#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 2.78 -0.84 0.00 0.00 -1.26 -4.98 120.51 116.21 1j5i n ALA 2 Ca 0.00 -2.53 -0.17 0.00 0.00 0.00 0.00 53.44 50.74 1j5i n ALA 2 Cb 0.00 -0.93 -0.09 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 -0.38 1.99 0.00 0.00 -0.04 -1.26 -4.73 135.00 130.57 1j5i n PRO 3 Ca 0.04 -1.13 0.00 0.00 -0.04 0.00 0.00 63.50 62.37 1j5i n PRO 3 Cb 0.83 -2.15 0.00 0.00 -0.04 0.00 0.00 33.50 32.14 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 3.11 0.00 -3.08 0.52 -2.24 -0.96 -4.13 114.28 107.50 1j5i n THR 4 Ca 0.42 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.80 1j5i n THR 4 Cb 0.50 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.67 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 3.56 0.01 6.98 0.00 -1.24 0.98 121.76 131.00 1j5i s ALA 5 Ca 0.00 -0.26 -0.13 0.00 0.00 0.00 0.00 51.96 51.57 1j5i s ALA 5 Cb 0.00 -3.02 0.02 0.00 0.00 0.00 0.00 23.12 20.12 1j5i s ALA 5 CO 0.00 -0.62 0.27 0.95 0.00 0.00 0.00 175.76 176.35 1j5i s THR 6 N 2.07 0.07 0.03 0.00 -4.23 -0.34 -4.59 115.64 108.67 1j5i s THR 6 Ca 0.29 -0.62 -0.26 0.00 -1.18 0.00 0.00 61.69 59.93 1j5i s THR 6 Cb -0.16 -0.71 -0.05 0.00 1.34 0.00 0.00 72.50 72.92 1j5i s THR 6 CO 0.10 -0.34 0.80 -0.69 -0.54 0.00 0.00 174.62 173.95 1j5i s VAL 7 N -1.80 4.76 0.10 2.29 1.01 -1.26 -1.52 120.40 123.98 1j5i s VAL 7 Ca -0.11 1.70 -0.20 0.00 0.00 0.00 0.00 61.98 63.38 1j5i s VAL 7 Cb -0.04 -4.15 -0.04 0.00 0.00 0.00 0.00 36.38 32.15 1j5i s VAL 7 CO 0.01 0.32 1.02 0.41 0.00 0.00 0.00 175.10 176.87 1j5i n THR 8 N 3.04 -0.43 -0.03 3.92 -1.04 -0.30 -4.40 114.28 115.05 1j5i n THR 8 Ca -0.01 1.61 0.00 0.00 -2.04 0.00 0.00 64.05 63.61 1j5i n THR 8 Cb 0.50 -1.99 0.00 0.00 -1.82 0.00 0.00 70.33 67.02 1j5i n THR 8 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1j5i n PRO 9 N -4.68 0.95 0.17 -2.82 -0.04 -1.26 -5.07 135.00 122.24 1j5i n PRO 9 Ca 0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 1j5i n PRO 9 Cb 0.16 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.62 1j5i n PRO 9 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1j5i n SER 10 N -0.10 -2.26 -4.40 3.54 7.64 -1.26 -5.04 113.62 111.73 1j5i n SER 10 Ca 0.00 0.62 -0.20 0.00 1.01 0.00 0.00 58.87 60.29 1j5i n SER 10 Cb 0.00 2.23 -0.10 0.00 -1.01 0.00 0.00 64.21 65.32 1j5i n SER 10 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1j5i s SER 11 N -2.88 2.80 0.00 6.43 0.15 -1.26 -1.94 113.70 117.00 1j5i s SER 11 Ca 0.00 -1.10 0.00 0.00 0.70 0.00 0.00 55.95 55.55 1j5i s SER 11 Cb 0.00 -0.17 0.00 0.00 -1.71 0.00 0.00 66.02 64.14 1j5i s SER 11 CO 0.00 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 174.83 1j5i n GLY 12 N -0.50 0.45 3.80 9.45 0.00 -0.69 -4.86 105.19 112.84 1j5i n GLY 12 Ca -0.06 -0.97 -0.31 0.00 0.00 0.00 0.00 46.02 44.67 1j5i n GLY 12 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1j5i s LEU 13 N 0.00 3.05 0.13 0.99 1.02 -0.67 -5.06 118.68 118.15 1j5i s LEU 13 Ca 0.00 1.65 0.09 0.00 0.02 0.00 0.00 54.13 55.89 1j5i s LEU 13 Cb 0.00 -4.45 -0.04 0.00 0.02 0.00 0.00 46.19 41.72 1j5i s LEU 13 CO 0.00 -1.66 -0.21 -0.55 0.02 0.00 0.00 176.35 173.94 1j5i s SER 14 N -3.69 2.78 -1.00 2.29 0.15 -1.26 -4.94 113.70 108.04 1j5i s SER 14 Ca 0.59 -0.77 -0.25 0.00 0.70 0.00 0.00 55.95 56.22 1j5i s SER 14 Cb -0.15 -0.17 -0.22 0.00 -1.71 0.00 0.00 66.02 63.77 1j5i s SER 14 CO 0.55 0.05 2.07 -0.90 1.20 0.00 0.00 173.24 176.21 1j5i n ASP 15 N 0.74 1.12 0.00 5.45 5.68 -1.25 -0.52 116.55 127.77 1j5i n ASP 15 Ca -0.17 -2.34 0.00 0.00 -0.50 0.00 0.00 54.79 51.78 1j5i n ASP 15 Cb 0.55 -1.66 0.00 0.00 -1.14 0.00 0.00 41.12 38.87 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 6.08 0.96 3.50 6.12 0.00 0.25 -4.74 105.19 117.36 1j5i n GLY 16 Ca 0.39 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.52 4.47 -0.18 2.61 2.01 0.32 -4.70 115.64 118.64 1j5i s THR 17 Ca 0.00 0.04 -0.29 0.00 0.31 0.00 0.00 61.69 61.75 1j5i s THR 17 Cb 0.00 -4.52 -0.01 0.00 0.01 0.00 0.00 72.50 67.98 1j5i s THR 17 CO 0.00 -1.11 1.28 -0.69 -0.69 0.00 0.00 174.62 173.41 1j5i s VAL 18 N 3.72 4.24 0.30 3.82 1.01 -1.26 0.17 120.40 132.41 1j5i s VAL 18 Ca 0.26 1.49 0.04 0.00 0.00 0.00 0.00 61.98 63.77 1j5i s VAL 18 Cb -0.14 -4.01 -0.03 0.00 0.00 0.00 0.00 36.38 32.20 1j5i s VAL 18 CO 0.16 -0.18 0.28 0.68 0.00 0.00 0.00 175.10 176.04 1j5i s VAL 19 N 3.65 0.00 -0.16 2.92 -7.23 -0.23 -4.98 120.40 114.37 1j5i s VAL 19 Ca 0.55 -1.93 -0.03 0.00 -1.81 0.00 0.00 61.98 58.77 1j5i s VAL 19 Cb -0.21 -2.51 -0.02 0.00 0.56 0.00 0.00 36.38 34.19 1j5i s VAL 19 CO 0.16 0.00 -0.05 -0.75 -0.31 0.00 0.00 175.10 174.15 1j5i s LYS 20 N -3.55 3.60 -0.41 4.82 2.20 -1.26 -1.25 119.74 123.88 1j5i s LYS 20 Ca 0.38 -0.56 -0.13 0.00 -0.36 0.00 0.00 55.97 55.31 1j5i s LYS 20 Cb 0.03 -2.88 0.04 0.00 -1.51 0.00 0.00 37.83 33.51 1j5i s LYS 20 CO 0.23 0.20 0.28 0.08 -0.36 0.00 0.00 175.35 175.79 1j5i s VAL 21 N 0.45 4.95 -0.05 4.02 1.01 0.22 -1.14 120.40 129.85 1j5i s VAL 21 Ca -0.05 -0.86 -0.19 0.00 0.00 0.00 0.00 61.98 60.88 1j5i s VAL 21 Cb -0.15 -3.82 -0.05 0.00 0.00 0.00 0.00 36.38 32.37 1j5i s VAL 21 CO 0.03 -0.35 0.55 0.00 0.00 0.00 0.00 175.10 175.32 1j5i s ALA 22 N 1.61 3.48 -0.77 5.51 0.00 -0.57 -0.03 121.76 130.99 1j5i s ALA 22 Ca 0.04 -0.06 -0.06 0.00 0.00 0.00 0.00 51.96 51.88 1j5i s ALA 22 Cb -0.20 -2.70 0.20 0.00 0.00 0.00 0.00 23.12 20.41 1j5i s ALA 22 CO 0.08 0.10 0.64 0.20 0.00 0.00 0.00 175.76 176.78 1j5i s GLY 23 N 0.16 2.73 -1.01 0.00 0.00 0.33 -1.19 107.32 108.35 1j5i s GLY 23 Ca 0.29 -3.47 -0.21 0.00 0.00 0.00 0.00 44.72 41.34 1j5i s GLY 23 CO 0.14 1.18 1.35 0.00 0.00 0.00 0.00 173.10 175.77 1j5i s ALA 24 N -0.42 2.98 0.00 3.20 0.00 0.28 -1.32 121.76 126.48 1j5i s ALA 24 Ca 0.21 -2.48 0.00 0.00 0.00 0.00 0.00 51.96 49.68 1j5i s ALA 24 Cb -0.14 -4.36 0.00 0.00 0.00 0.00 0.00 23.12 18.61 1j5i s ALA 24 CO -0.07 -3.37 0.00 0.41 0.00 0.00 0.00 175.76 172.72 1j5i n GLY 25 N 6.30 1.50 0.00 0.00 0.00 0.25 -2.25 105.19 110.99 1j5i n GLY 25 Ca 0.31 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -4.55 0.99 7.94 0.01 -4.80 117.00 116.59 1j5i n LEU 26 Ca 0.00 0.00 -0.37 0.00 -1.11 0.00 0.00 56.01 54.53 1j5i n LEU 26 Cb 0.15 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 44.07 1j5i n LEU 26 CO 0.00 0.00 1.51 -1.10 -1.11 0.00 0.00 177.39 176.69 1j5i s GLN 27 N 0.00 2.71 -0.78 1.96 1.11 -1.26 -4.77 119.66 118.64 1j5i s GLN 27 Ca 0.00 0.30 -0.24 0.00 0.01 0.00 0.00 55.36 55.43 1j5i s GLN 27 Cb 0.00 -4.51 -0.16 0.00 -1.01 0.00 0.00 33.01 27.34 1j5i s GLN 27 CO 0.00 -2.75 2.39 0.00 0.01 0.00 0.00 175.29 174.94 1j5i n ALA 28 N 12.42 0.49 -0.90 6.09 0.00 -1.26 -1.27 120.51 136.09 1j5i n ALA 28 Ca 0.22 -1.23 0.00 0.00 0.00 0.00 0.00 53.44 52.42 1j5i n ALA 28 Cb 0.51 -3.14 0.00 0.00 0.00 0.00 0.00 19.45 16.81 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 6.53 0.23 3.98 0.00 0.00 0.29 -4.80 105.19 111.41 1j5i n GLY 29 Ca 0.49 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.26 1j5i n GLY 29 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1j5i s THR 30 N -1.56 2.12 -0.16 2.61 -4.23 -0.39 -4.81 115.64 109.22 1j5i s THR 30 Ca 0.00 -0.47 -0.04 0.00 -1.18 0.00 0.00 61.69 59.99 1j5i s THR 30 Cb 0.00 -2.64 0.08 0.00 1.34 0.00 0.00 72.50 71.27 1j5i s THR 30 CO 0.00 0.00 0.26 0.00 -0.54 0.00 0.00 174.62 174.34 1j5i s ALA 31 N -3.28 -0.54 0.00 3.99 0.00 -1.26 -1.61 121.76 119.07 1j5i s ALA 31 Ca 0.67 0.78 0.00 0.00 0.00 0.00 0.00 51.96 53.41 1j5i s ALA 31 Cb -0.05 -1.14 0.00 0.00 0.00 0.00 0.00 23.12 21.93 1j5i s ALA 31 CO 0.46 -0.82 0.00 0.66 0.00 0.00 0.00 175.76 176.06 1j5i n TYR 32 N 5.35 0.00 -3.72 0.00 4.01 0.10 -4.91 117.16 117.99 1j5i n TYR 32 Ca -0.06 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.32 1j5i n TYR 32 Cb 0.50 0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 39.41 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 -0.40 5.55 0.04 7.72 2.15 -1.17 0.56 116.67 131.12 1j5i s ASP 33 Ca 0.00 -0.09 -0.18 0.00 0.43 0.00 0.00 52.55 52.71 1j5i s ASP 33 Cb 0.00 -2.01 -0.06 0.00 -0.30 0.00 0.00 42.92 40.55 1j5i s ASP 33 CO 0.00 -0.01 0.52 0.54 -0.17 0.00 0.00 175.17 176.05 1j5i s VAL 34 N 1.49 4.86 0.00 1.11 0.11 -0.39 0.34 120.40 127.92 1j5i s VAL 34 Ca 0.06 1.09 0.00 0.00 -2.93 0.00 0.00 61.98 60.20 1j5i s VAL 34 Cb -0.15 -3.84 0.00 0.00 -1.53 0.00 0.00 36.38 30.86 1j5i s VAL 34 CO 0.06 0.55 0.00 0.61 -3.33 0.00 0.00 175.10 172.98 1j5i n GLY 35 N 1.86 1.62 3.52 6.54 0.00 0.40 -0.55 105.19 118.58 1j5i n GLY 35 Ca -0.11 -0.48 -0.43 0.00 0.00 0.00 0.00 46.02 45.00 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 3.34 0.15 1.61 -2.07 -1.26 -1.83 119.66 117.60 1j5i s GLN 36 Ca 0.00 -0.35 0.06 0.00 -1.82 0.00 0.00 55.36 53.25 1j5i s GLN 36 Cb 0.00 -3.92 -0.04 0.00 -1.09 0.00 0.00 33.01 27.96 1j5i s GLN 36 CO 0.00 -0.91 0.04 0.00 -1.32 0.00 0.00 175.29 173.09 1j5i s ALA 38 N -1.61 -2.13 -0.13 0.00 0.00 -0.65 -1.66 121.76 115.59 1j5i s ALA 38 Ca 0.28 1.76 -0.29 0.00 0.00 0.00 0.00 51.96 53.71 1j5i s ALA 38 Cb -0.10 -0.36 -0.05 0.00 0.00 0.00 0.00 23.12 22.61 1j5i s ALA 38 CO 0.20 -0.54 1.87 -1.58 0.00 0.00 0.00 175.76 175.71 1j5i s TRP 39 N -2.13 1.62 -0.23 0.00 0.51 -1.26 -0.66 118.94 116.79 1j5i s TRP 39 Ca 0.10 0.21 -0.05 0.00 -2.12 0.00 0.00 56.10 54.25 1j5i s TRP 39 Cb -0.01 -4.04 -0.18 0.00 -0.81 0.00 0.00 33.47 28.43 1j5i s TRP 39 CO -0.04 -4.08 -0.09 1.55 -0.51 0.00 0.00 176.95 173.78 1j5i n VAL 40 N 6.40 1.57 -0.24 4.03 3.14 -0.59 -4.81 118.33 127.82 1j5i n VAL 40 Ca 0.22 -0.52 0.00 0.00 -2.96 0.00 0.00 64.34 61.08 1j5i n VAL 40 Cb 0.44 -1.62 0.00 0.00 -1.06 0.00 0.00 33.84 31.60 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 -3.58 0.00 -2.38 6.55 -0.08 -1.18 -4.85 116.55 111.02 1j5i n ASP 41 Ca -0.44 0.00 -0.20 0.00 -1.51 0.00 0.00 54.79 52.64 1j5i n ASP 41 Cb 0.96 0.00 -0.13 0.00 2.34 0.00 0.00 41.12 44.30 1j5i n ASP 41 CO 0.00 0.00 0.00 1.07 0.12 0.00 0.00 177.20 178.39 1j5i n THR 42 N 0.00 3.40 0.00 5.18 5.66 -1.26 -4.06 114.28 123.19 1j5i n THR 42 Ca 0.00 -1.92 0.00 0.00 -3.05 0.00 0.00 64.05 59.08 1j5i n THR 42 Cb 0.00 -2.13 0.00 0.00 -1.55 0.00 0.00 70.33 66.65 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 2.65 0.69 3.60 1.09 0.00 -1.26 -5.06 105.19 106.91 1j5i n GLY 43 Ca 0.53 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 46.12 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 4.40 -0.28 1.61 1.01 -1.26 -4.89 120.40 119.00 1j5i s VAL 44 Ca 0.00 1.24 -0.28 0.00 0.00 0.00 0.00 61.98 62.95 1j5i s VAL 44 Cb 0.00 -4.47 -0.05 0.00 0.00 0.00 0.00 36.38 31.85 1j5i s VAL 44 CO 0.00 -0.76 2.27 -0.22 0.00 0.00 0.00 175.10 176.39 1j5i s LEU 45 N 3.94 3.43 -0.04 3.92 1.98 -1.26 -1.54 118.68 129.11 1j5i s LEU 45 Ca 0.43 1.72 0.07 0.00 -2.89 0.00 0.00 54.13 53.46 1j5i s LEU 45 Cb -0.10 -3.30 -0.02 0.00 0.66 0.00 0.00 46.19 43.44 1j5i s LEU 45 CO 0.24 -2.17 -0.25 0.00 -1.89 0.00 0.00 176.35 172.28 1j5i s ALA 46 N 9.21 2.18 0.20 5.97 0.00 0.16 -1.25 121.76 138.23 1j5i s ALA 46 Ca 1.00 -1.09 0.04 0.00 0.00 0.00 0.00 51.96 51.92 1j5i s ALA 46 Cb -0.30 -0.62 -0.03 0.00 0.00 0.00 0.00 23.12 22.17 1j5i s ALA 46 CO 0.33 0.49 0.29 0.00 0.00 0.00 0.00 175.76 176.87 1j5i s ASN 48 N -3.58 5.56 0.00 0.00 0.02 -1.20 0.42 114.94 116.16 1j5i s ASN 48 Ca 0.34 0.65 0.22 0.00 -1.02 0.00 0.00 52.86 53.05 1j5i s ASN 48 Cb -0.10 -1.64 0.94 0.00 0.02 0.00 0.00 41.25 40.47 1j5i s ASN 48 CO 0.28 -1.07 1.70 -0.81 0.02 0.00 0.00 177.10 177.22 1j5i n PRO 49 N -2.56 0.03 -0.36 -0.60 -0.04 -1.25 -2.06 135.00 128.16 1j5i n PRO 49 Ca 0.05 0.12 0.08 0.00 -0.04 0.00 0.00 63.50 63.71 1j5i n PRO 49 Cb 0.58 -1.50 0.26 0.00 -0.04 0.00 0.00 33.50 32.79 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 -1.48 2.53 1.17 0.55 0.00 -1.26 -4.26 120.51 117.76 1j5i n ALA 50 Ca 0.06 -1.42 0.07 0.00 0.00 0.00 0.00 53.44 52.14 1j5i n ALA 50 Cb 0.25 -0.73 0.24 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 0.83 1.51 -4.22 0.00 2.03 -0.87 -4.58 116.55 111.24 1j5i n ASP 51 Ca 0.19 -1.87 -0.42 0.00 0.52 0.00 0.00 54.79 53.22 1j5i n ASP 51 Cb 0.64 -0.16 -0.05 0.00 -0.72 0.00 0.00 41.12 40.83 1j5i n ASP 51 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 1j5i s PHE 52 N -1.69 3.72 -0.41 -0.67 0.08 -1.20 -2.89 117.98 114.92 1j5i s PHE 52 Ca 0.24 -2.45 0.04 0.00 0.12 0.00 0.00 56.93 54.88 1j5i s PHE 52 Cb 0.13 -3.54 0.16 0.00 -0.57 0.00 0.00 43.02 39.20 1j5i s PHE 52 CO 0.18 -0.90 0.43 0.45 -0.10 0.00 0.00 175.22 175.28 1j5i s SER 53 N 1.26 0.72 0.39 1.36 0.15 0.29 -4.96 113.70 112.91 1j5i s SER 53 Ca 0.20 -1.91 -0.15 0.00 0.70 0.00 0.00 55.95 54.79 1j5i s SER 53 Cb -0.13 0.60 -0.12 0.00 -1.71 0.00 0.00 66.02 64.66 1j5i s SER 53 CO -0.07 -0.20 -0.08 -1.54 1.20 0.00 0.00 173.24 172.55 1j5i n SER 54 N 3.73 -2.85 -3.72 5.45 3.41 -1.26 -1.26 113.62 117.12 1j5i n SER 54 Ca 0.16 0.55 -0.11 0.00 -0.26 0.00 0.00 58.87 59.21 1j5i n SER 54 Cb 0.48 -0.69 -0.06 0.00 -0.26 0.00 0.00 64.21 63.68 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 -1.57 0.08 -0.11 -3.33 0.11 0.19 -4.57 120.40 111.20 1j5i s VAL 55 Ca 0.46 -0.69 -0.09 0.00 -2.93 0.00 0.00 61.98 58.73 1j5i s VAL 55 Cb -0.42 -1.07 0.03 0.00 -1.53 0.00 0.00 36.38 33.40 1j5i s VAL 55 CO 0.53 -0.38 0.29 0.28 -3.33 0.00 0.00 175.10 172.49 1j5i s THR 56 N -3.09 -0.01 -0.15 5.04 -1.32 -1.26 0.02 115.64 114.86 1j5i s THR 56 Ca -0.01 0.03 -0.05 0.00 -1.21 0.00 0.00 61.69 60.45 1j5i s THR 56 Cb 0.01 -0.42 -0.03 0.00 -1.51 0.00 0.00 72.50 70.55 1j5i s THR 56 CO -0.07 0.01 0.01 0.00 -2.21 0.00 0.00 174.62 172.36 1j5i s ALA 57 N 0.43 3.20 0.94 11.08 0.00 -0.63 -4.31 121.76 132.47 1j5i s ALA 57 Ca -0.02 -0.79 -0.13 0.00 0.00 0.00 0.00 51.96 51.02 1j5i s ALA 57 Cb -0.04 -1.68 0.02 0.00 0.00 0.00 0.00 23.12 21.41 1j5i s ALA 57 CO -0.02 0.27 0.31 -0.25 0.00 0.00 0.00 175.76 176.07 1j5i n ASP 58 N 3.30 -2.35 -0.56 0.00 10.43 0.15 0.10 116.55 127.62 1j5i n ASP 58 Ca -0.17 0.34 0.47 0.00 2.57 0.00 0.00 54.79 57.99 1j5i n ASP 58 Cb 0.53 -1.17 0.77 0.00 1.84 0.00 0.00 41.12 43.08 1j5i n ASP 58 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1j5i h ALA 59 N -1.43 3.60 -0.44 2.24 0.00 -1.87 2.88 119.26 124.25 1j5i h ALA 59 Ca -0.44 -0.06 -0.25 0.00 0.00 0.00 0.00 54.91 54.16 1j5i h ALA 59 Cb 1.29 0.13 -0.13 0.00 0.00 0.00 0.00 17.79 19.07 1j5i h ALA 59 CO 0.34 -2.15 0.33 -1.71 0.00 0.00 0.00 179.25 176.06 1j5i n ASN 60 N -3.90 4.58 -4.28 0.00 2.85 -1.26 -4.13 115.26 109.12 1j5i n ASN 60 Ca 0.38 -2.83 -0.35 0.00 -0.11 0.00 0.00 54.58 51.67 1j5i n ASN 60 Cb 1.79 -0.82 -0.05 0.00 1.24 0.00 0.00 39.78 41.94 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 0.05 -0.33 3.20 8.20 0.00 0.96 -4.39 105.19 112.88 1j5i n GLY 61 Ca 0.27 0.13 -0.41 0.00 0.00 0.00 0.00 46.02 46.01 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 5.77 -0.81 1.61 0.01 -0.95 0.87 113.70 116.52 1j5i s SER 62 Ca 0.50 -2.27 -0.08 0.00 1.31 0.00 0.00 55.95 55.41 1j5i s SER 62 Cb -0.28 -2.01 0.21 0.00 0.21 0.00 0.00 66.02 64.15 1j5i s SER 62 CO 0.96 -0.60 0.71 0.00 0.41 0.00 0.00 173.24 174.72 1j5i s ALA 63 N 0.82 4.03 -1.17 1.44 0.00 -0.43 0.34 121.76 126.78 1j5i s ALA 63 Ca 0.10 -3.47 -0.10 0.00 0.00 0.00 0.00 51.96 48.50 1j5i s ALA 63 Cb -0.22 -3.12 0.23 0.00 0.00 0.00 0.00 23.12 20.00 1j5i s ALA 63 CO -0.03 -2.19 1.36 -1.13 0.00 0.00 0.00 175.76 173.77 1j5i n SER 64 N 3.36 5.46 -4.53 0.00 3.41 -1.26 0.12 113.62 120.18 1j5i n SER 64 Ca 0.14 -3.06 -0.34 0.00 -0.26 0.00 0.00 58.87 55.36 1j5i n SER 64 Cb 0.41 -1.45 -0.12 0.00 -0.26 0.00 0.00 64.21 62.79 1j5i n SER 64 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1j5i s THR 65 N -0.15 3.95 -0.04 6.66 -1.32 0.96 -4.88 115.64 120.83 1j5i s THR 65 Ca 0.37 -0.35 -0.06 0.00 -1.21 0.00 0.00 61.69 60.44 1j5i s THR 65 Cb -0.04 -2.71 -0.04 0.00 -1.51 0.00 0.00 72.50 68.20 1j5i s THR 65 CO -0.02 0.52 0.21 -0.94 -2.21 0.00 0.00 174.62 172.17 1j5i s SER 66 N 0.08 6.43 0.29 8.08 1.04 -1.26 0.70 113.70 129.06 1j5i s SER 66 Ca -0.00 0.47 -0.08 0.00 0.48 0.00 0.00 55.95 56.83 1j5i s SER 66 Cb -0.13 -2.06 -0.00 0.00 0.10 0.00 0.00 66.02 63.92 1j5i s SER 66 CO 0.03 0.30 0.45 -0.22 0.98 0.00 0.00 173.24 174.79 1j5i s LEU 67 N -1.58 0.67 -0.17 2.42 0.20 -0.38 -4.88 118.68 114.96 1j5i s LEU 67 Ca 0.24 -1.21 -0.06 0.00 0.69 0.00 0.00 54.13 53.78 1j5i s LEU 67 Cb -0.13 1.55 -0.04 0.00 -0.43 0.00 0.00 46.19 47.14 1j5i s LEU 67 CO 0.13 -1.20 0.03 -0.89 -0.29 0.00 0.00 176.35 174.13 1j5i s THR 68 N -3.56 4.47 -1.02 3.68 2.01 -1.26 -1.07 115.64 118.89 1j5i s THR 68 Ca 0.27 -0.15 -0.18 0.00 0.31 0.00 0.00 61.69 61.94 1j5i s THR 68 Cb 0.00 -3.00 0.13 0.00 0.01 0.00 0.00 72.50 69.64 1j5i s THR 68 CO 0.14 0.48 1.27 -0.69 -0.69 0.00 0.00 174.62 175.13 1j5i s VAL 69 N 0.32 4.65 -1.16 3.82 1.01 0.13 -4.78 120.40 124.38 1j5i s VAL 69 Ca 0.01 -1.71 -0.09 0.00 0.00 0.00 0.00 61.98 60.18 1j5i s VAL 69 Cb -0.13 -4.87 0.24 0.00 0.00 0.00 0.00 36.38 31.62 1j5i s VAL 69 CO 0.01 -1.62 1.44 0.54 0.00 0.00 0.00 175.10 175.48 1j5i n ARG 70 N 6.77 3.77 -0.61 2.72 1.74 -1.26 0.88 116.66 130.67 1j5i n ARG 70 Ca 0.29 -4.16 0.46 0.00 -0.77 0.00 0.00 57.85 53.68 1j5i n ARG 70 Cb 0.48 -2.73 0.71 0.00 -1.02 0.00 0.00 32.46 29.90 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 3.24 -0.00 -3.31 5.56 0.63 -1.26 -3.65 116.66 117.86 1j5i n ARG 71 Ca 0.31 0.97 -0.41 0.00 -0.92 0.00 0.00 57.85 57.80 1j5i n ARG 71 Cb 0.38 -2.20 -0.08 0.00 0.45 0.00 0.00 32.46 31.00 1j5i n ARG 71 CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 1j5i s SER 72 N -3.92 6.28 0.17 6.15 0.01 -1.24 -0.02 113.70 121.13 1j5i s SER 72 Ca -0.05 0.01 -0.23 0.00 1.31 0.00 0.00 55.95 56.99 1j5i s SER 72 Cb 0.24 -2.24 0.07 0.00 0.21 0.00 0.00 66.02 64.29 1j5i s SER 72 CO 0.78 -0.38 0.62 0.72 0.41 0.00 0.00 173.24 175.39 1j5i s PHE 73 N 2.23 -0.50 -0.84 2.43 -0.12 -0.65 -4.89 117.98 115.64 1j5i s PHE 73 Ca 0.16 0.26 -0.22 0.00 -0.05 0.00 0.00 56.93 57.09 1j5i s PHE 73 Cb -0.16 0.58 0.09 0.00 -0.63 0.00 0.00 43.02 42.89 1j5i s PHE 73 CO 0.12 -0.88 1.15 -2.00 -0.05 0.00 0.00 175.22 173.55 1j5i s GLU 74 N -3.75 3.40 0.62 1.99 2.56 -1.25 -0.43 118.70 121.84 1j5i s GLU 74 Ca 0.02 -1.19 -0.18 0.00 0.00 0.00 0.00 54.97 53.62 1j5i s GLU 74 Cb -0.02 -4.71 -0.06 0.00 2.00 0.00 0.00 34.13 31.35 1j5i s GLU 74 CO -0.11 -1.91 0.74 0.41 -0.56 0.00 0.00 175.26 173.83 1j5i n GLY 75 N 5.70 -0.94 2.70 -1.50 0.00 0.26 -3.92 105.19 107.49 1j5i n GLY 75 Ca 0.15 -0.20 -0.28 0.00 0.00 0.00 0.00 46.02 45.68 1j5i n GLY 75 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1j5i s PHE 76 N -1.67 1.04 0.45 1.61 2.19 0.17 -1.08 117.98 120.69 1j5i s PHE 76 Ca 0.72 -1.02 -0.22 0.00 0.33 0.00 0.00 56.93 56.73 1j5i s PHE 76 Cb -0.41 -1.14 -0.11 0.00 -1.31 0.00 0.00 43.02 40.05 1j5i s PHE 76 CO 0.51 -0.69 0.74 1.28 1.83 0.00 0.00 175.22 178.89 1j5i n LEU 77 N 5.04 1.27 0.21 6.12 4.32 0.22 -1.24 117.00 132.94 1j5i n LEU 77 Ca -0.07 0.93 0.08 0.00 -0.02 0.00 0.00 56.01 56.93 1j5i n LEU 77 Cb 0.45 -1.22 0.43 0.00 -1.62 0.00 0.00 43.42 41.46 1j5i n LEU 77 CO 0.11 -2.33 0.76 2.19 -1.22 0.00 0.00 177.39 176.90 1j5i h PHE 78 N 0.98 0.00 -0.13 -1.77 -5.15 -1.43 -2.66 116.94 106.78 1j5i h PHE 78 Ca -0.43 0.00 0.04 0.00 -0.20 0.00 0.00 57.97 57.38 1j5i h PHE 78 Cb 1.38 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 37.54 1j5i h PHE 78 CO 0.38 0.29 0.10 0.22 -2.00 0.00 0.00 178.31 177.30 1j5i h ASP 79 N 0.00 0.00 0.00 -0.68 1.82 -1.89 -3.45 116.42 112.23 1j5i h ASP 79 Ca -0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1j5i h ASP 79 Cb 0.77 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.78 1j5i h ASP 79 CO 0.04 0.00 0.00 0.61 -1.61 0.00 0.00 179.24 178.28 1j5i n GLY 80 N -1.55 1.12 3.85 -0.78 0.00 -1.00 -5.12 105.19 101.70 1j5i n GLY 80 Ca 0.00 0.00 -0.35 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 -1.13 4.84 -0.08 2.61 2.01 -1.25 -4.90 115.64 117.74 1j5i s THR 81 Ca 0.00 0.82 -0.14 0.00 0.31 0.00 0.00 61.69 62.68 1j5i s THR 81 Cb 0.00 -3.72 -0.05 0.00 0.01 0.00 0.00 72.50 68.74 1j5i s THR 81 CO 0.00 0.18 0.35 -0.60 -0.69 0.00 0.00 174.62 173.86 1j5i s ARG 82 N -2.12 4.02 0.00 4.92 3.52 -1.26 0.73 118.95 128.76 1j5i s ARG 82 Ca 0.40 0.26 0.00 0.00 -0.13 0.00 0.00 55.73 56.26 1j5i s ARG 82 Cb -0.14 -3.31 0.00 0.00 -1.56 0.00 0.00 34.95 29.94 1j5i s ARG 82 CO 0.19 0.49 0.00 1.87 -0.81 0.00 0.00 175.30 177.05 1j5i n TRP 83 N 2.62 0.00 0.00 5.12 -0.00 -0.24 -4.84 117.44 120.10 1j5i n TRP 83 Ca -0.13 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.37 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 3.39 0.58 5.00 5.87 0.00 -0.76 -4.78 105.19 114.49 1j5i n GLY 84 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 0.92 114.28 115.51 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 -1.44 12.58 0.31 0.43 -4.76 118.33 125.45 1j5i n VAL 86 Ca 0.00 0.00 -0.51 0.00 -0.01 0.00 0.00 64.34 63.82 1j5i n VAL 86 Cb 0.00 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 32.86 1j5i n VAL 86 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1j5i n ASP 87 N 9.31 2.10 -2.13 4.52 -0.08 -1.26 -1.64 116.55 127.36 1j5i n ASP 87 Ca 0.00 0.44 -0.21 0.00 -1.51 0.00 0.00 54.79 53.51 1j5i n ASP 87 Cb 0.00 -1.25 -0.00 0.00 2.34 0.00 0.00 41.12 42.21 1j5i n ASP 87 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1j5i h THR 89 N 1.39 0.19 0.00 0.00 1.35 -1.86 -3.39 112.91 110.60 1j5i h THR 89 Ca 0.34 -1.35 -0.07 0.00 -0.55 0.00 0.00 66.41 64.78 1j5i h THR 89 Cb 0.85 1.77 -0.01 0.00 -1.73 0.00 0.00 68.15 69.03 1j5i h THR 89 CO 0.82 0.11 -0.64 0.74 -0.25 0.00 0.00 175.52 176.30 1j5i h THR 90 N 0.00 0.34 -3.32 6.82 2.02 -1.99 -3.47 112.91 113.31 1j5i h THR 90 Ca -0.04 -1.39 -0.51 0.00 0.77 0.00 0.00 66.41 65.24 1j5i h THR 90 Cb 1.18 0.77 -0.00 0.00 -1.74 0.00 0.00 68.15 68.36 1j5i h THR 90 CO 0.02 0.11 -0.07 0.00 0.37 0.00 0.00 175.52 175.95 1j5i s ALA 91 N -2.59 3.55 -0.16 6.16 0.00 -1.26 -5.06 121.76 122.41 1j5i s ALA 91 Ca -0.17 -0.49 -0.19 0.00 0.00 0.00 0.00 51.96 51.11 1j5i s ALA 91 Cb 0.03 -2.40 -0.04 0.00 0.00 0.00 0.00 23.12 20.71 1j5i s ALA 91 CO 0.32 0.14 0.53 0.00 0.00 0.00 0.00 175.76 176.75 1j5i s ALA 92 N -2.19 3.50 -0.24 0.00 0.00 -1.26 -4.77 121.76 116.80 1j5i s ALA 92 Ca 0.46 -0.27 -0.18 0.00 0.00 0.00 0.00 51.96 51.96 1j5i s ALA 92 Cb -0.11 -2.78 -0.03 0.00 0.00 0.00 0.00 23.12 20.21 1j5i s ALA 92 CO 0.31 -0.27 0.53 0.00 0.00 0.00 0.00 175.76 176.34 1j5i s GLN 94 N 2.09 3.30 -0.39 0.00 -0.21 -0.66 -0.94 119.66 122.85 1j5i s GLN 94 Ca 0.23 -0.73 -0.23 0.00 0.02 0.00 0.00 55.36 54.64 1j5i s GLN 94 Cb -0.16 -3.88 0.01 0.00 1.00 0.00 0.00 33.01 29.99 1j5i s GLN 94 CO 0.09 -0.60 0.79 0.08 -2.12 0.00 0.00 175.29 173.54 1j5i s VAL 95 N 1.81 4.70 0.32 1.09 1.01 0.11 -0.08 120.40 129.35 1j5i s VAL 95 Ca 0.07 0.77 -0.19 0.00 0.00 0.00 0.00 61.98 62.64 1j5i s VAL 95 Cb -0.18 -4.25 0.05 0.00 0.00 0.00 0.00 36.38 32.01 1j5i s VAL 95 CO 0.11 -0.52 0.82 -0.83 0.00 0.00 0.00 175.10 174.68 1j5i s GLY 96 N 1.93 0.18 -0.13 4.51 0.00 -0.76 -1.61 107.32 111.44 1j5i s GLY 96 Ca 0.31 -0.52 -0.04 0.00 0.00 0.00 0.00 44.72 44.47 1j5i s GLY 96 CO 0.19 0.13 0.02 0.48 0.00 0.00 0.00 173.10 173.93 1j5i s LEU 97 N -3.07 3.66 0.06 0.66 2.34 -1.26 -0.45 118.68 120.61 1j5i s LEU 97 Ca 0.15 0.10 -0.23 0.00 0.06 0.00 0.00 54.13 54.21 1j5i s LEU 97 Cb -0.05 -1.88 -0.06 0.00 -0.56 0.00 0.00 46.19 43.64 1j5i s LEU 97 CO 0.09 0.27 0.68 -0.94 -1.06 0.00 0.00 176.35 175.39 1j5i s SER 98 N -0.24 7.14 0.79 1.48 1.04 0.15 -4.32 113.70 119.74 1j5i s SER 98 Ca 0.07 1.36 -0.11 0.00 0.48 0.00 0.00 55.95 57.75 1j5i s SER 98 Cb -0.12 -2.42 0.06 0.00 0.10 0.00 0.00 66.02 63.64 1j5i s SER 98 CO 0.02 0.12 1.09 -1.81 0.98 0.00 0.00 173.24 173.64 1j5i s ASP 99 N -0.48 4.41 0.00 7.02 -0.00 -1.26 -3.05 116.67 123.30 1j5i s ASP 99 Ca 0.34 1.75 0.30 0.00 -0.00 0.00 0.00 52.55 54.94 1j5i s ASP 99 Cb -0.20 -2.46 1.57 0.00 -0.00 0.00 0.00 42.92 41.83 1j5i s ASP 99 CO 0.21 -2.09 2.03 0.00 -0.00 0.00 0.00 175.17 175.33 1j5i n ALA 100 N -3.55 2.65 0.84 5.23 0.00 -1.26 -2.75 120.51 121.67 1j5i n ALA 100 Ca 0.09 -0.28 0.10 0.00 0.00 0.00 0.00 53.44 53.35 1j5i n ALA 100 Cb 0.53 -1.39 -0.13 0.00 0.00 0.00 0.00 19.45 18.47 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 -0.58 4.46 -2.52 0.00 0.00 -1.26 -5.00 120.51 115.61 1j5i n ALA 101 Ca 0.22 -0.58 -0.07 0.00 0.00 0.00 0.00 53.44 53.00 1j5i n ALA 101 Cb 0.19 -0.76 0.04 0.00 0.00 0.00 0.00 19.45 18.92 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 1.46 0.07 3.31 0.00 0.00 -1.11 -5.06 105.19 103.87 1j5i n GLY 102 Ca 0.03 -0.14 -0.29 0.00 0.00 0.00 0.00 46.02 45.62 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 -3.47 2.92 -0.84 1.61 0.01 -1.26 -5.02 114.94 108.90 1j5i s ASN 103 Ca 0.06 -0.55 -0.22 0.00 -0.71 0.00 0.00 52.86 51.43 1j5i s ASN 103 Cb -0.01 -0.27 -0.21 0.00 0.41 0.00 0.00 41.25 41.18 1j5i s ASN 103 CO 0.32 0.23 2.16 0.61 -1.51 0.00 0.00 177.10 178.91 1j5i n GLY 104 N 1.87 -0.41 3.79 0.66 0.00 -1.26 -4.40 105.19 105.44 1j5i n GLY 104 Ca -0.17 0.75 -0.29 0.00 0.00 0.00 0.00 46.02 46.31 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 7.16 1.48 -0.48 1.61 0.04 -1.26 -5.00 135.00 138.55 1j5i s PRO 105 Ca 1.13 0.41 -0.22 0.00 0.04 0.00 0.00 61.00 62.36 1j5i s PRO 105 Cb -0.98 -1.87 0.04 0.00 0.04 0.00 0.00 34.50 31.73 1j5i s PRO 105 CO 0.42 -1.99 0.75 -1.21 0.04 0.00 0.00 177.00 175.01 1j5i s GLU 106 N -5.24 3.29 -0.04 4.56 8.01 -1.26 -5.02 118.70 123.01 1j5i s GLU 106 Ca 0.63 -0.38 0.05 0.00 0.01 0.00 0.00 54.97 55.28 1j5i s GLU 106 Cb -0.15 -4.00 -0.02 0.00 -4.31 0.00 0.00 34.13 25.65 1j5i s GLU 106 CO 0.54 -1.19 -0.19 0.20 0.01 0.00 0.00 175.26 174.62 1j5i s GLY 107 N 2.37 1.42 -0.25 -1.39 0.00 -1.26 -4.08 107.32 104.12 1j5i s GLY 107 Ca 0.25 -1.03 -0.10 0.00 0.00 0.00 0.00 44.72 43.83 1j5i s GLY 107 CO 0.19 -0.81 0.16 0.54 0.00 0.00 0.00 173.10 173.18 1j5i s VAL 108 N -0.63 5.24 -0.94 1.40 0.11 -0.63 -4.71 120.40 120.24 1j5i s VAL 108 Ca 0.10 0.14 -0.24 0.00 -2.93 0.00 0.00 61.98 59.04 1j5i s VAL 108 Cb -0.11 -3.46 -0.06 0.00 -1.53 0.00 0.00 36.38 31.22 1j5i s VAL 108 CO 0.00 0.31 1.98 0.00 -3.33 0.00 0.00 175.10 174.06 1j5i s ALA 109 N 1.35 1.60 -0.11 1.54 0.00 -1.26 0.05 121.76 124.93 1j5i s ALA 109 Ca 0.07 -1.55 -0.09 0.00 0.00 0.00 0.00 51.96 50.39 1j5i s ALA 109 Cb -0.15 -4.58 -0.04 0.00 0.00 0.00 0.00 23.12 18.35 1j5i s ALA 109 CO 0.07 -4.99 0.19 -1.50 0.00 0.00 0.00 175.76 169.53 1j5i s ILE 110 N 10.65 5.42 0.00 0.00 1.10 -0.12 -4.66 121.20 133.59 1j5i s ILE 110 Ca 0.72 0.32 0.00 0.00 -0.51 0.00 0.00 60.65 61.18 1j5i s ILE 110 Cb -0.06 -3.46 0.00 0.00 0.15 0.00 0.00 42.46 39.09 1j5i s ILE 110 CO 0.02 0.59 0.00 -0.24 -2.11 0.00 0.00 174.94 173.21 1j5i n SER 111 N 2.10 0.00 -3.55 4.50 2.88 -0.82 -4.23 113.62 114.50 1j5i n SER 111 Ca -0.19 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.27 1j5i n SER 111 Cb 0.54 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.97 1j5i n SER 111 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 1j5i s PHE 112 N 0.00 -0.30 -2.47 0.66 -0.71 -1.23 -1.67 117.98 112.26 1j5i s PHE 112 Ca 0.00 0.32 0.28 0.00 -1.04 0.00 0.00 56.93 56.49 1j5i s PHE 112 Cb 0.00 0.50 1.10 0.00 -1.21 0.00 0.00 43.02 43.41 1j5i s PHE 112 CO 0.00 -0.39 1.77 0.09 -1.34 0.00 0.00 175.22 175.35