80 0.90 -0.25 0.00 -1.41 0.00 0.00 60.65 60.69 1j5i s ILE 110 Cb -0.10 -3.41 -0.26 0.00 0.13 0.00 0.00 42.46 38.82 1j5i s ILE 110 CO 0.07 -0.11 1.73 -1.20 -1.91 0.00 0.00 174.94 173.52 1j5i n SER 111 N -0.83 1.74 -4.62 4.50 7.64 0.11 -4.43 113.62 117.74 1j5i n SER 111 Ca 0.09 -2.55 -0.63 0.00 1.01 0.00 0.00 58.87 56.80 1j5i n SER 111 Cb 0.50 -0.78 -0.09 0.00 -1.01 0.00 0.00 64.21 62.83 1j5i n SER 111 CO 0.00 0.00 0.00 2.22 -3.01 0.00 0.00 175.04 174.25 1j5i n PHE 112 N 7.98 1.18 0.00 1.43 1.16 -1.26 -1.69 117.46 126.26 1j5i n PHE 112 Ca 0.46 1.08 0.00 0.00 -1.87 0.00 0.00 57.45 57.12 1j5i n PHE 112 Cb 0.38 -2.16 0.00 0.00 -1.61 0.00 0.00 39.48 36.09 1j5i n PHE 112 CO 0.00 0.00 0.00 -1.71 -1.87 0.00 0.00 176.76 173.18