#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 0.00 -2.15 0.00 0.00 -1.26 -5.07 120.51 112.03 1j5i n ALA 2 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.07 1j5i n ALA 2 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 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 0.00 2.40 0.00 0.00 -0.04 -1.26 -4.30 135.00 131.80 1j5i n PRO 3 Ca 0.00 -2.76 0.00 0.00 -0.04 0.00 0.00 63.50 60.70 1j5i n PRO 3 Cb 0.00 -3.50 0.00 0.00 -0.04 0.00 0.00 33.50 29.96 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 6.74 0.00 -2.40 0.52 -2.24 -0.95 -4.24 114.28 111.71 1j5i n THR 4 Ca 0.48 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.83 1j5i n THR 4 Cb 0.45 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.66 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 -1.58 3.40 -0.02 6.98 0.00 -1.25 -1.62 121.76 127.67 1j5i s ALA 5 Ca 0.00 0.19 -0.03 0.00 0.00 0.00 0.00 51.96 52.12 1j5i s ALA 5 Cb 0.00 -3.76 0.00 0.00 0.00 0.00 0.00 23.12 19.36 1j5i s ALA 5 CO 0.00 -1.70 0.07 0.95 0.00 0.00 0.00 175.76 175.08 1j5i s THR 6 N 4.31 0.03 0.31 0.00 -4.23 -0.41 -4.31 115.64 111.34 1j5i s THR 6 Ca 0.57 -0.23 -0.27 0.00 -1.18 0.00 0.00 61.69 60.58 1j5i s THR 6 Cb -0.18 -0.18 -0.10 0.00 1.34 0.00 0.00 72.50 73.38 1j5i s THR 6 CO 0.22 -0.13 0.96 -0.69 -0.54 0.00 0.00 174.62 174.45 1j5i s VAL 7 N -0.38 4.09 0.17 2.29 1.01 -1.26 -1.32 120.40 125.00 1j5i s VAL 7 Ca -0.04 1.81 -0.18 0.00 0.00 0.00 0.00 61.98 63.57 1j5i s VAL 7 Cb -0.03 -4.04 0.12 0.00 0.00 0.00 0.00 36.38 32.42 1j5i s VAL 7 CO 0.00 0.22 1.28 0.41 0.00 0.00 0.00 175.10 177.01 1j5i n THR 8 N 0.74 -0.48 -0.89 3.92 -1.04 -0.18 -4.43 114.28 111.92 1j5i n THR 8 Ca 0.01 1.96 -0.06 0.00 -2.04 0.00 0.00 64.05 63.92 1j5i n THR 8 Cb 0.49 -2.53 0.04 0.00 -1.82 0.00 0.00 70.33 66.51 1j5i n THR 8 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1j5i n PRO 9 N -5.16 -0.84 0.21 -2.82 -0.04 -1.26 -5.05 135.00 120.04 1j5i n PRO 9 Ca 0.06 -0.36 0.00 0.00 -0.04 0.00 0.00 63.50 63.16 1j5i n PRO 9 Cb 0.29 -0.29 0.00 0.00 -0.04 0.00 0.00 33.50 33.47 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 -3.26 -2.66 -4.32 3.54 3.41 -1.26 -5.04 113.62 104.02 1j5i n SER 10 Ca 0.03 0.77 -0.18 0.00 -0.26 0.00 0.00 58.87 59.23 1j5i n SER 10 Cb 0.11 2.56 -0.10 0.00 -0.26 0.00 0.00 64.21 66.52 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 -3.26 2.39 -0.71 4.04 0.15 -1.26 -1.81 113.70 113.24 1j5i s SER 11 Ca 0.00 -0.99 0.00 0.00 0.70 0.00 0.00 55.95 55.66 1j5i s SER 11 Cb 0.00 -0.11 0.00 0.00 -1.71 0.00 0.00 66.02 64.20 1j5i s SER 11 CO 0.00 -0.19 0.00 0.61 1.20 0.00 0.00 173.24 174.86 1j5i n GLY 12 N -0.24 0.20 3.87 9.45 0.00 -0.51 -4.84 105.19 113.12 1j5i n GLY 12 Ca -0.09 -0.57 -0.29 0.00 0.00 0.00 0.00 46.02 45.06 1j5i n GLY 12 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1j5i s LEU 13 N -2.21 2.38 0.12 0.99 0.05 -0.85 -5.05 118.68 114.10 1j5i s LEU 13 Ca 0.00 0.52 0.06 0.00 0.05 0.00 0.00 54.13 54.76 1j5i s LEU 13 Cb 0.00 -2.68 -0.04 0.00 -2.05 0.00 0.00 46.19 41.43 1j5i s LEU 13 CO 0.00 -2.64 -0.16 -0.55 -0.55 0.00 0.00 176.35 172.46 1j5i s SER 14 N -4.61 2.12 -0.38 1.48 0.15 -1.26 -4.99 113.70 106.21 1j5i s SER 14 Ca 0.69 -0.77 -0.03 0.00 0.70 0.00 0.00 55.95 56.55 1j5i s SER 14 Cb -0.08 -0.09 -0.06 0.00 -1.71 0.00 0.00 66.02 64.09 1j5i s SER 14 CO 0.52 -0.09 1.71 0.47 1.20 0.00 0.00 173.24 177.06 1j5i n ASP 15 N 0.71 2.80 0.00 5.45 10.43 -1.26 -1.39 116.55 133.29 1j5i n ASP 15 Ca -0.17 -2.08 0.00 0.00 2.57 0.00 0.00 54.79 55.11 1j5i n ASP 15 Cb 0.56 -0.76 0.00 0.00 1.84 0.00 0.00 41.12 42.76 1j5i n ASP 15 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1j5i n GLY 16 N 3.46 0.00 3.44 0.44 0.00 0.12 -4.62 105.19 108.03 1j5i n GLY 16 Ca 0.25 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.83 1j5i n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1j5i s THR 17 N 0.00 4.66 -0.16 2.61 2.01 0.32 -4.76 115.64 120.32 1j5i s THR 17 Ca 0.00 -0.47 -0.17 0.00 0.31 0.00 0.00 61.69 61.36 1j5i s THR 17 Cb 0.00 -4.47 -0.04 0.00 0.01 0.00 0.00 72.50 68.00 1j5i s THR 17 CO 0.00 -1.08 0.42 0.54 -0.69 0.00 0.00 174.62 173.80 1j5i s VAL 18 N 3.17 5.21 0.00 3.82 0.11 -1.26 0.16 120.40 131.61 1j5i s VAL 18 Ca 0.18 0.80 0.00 0.00 -2.93 0.00 0.00 61.98 60.03 1j5i s VAL 18 Cb -0.19 -3.75 0.00 0.00 -1.53 0.00 0.00 36.38 30.91 1j5i s VAL 18 CO 0.11 0.30 0.00 1.33 -3.33 0.00 0.00 175.10 173.52 1j5i n VAL 19 N 3.92 0.00 -4.83 2.04 0.24 -0.60 -4.95 118.33 114.15 1j5i n VAL 19 Ca -0.08 0.00 -0.33 0.00 -2.04 0.00 0.00 64.34 61.89 1j5i n VAL 19 Cb 0.51 0.00 -0.13 0.00 -1.47 0.00 0.00 33.84 32.76 1j5i n VAL 19 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 1j5i s LYS 20 N 0.65 2.48 -0.35 7.34 -2.85 -1.26 -1.84 119.74 123.91 1j5i s LYS 20 Ca 0.00 -0.72 -0.04 0.00 -1.00 0.00 0.00 55.97 54.21 1j5i s LYS 20 Cb 0.00 -2.38 0.06 0.00 -2.06 0.00 0.00 37.83 33.46 1j5i s LYS 20 CO 0.00 0.62 0.11 0.08 0.10 0.00 0.00 175.35 176.26 1j5i s VAL 21 N -0.77 3.47 -0.09 1.79 1.01 0.19 -1.01 120.40 124.99 1j5i s VAL 21 Ca 0.12 -1.44 -0.22 0.00 0.00 0.00 0.00 61.98 60.44 1j5i s VAL 21 Cb -0.11 -3.08 -0.04 0.00 0.00 0.00 0.00 36.38 33.15 1j5i s VAL 21 CO 0.01 -0.30 0.63 0.00 0.00 0.00 0.00 175.10 175.44 1j5i s ALA 22 N 1.30 3.40 -0.46 5.51 0.00 -0.43 0.32 121.76 131.40 1j5i s ALA 22 Ca -0.00 0.01 -0.08 0.00 0.00 0.00 0.00 51.96 51.89 1j5i s ALA 22 Cb -0.21 -2.88 0.12 0.00 0.00 0.00 0.00 23.12 20.15 1j5i s ALA 22 CO -0.00 -0.13 0.31 0.20 0.00 0.00 0.00 175.76 176.15 1j5i s GLY 23 N 0.79 2.03 -0.52 0.00 0.00 0.23 -1.29 107.32 108.57 1j5i s GLY 23 Ca 0.34 -2.54 -0.19 0.00 0.00 0.00 0.00 44.72 42.32 1j5i s GLY 23 CO 0.15 1.09 0.65 0.00 0.00 0.00 0.00 173.10 174.99 1j5i s ALA 24 N 1.31 3.38 0.00 3.20 0.00 -0.64 -0.38 121.76 128.62 1j5i s ALA 24 Ca 0.06 -1.79 0.00 0.00 0.00 0.00 0.00 51.96 50.23 1j5i s ALA 24 Cb -0.25 -3.39 0.00 0.00 0.00 0.00 0.00 23.12 19.48 1j5i s ALA 24 CO -0.02 -2.07 0.00 0.41 0.00 0.00 0.00 175.76 174.08 1j5i n GLY 25 N 5.19 0.93 0.00 0.00 0.00 0.51 -2.25 105.19 109.57 1j5i n GLY 25 Ca -0.07 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.40 1j5i n GLY 25 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1j5i n LEU 26 N -0.09 0.00 -3.96 0.99 -0.00 -0.65 -4.80 117.00 108.48 1j5i n LEU 26 Ca 0.00 0.00 -0.41 0.00 -0.00 0.00 0.00 56.01 55.60 1j5i n LEU 26 Cb 0.33 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.73 1j5i n LEU 26 CO 0.00 0.00 2.30 0.00 -0.00 0.00 0.00 177.39 179.69 1j5i n GLN 27 N 0.00 2.50 -1.55 1.96 1.13 -1.26 -4.78 117.38 115.38 1j5i n GLN 27 Ca 0.00 -2.56 -0.13 0.00 -1.94 0.00 0.00 57.00 52.36 1j5i n GLN 27 Cb 0.00 -3.29 -0.09 0.00 0.11 0.00 0.00 30.24 26.97 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 7.67 0.33 0.00 -1.58 0.00 -1.26 -0.24 120.51 125.42 1j5i n ALA 28 Ca 0.50 -1.59 0.00 0.00 0.00 0.00 0.00 53.44 52.35 1j5i n ALA 28 Cb 0.42 -3.22 0.00 0.00 0.00 0.00 0.00 19.45 16.64 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 6.54 1.09 0.42 0.00 0.00 -0.99 -4.78 105.19 107.47 1j5i n GLY 29 Ca 0.45 -0.06 -0.02 0.00 0.00 0.00 0.00 46.02 46.39 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 0.00 0.00 -3.74 2.61 -1.04 0.66 -4.87 114.28 107.90 1j5i n THR 30 Ca 0.00 -0.17 -0.13 0.00 -2.04 0.00 0.00 64.05 61.71 1j5i n THR 30 Cb 0.00 -1.31 -0.10 0.00 -1.82 0.00 0.00 70.33 67.09 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 -2.78 -0.93 0.00 2.41 0.00 -1.26 -1.57 121.76 117.63 1j5i s ALA 31 Ca 0.07 1.00 0.00 0.00 0.00 0.00 0.00 51.96 53.03 1j5i s ALA 31 Cb -0.00 -0.55 0.00 0.00 0.00 0.00 0.00 23.12 22.57 1j5i s ALA 31 CO 0.05 -0.19 0.00 0.66 0.00 0.00 0.00 175.76 176.28 1j5i n TYR 32 N 2.71 0.00 -4.04 0.00 4.01 0.28 -4.67 117.16 115.46 1j5i n TYR 32 Ca -0.14 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.29 1j5i n TYR 32 Cb 0.57 0.00 -0.16 0.00 -0.31 0.00 0.00 39.34 39.44 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 -0.96 2.92 0.09 7.72 -1.08 0.55 -1.10 116.67 124.80 1j5i s ASP 33 Ca 0.00 -0.60 -0.31 0.00 -0.52 0.00 0.00 52.55 51.12 1j5i s ASP 33 Cb 0.00 -1.25 -0.07 0.00 -1.46 0.00 0.00 42.92 40.14 1j5i s ASP 33 CO 0.00 -0.06 1.31 -0.69 0.52 0.00 0.00 175.17 176.24 1j5i s VAL 34 N 1.43 3.64 -0.30 1.11 1.01 -0.61 0.22 120.40 126.89 1j5i s VAL 34 Ca 0.04 1.17 -0.14 0.00 0.00 0.00 0.00 61.98 63.05 1j5i s VAL 34 Cb -0.14 -3.75 0.18 0.00 0.00 0.00 0.00 36.38 32.67 1j5i s VAL 34 CO -0.11 0.09 1.05 -0.83 0.00 0.00 0.00 175.10 175.30 1j5i s GLY 35 N 1.11 -0.23 -0.84 4.51 0.00 0.81 -1.03 107.32 111.66 1j5i s GLY 35 Ca 0.62 2.95 -0.22 0.00 0.00 0.00 0.00 44.72 48.07 1j5i s GLY 35 CO 0.30 3.57 2.29 -1.06 0.00 0.00 0.00 173.10 178.20 1j5i n GLN 36 N 5.20 0.38 -3.84 2.90 6.02 -1.26 -4.22 117.38 122.57 1j5i n GLN 36 Ca -0.07 -0.74 -0.33 0.00 -0.01 0.00 0.00 57.00 55.85 1j5i n GLN 36 Cb 0.53 -3.10 -0.05 0.00 1.02 0.00 0.00 30.24 28.65 1j5i n GLN 36 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1j5i n ALA 38 N 0.69 0.00 -2.05 0.00 0.00 -0.31 -1.41 120.51 117.42 1j5i n ALA 38 Ca -0.08 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.09 1j5i n ALA 38 Cb 0.52 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.92 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 1.85 -0.18 0.00 -2.14 -1.26 0.46 118.94 115.68 1j5i s TRP 39 Ca 0.00 0.59 -0.24 0.00 2.66 0.00 0.00 56.10 59.11 1j5i s TRP 39 Cb 0.00 -4.02 -0.22 0.00 -3.10 0.00 0.00 33.47 26.13 1j5i s TRP 39 CO 0.00 -1.54 0.42 -0.24 -2.66 0.00 0.00 176.95 172.93 1j5i h VAL 40 N 6.86 1.22 -2.68 -0.66 3.04 -1.21 -3.44 116.25 119.37 1j5i h VAL 40 Ca 0.14 -2.25 -0.44 0.00 -1.01 0.00 0.00 66.70 63.14 1j5i h VAL 40 Cb 0.98 2.64 0.06 0.00 -2.01 0.00 0.00 31.29 32.96 1j5i h VAL 40 CO 1.21 0.43 0.03 -0.62 -1.01 0.00 0.00 177.57 177.61 1j5i s ASP 41 N -6.65 5.09 -0.68 3.17 3.68 -0.98 -4.85 116.67 115.44 1j5i s ASP 41 Ca -0.25 0.02 -0.13 0.00 2.13 0.00 0.00 52.55 54.32 1j5i s ASP 41 Cb 0.03 -0.81 -0.19 0.00 -1.45 0.00 0.00 42.92 40.49 1j5i s ASP 41 CO 0.63 -1.30 1.64 0.41 0.13 0.00 0.00 175.17 176.68 1j5i n THR 42 N -2.50 0.00 -1.89 1.71 -1.04 -1.26 0.21 114.28 109.51 1j5i n THR 42 Ca 0.09 -0.18 -0.04 0.00 -2.04 0.00 0.00 64.05 61.87 1j5i n THR 42 Cb 0.60 -0.16 -0.01 0.00 -1.82 0.00 0.00 70.33 68.94 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 4.07 -0.10 3.52 3.41 0.00 -1.26 -4.86 105.19 109.97 1j5i n GLY 43 Ca 0.46 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.11 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 -1.85 4.71 -1.02 1.61 1.01 0.57 -4.97 120.40 120.46 1j5i s VAL 44 Ca 0.00 -0.04 -0.23 0.00 0.00 0.00 0.00 61.98 61.71 1j5i s VAL 44 Cb 0.00 -3.20 0.00 0.00 0.00 0.00 0.00 36.38 33.18 1j5i s VAL 44 CO 0.00 0.33 1.72 -0.22 0.00 0.00 0.00 175.10 176.93 1j5i s LEU 45 N 1.43 3.36 0.06 3.92 0.20 -1.26 -0.84 118.68 125.55 1j5i s LEU 45 Ca 0.06 -1.26 -0.06 0.00 0.69 0.00 0.00 54.13 53.56 1j5i s LEU 45 Cb -0.15 -2.57 -0.05 0.00 -0.43 0.00 0.00 46.19 42.99 1j5i s LEU 45 CO 0.05 -2.12 0.30 0.00 -0.29 0.00 0.00 176.35 174.30 1j5i s ALA 46 N 7.51 3.84 0.16 5.97 0.00 0.17 -2.28 121.76 137.13 1j5i s ALA 46 Ca 0.58 -0.59 0.04 0.00 0.00 0.00 0.00 51.96 52.00 1j5i s ALA 46 Cb -0.02 -2.07 -0.04 0.00 0.00 0.00 0.00 23.12 20.99 1j5i s ALA 46 CO -0.02 0.67 0.21 0.00 0.00 0.00 0.00 175.76 176.62 1j5i s ASN 48 N -3.21 6.31 0.00 0.00 0.01 0.05 -0.53 114.94 117.58 1j5i s ASN 48 Ca 0.33 -0.33 0.06 0.00 -0.71 0.00 0.00 52.86 52.21 1j5i s ASN 48 Cb -0.10 -2.30 0.35 0.00 0.41 0.00 0.00 41.25 39.60 1j5i s ASN 48 CO 0.26 -0.72 1.01 -0.81 -1.51 0.00 0.00 177.10 175.32 1j5i n PRO 49 N 6.13 0.75 0.00 -0.60 -0.04 -1.26 -1.79 135.00 138.20 1j5i n PRO 49 Ca -0.02 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.51 1j5i n PRO 49 Cb 0.48 -1.12 0.01 0.00 -0.04 0.00 0.00 33.50 32.82 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 -0.62 3.07 0.20 0.55 0.00 -1.26 -4.19 120.51 118.25 1j5i n ALA 50 Ca 0.04 -0.55 0.04 0.00 0.00 0.00 0.00 53.44 52.97 1j5i n ALA 50 Cb 0.02 -0.56 0.05 0.00 0.00 0.00 0.00 19.45 18.96 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 0.01 1.88 -4.56 0.00 4.64 -0.74 -4.90 116.55 112.87 1j5i n ASP 51 Ca 0.07 -1.49 -0.43 0.00 -1.38 0.00 0.00 54.79 51.56 1j5i n ASP 51 Cb 0.34 -0.04 -0.04 0.00 -1.04 0.00 0.00 41.12 40.35 1j5i n ASP 51 CO 0.00 0.00 0.00 0.49 -0.82 0.00 0.00 177.20 176.87 1j5i n PHE 52 N 0.35 1.77 -3.28 -0.67 3.72 -1.09 -3.48 117.46 114.79 1j5i n PHE 52 Ca 0.05 -0.01 -0.07 0.00 -0.05 0.00 0.00 57.45 57.37 1j5i n PHE 52 Cb 0.23 -2.68 -0.05 0.00 -0.94 0.00 0.00 39.48 36.05 1j5i n PHE 52 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1j5i s SER 53 N 9.01 -0.03 0.25 4.37 0.15 -0.19 -4.95 113.70 122.31 1j5i s SER 53 Ca 1.02 -0.59 -0.31 0.00 0.70 0.00 0.00 55.95 56.77 1j5i s SER 53 Cb -0.40 1.26 -0.12 0.00 -1.71 0.00 0.00 66.02 65.05 1j5i s SER 53 CO 0.36 -0.30 1.67 -0.94 1.20 0.00 0.00 173.24 175.23 1j5i s SER 54 N 2.27 6.36 0.11 5.45 1.04 -1.26 -1.57 113.70 126.09 1j5i s SER 54 Ca 0.12 2.93 -0.09 0.00 0.48 0.00 0.00 55.95 59.39 1j5i s SER 54 Cb -0.11 -2.62 -0.00 0.00 0.10 0.00 0.00 66.02 63.39 1j5i s SER 54 CO -0.21 -0.96 0.22 0.54 0.98 0.00 0.00 173.24 173.80 1j5i s VAL 55 N 0.63 0.12 0.24 5.02 0.11 -0.25 -4.90 120.40 121.37 1j5i s VAL 55 Ca 0.70 -1.21 0.11 0.00 -2.93 0.00 0.00 61.98 58.64 1j5i s VAL 55 Cb -0.49 -1.45 -0.05 0.00 -1.53 0.00 0.00 36.38 32.86 1j5i s VAL 55 CO 0.40 -0.56 -0.19 0.28 -3.33 0.00 0.00 175.10 171.69 1j5i s THR 56 N -3.88 2.22 -0.11 5.04 -1.32 -1.26 -0.56 115.64 115.77 1j5i s THR 56 Ca 0.08 -2.26 -0.04 0.00 -1.21 0.00 0.00 61.69 58.26 1j5i s THR 56 Cb 0.04 -2.17 -0.03 0.00 -1.51 0.00 0.00 72.50 68.83 1j5i s THR 56 CO -0.09 -0.40 0.03 0.00 -2.21 0.00 0.00 174.62 171.96 1j5i s ALA 57 N -2.45 3.38 0.72 11.08 0.00 -0.61 -4.58 121.76 129.30 1j5i s ALA 57 Ca 0.26 -0.77 -0.13 0.00 0.00 0.00 0.00 51.96 51.31 1j5i s ALA 57 Cb -0.04 -1.63 0.03 0.00 0.00 0.00 0.00 23.12 21.48 1j5i s ALA 57 CO 0.12 0.51 1.13 -0.51 0.00 0.00 0.00 175.76 177.00 1j5i s ASP 58 N -0.63 4.62 0.48 0.00 1.01 -0.00 -2.34 116.67 119.82 1j5i s ASP 58 Ca 0.11 2.03 0.37 0.00 0.71 0.00 0.00 52.55 55.77 1j5i s ASP 58 Cb -0.12 -2.55 1.55 0.00 1.01 0.00 0.00 42.92 42.81 1j5i s ASP 58 CO 0.02 -1.96 1.60 0.00 0.21 0.00 0.00 175.17 175.04 1j5i h ALA 59 N -0.46 3.12 -0.37 5.23 0.00 -1.89 2.75 119.26 127.64 1j5i h ALA 59 Ca -0.46 0.06 -0.23 0.00 0.00 0.00 0.00 54.91 54.28 1j5i h ALA 59 Cb 1.25 0.20 -0.11 0.00 0.00 0.00 0.00 17.79 19.14 1j5i h ALA 59 CO 0.52 -1.75 0.30 -1.71 0.00 0.00 0.00 179.25 176.61 1j5i n ASN 60 N -4.47 5.34 -4.39 0.00 5.15 -1.26 -4.55 115.26 111.08 1j5i n ASN 60 Ca 0.40 -2.82 -0.39 0.00 -0.60 0.00 0.00 54.58 51.16 1j5i n ASN 60 Cb 1.65 -0.94 -0.08 0.00 -0.53 0.00 0.00 39.78 39.88 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 0.39 -0.34 3.29 8.20 0.00 0.92 -4.52 105.19 113.13 1j5i n GLY 61 Ca 0.23 0.08 -0.44 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 -3.33 5.98 -0.99 1.61 0.01 -1.05 -0.36 113.70 115.58 1j5i s SER 62 Ca 0.68 -1.71 -0.04 0.00 1.31 0.00 0.00 55.95 56.19 1j5i s SER 62 Cb -0.40 -2.12 0.26 0.00 0.21 0.00 0.00 66.02 63.96 1j5i s SER 62 CO 0.98 -0.74 1.00 0.00 0.41 0.00 0.00 173.24 174.89 1j5i n ALA 63 N 5.11 4.15 -2.86 1.44 0.00 0.48 -0.82 120.51 128.01 1j5i n ALA 63 Ca -0.12 -4.66 -0.44 0.00 0.00 0.00 0.00 53.44 48.23 1j5i n ALA 63 Cb 0.41 -2.02 0.00 0.00 0.00 0.00 0.00 19.45 17.84 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 2.23 5.24 -4.51 0.00 3.41 -1.25 0.78 113.62 119.52 1j5i n SER 64 Ca 0.24 -3.01 -0.34 0.00 -0.26 0.00 0.00 58.87 55.49 1j5i n SER 64 Cb 0.37 -1.54 -0.12 0.00 -0.26 0.00 0.00 64.21 62.67 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 1.12 4.01 0.06 6.66 -1.32 0.15 -4.84 115.64 121.48 1j5i s THR 65 Ca 0.41 -0.31 -0.03 0.00 -1.21 0.00 0.00 61.69 60.55 1j5i s THR 65 Cb -0.01 -2.77 -0.05 0.00 -1.51 0.00 0.00 72.50 68.16 1j5i s THR 65 CO 0.00 0.48 0.26 -0.94 -2.21 0.00 0.00 174.62 172.21 1j5i s SER 66 N 0.46 6.43 0.34 8.08 1.04 -1.26 0.55 113.70 129.34 1j5i s SER 66 Ca -0.02 0.44 -0.12 0.00 0.48 0.00 0.00 55.95 56.73 1j5i s SER 66 Cb -0.14 -2.04 0.05 0.00 0.10 0.00 0.00 66.02 63.99 1j5i s SER 66 CO 0.02 0.18 0.66 -0.11 0.98 0.00 0.00 173.24 174.97 1j5i n LEU 67 N 0.56 0.00 -4.56 2.42 -0.00 -0.77 -4.90 117.00 109.76 1j5i n LEU 67 Ca -0.07 -2.30 -0.34 0.00 -0.00 0.00 0.00 56.01 53.29 1j5i n LEU 67 Cb 0.52 3.23 -0.11 0.00 -0.00 0.00 0.00 43.42 47.06 1j5i n LEU 67 CO 0.47 -0.73 -0.30 0.28 -0.00 0.00 0.00 177.39 177.11 1j5i s THR 68 N -2.28 4.35 -0.98 1.96 -1.32 -1.26 -1.56 115.64 114.55 1j5i s THR 68 Ca 0.15 -0.19 -0.18 0.00 -1.21 0.00 0.00 61.69 60.26 1j5i s THR 68 Cb -0.04 -2.95 0.13 0.00 -1.51 0.00 0.00 72.50 68.13 1j5i s THR 68 CO 0.11 0.46 1.21 -0.69 -2.21 0.00 0.00 174.62 173.51 1j5i s VAL 69 N 0.49 4.69 -0.95 5.08 1.01 0.43 -4.87 120.40 126.27 1j5i s VAL 69 Ca 0.00 -1.67 -0.03 0.00 0.00 0.00 0.00 61.98 60.28 1j5i s VAL 69 Cb -0.13 -4.83 0.24 0.00 0.00 0.00 0.00 36.38 31.66 1j5i s VAL 69 CO 0.02 -1.57 0.89 0.54 0.00 0.00 0.00 175.10 174.98 1j5i n ARG 70 N 6.65 2.92 -0.01 2.72 5.12 -1.26 0.12 116.66 132.92 1j5i n ARG 70 Ca 0.27 -4.48 0.23 0.00 -1.93 0.00 0.00 57.85 51.93 1j5i n ARG 70 Cb 0.48 -2.44 0.62 0.00 -1.16 0.00 0.00 32.46 29.96 1j5i n ARG 70 CO 0.00 0.00 0.00 -0.09 -1.93 0.00 0.00 177.63 175.61 1j5i h ARG 71 N 6.06 0.00 -5.35 5.56 9.65 -1.82 -3.34 114.38 125.14 1j5i h ARG 71 Ca 0.17 0.00 -0.65 0.00 -1.10 0.00 0.00 59.98 58.40 1j5i h ARG 71 Cb 0.81 0.00 -0.15 0.00 -1.39 0.00 0.00 29.97 29.24 1j5i h ARG 71 CO 0.92 0.00 0.07 -1.54 2.80 0.00 0.00 179.97 182.21 1j5i s SER 72 N -4.48 6.34 -0.25 -3.80 1.04 -1.22 -0.67 113.70 110.66 1j5i s SER 72 Ca -0.03 -0.18 -0.37 0.00 0.48 0.00 0.00 55.95 55.84 1j5i s SER 72 Cb 0.14 -2.30 0.16 0.00 0.10 0.00 0.00 66.02 64.12 1j5i s SER 72 CO 0.49 -0.66 1.40 -0.36 0.98 0.00 0.00 173.24 175.09 1j5i s PHE 73 N 2.65 -0.01 -0.39 5.02 0.08 -0.42 -4.90 117.98 120.02 1j5i s PHE 73 Ca 0.21 0.00 -0.27 0.00 0.12 0.00 0.00 56.93 57.00 1j5i s PHE 73 Cb -0.15 0.50 0.02 0.00 -0.57 0.00 0.00 43.02 42.82 1j5i s PHE 73 CO 0.16 -0.02 0.99 -2.00 -0.10 0.00 0.00 175.22 174.25 1j5i s GLU 74 N -2.04 3.83 0.59 0.44 2.12 -1.24 -0.75 118.70 121.64 1j5i s GLU 74 Ca 0.12 0.62 -0.07 0.00 0.36 0.00 0.00 54.97 56.01 1j5i s GLU 74 Cb 0.01 -3.82 -0.00 0.00 0.26 0.00 0.00 34.13 30.58 1j5i s GLU 74 CO -0.03 -1.04 0.91 0.20 -0.54 0.00 0.00 175.26 174.76 1j5i s GLY 75 N 1.97 1.59 -0.17 -1.50 0.00 0.13 -4.01 107.32 105.34 1j5i s GLY 75 Ca 0.41 -0.59 0.01 0.00 0.00 0.00 0.00 44.72 44.55 1j5i s GLY 75 CO 0.21 -0.32 -0.20 -1.36 0.00 0.00 0.00 173.10 171.43 1j5i s PHE 76 N -3.00 2.75 1.00 1.90 0.40 0.31 -0.63 117.98 120.71 1j5i s PHE 76 Ca 0.53 -1.52 -0.18 0.00 -0.60 0.00 0.00 56.93 55.16 1j5i s PHE 76 Cb -0.11 -1.89 -0.13 0.00 0.51 0.00 0.00 43.02 41.40 1j5i s PHE 76 CO 0.46 -0.73 -0.78 1.28 0.70 0.00 0.00 175.22 176.15 1j5i n LEU 77 N 4.44 -4.82 0.13 -0.37 4.77 0.22 -1.13 117.00 120.24 1j5i n LEU 77 Ca -0.21 0.16 0.00 0.00 -0.03 0.00 0.00 56.01 55.93 1j5i n LEU 77 Cb 0.51 -0.77 0.12 0.00 -2.33 0.00 0.00 43.42 40.94 1j5i n LEU 77 CO 0.26 -5.13 0.46 2.19 -1.33 0.00 0.00 177.39 173.85 1j5i h PHE 78 N -1.09 0.00 0.33 -1.77 -5.15 -1.72 -3.28 116.94 104.26 1j5i h PHE 78 Ca -0.43 0.00 -0.02 0.00 -0.20 0.00 0.00 57.97 57.32 1j5i h PHE 78 Cb 1.32 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.49 1j5i h PHE 78 CO 0.19 0.61 -0.16 0.22 -2.00 0.00 0.00 178.31 177.18 1j5i h ASP 79 N 0.00 -0.38 0.00 -0.68 -0.00 -1.88 -3.48 116.42 110.00 1j5i h ASP 79 Ca -0.01 -0.15 0.00 0.00 -0.00 0.00 0.00 57.03 56.87 1j5i h ASP 79 Cb 1.27 0.10 0.00 0.00 -0.00 0.00 0.00 39.33 40.69 1j5i h ASP 79 CO 0.08 -0.03 0.00 0.61 -0.00 0.00 0.00 179.24 179.90 1j5i n GLY 80 N -0.40 0.33 3.75 -0.78 0.00 -1.24 -5.15 105.19 101.71 1j5i n GLY 80 Ca -0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.60 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 3.01 -0.02 2.61 2.01 -1.26 -4.73 115.64 117.27 1j5i s THR 81 Ca 0.00 0.39 -0.19 0.00 0.31 0.00 0.00 61.69 62.20 1j5i s THR 81 Cb 0.00 -2.83 -0.05 0.00 0.01 0.00 0.00 72.50 69.63 1j5i s THR 81 CO 0.00 -0.37 0.53 -0.13 -0.69 0.00 0.00 174.62 173.96 1j5i s ARG 82 N -4.51 4.23 0.00 4.92 0.52 -1.26 0.72 118.95 123.57 1j5i s ARG 82 Ca 0.65 0.61 0.00 0.00 -0.52 0.00 0.00 55.73 56.47 1j5i s ARG 82 Cb -0.20 -3.33 0.00 0.00 0.52 0.00 0.00 34.95 31.94 1j5i s ARG 82 CO 0.51 0.42 0.00 1.87 0.02 0.00 0.00 175.30 178.11 1j5i n TRP 83 N 2.64 0.00 0.00 -0.53 -0.00 0.20 -4.73 117.44 115.02 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 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.82 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 3.18 0.71 5.00 5.87 0.00 -0.38 -4.79 105.19 114.78 1j5i n GLY 84 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 0.20 114.28 114.79 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 -1.78 12.58 0.31 0.07 -4.64 118.33 124.87 1j5i n VAL 86 Ca 0.00 0.00 -0.31 0.00 -0.01 0.00 0.00 64.34 64.02 1j5i n VAL 86 Cb 0.00 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 32.89 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 4.68 -0.31 4.52 -1.08 -1.26 -1.30 116.67 117.93 1j5i s ASP 87 Ca 0.00 0.39 -0.03 0.00 -0.52 0.00 0.00 52.55 52.39 1j5i s ASP 87 Cb 0.00 -2.53 0.04 0.00 -1.46 0.00 0.00 42.92 38.97 1j5i s ASP 87 CO 0.00 -2.90 2.67 0.00 0.52 0.00 0.00 175.17 175.45 1j5i h THR 89 N 1.66 0.27 0.08 0.00 2.02 -1.86 -3.35 112.91 111.71 1j5i h THR 89 Ca 0.30 -1.44 -0.30 0.00 0.77 0.00 0.00 66.41 65.74 1j5i h THR 89 Cb 0.93 1.90 -0.02 0.00 -1.74 0.00 0.00 68.15 69.22 1j5i h THR 89 CO 0.68 0.15 -1.63 0.74 0.37 0.00 0.00 175.52 175.83 1j5i h THR 90 N 0.00 0.80 -3.39 3.16 2.02 -2.00 -3.47 112.91 110.04 1j5i h THR 90 Ca -0.04 -2.29 -0.55 0.00 0.77 0.00 0.00 66.41 64.31 1j5i h THR 90 Cb 1.20 2.42 -0.04 0.00 -1.74 0.00 0.00 68.15 70.00 1j5i h THR 90 CO 0.02 0.64 0.01 0.00 0.37 0.00 0.00 175.52 176.57 1j5i s ALA 91 N -2.47 3.52 -0.98 6.16 0.00 -1.26 -5.01 121.76 121.72 1j5i s ALA 91 Ca -0.24 0.06 -0.17 0.00 0.00 0.00 0.00 51.96 51.60 1j5i s ALA 91 Cb 0.06 -2.69 0.15 0.00 0.00 0.00 0.00 23.12 20.65 1j5i s ALA 91 CO 0.70 0.38 1.15 0.00 0.00 0.00 0.00 175.76 178.00 1j5i s ALA 92 N -1.34 3.62 0.20 0.00 0.00 -1.26 -4.83 121.76 118.16 1j5i s ALA 92 Ca 0.36 -2.99 -0.30 0.00 0.00 0.00 0.00 51.96 49.03 1j5i s ALA 92 Cb -0.18 -3.99 -0.09 0.00 0.00 0.00 0.00 23.12 18.86 1j5i s ALA 92 CO 0.20 -2.84 1.38 0.00 0.00 0.00 0.00 175.76 174.50 1j5i s GLN 94 N -0.00 3.57 -0.15 0.00 -0.21 -0.50 -0.40 119.66 121.96 1j5i s GLN 94 Ca 0.59 -0.45 -0.22 0.00 0.02 0.00 0.00 55.36 55.30 1j5i s GLN 94 Cb -0.39 -3.80 -0.03 0.00 1.00 0.00 0.00 33.01 29.80 1j5i s GLN 94 CO 0.39 -0.49 0.65 0.08 -2.12 0.00 0.00 175.29 173.80 1j5i s VAL 95 N 1.94 5.03 -0.07 1.09 1.01 -0.39 -0.33 120.40 128.68 1j5i s VAL 95 Ca 0.10 1.27 -0.31 0.00 0.00 0.00 0.00 61.98 63.04 1j5i s VAL 95 Cb -0.17 -3.97 0.12 0.00 0.00 0.00 0.00 36.38 32.36 1j5i s VAL 95 CO 0.11 0.16 1.37 -0.83 0.00 0.00 0.00 175.10 175.91 1j5i s GLY 96 N 1.04 -0.34 -0.17 4.51 0.00 -1.26 -1.48 107.32 109.61 1j5i s GLY 96 Ca 0.31 0.53 -0.06 0.00 0.00 0.00 0.00 44.72 45.51 1j5i s GLY 96 CO 0.12 3.04 0.03 0.48 0.00 0.00 0.00 173.10 176.77 1j5i s LEU 97 N -3.41 3.60 0.33 0.66 2.34 -1.22 -0.13 118.68 120.85 1j5i s LEU 97 Ca 0.22 -0.00 0.07 0.00 0.06 0.00 0.00 54.13 54.48 1j5i s LEU 97 Cb 0.04 -1.90 -0.02 0.00 -0.56 0.00 0.00 46.19 43.75 1j5i s LEU 97 CO -0.04 0.17 0.33 -0.94 -1.06 0.00 0.00 176.35 174.81 1j5i s SER 98 N 0.40 5.45 0.48 1.48 1.04 0.13 -3.81 113.70 118.88 1j5i s SER 98 Ca 0.01 -0.42 -0.07 0.00 0.48 0.00 0.00 55.95 55.94 1j5i s SER 98 Cb -0.13 -1.04 -0.04 0.00 0.10 0.00 0.00 66.02 64.91 1j5i s SER 98 CO 0.01 -0.37 0.82 -1.81 0.98 0.00 0.00 173.24 172.87 1j5i s ASP 99 N -4.03 6.31 -0.04 7.02 -0.00 -1.26 0.20 116.67 124.87 1j5i s ASP 99 Ca 0.42 1.04 0.10 0.00 -0.00 0.00 0.00 52.55 54.10 1j5i s ASP 99 Cb -0.07 -2.29 0.35 0.00 -0.00 0.00 0.00 42.92 40.91 1j5i s ASP 99 CO 0.28 -0.58 1.22 0.00 -0.00 0.00 0.00 175.17 176.09 1j5i n ALA 100 N -2.13 2.67 -0.10 5.23 0.00 -1.26 -3.83 120.51 121.10 1j5i n ALA 100 Ca 0.02 -0.74 -0.19 0.00 0.00 0.00 0.00 53.44 52.53 1j5i n ALA 100 Cb 0.55 -1.00 -0.07 0.00 0.00 0.00 0.00 19.45 18.92 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 0.49 1.69 0.00 0.00 0.00 -1.26 -5.06 120.51 116.38 1j5i n ALA 101 Ca 0.13 -0.78 0.00 0.00 0.00 0.00 0.00 53.44 52.78 1j5i n ALA 101 Cb 0.44 0.20 0.00 0.00 0.00 0.00 0.00 19.45 20.09 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 2.00 0.89 3.53 0.00 0.00 -1.25 -5.15 105.19 105.20 1j5i n GLY 102 Ca -0.37 -0.13 -0.31 0.00 0.00 0.00 0.00 46.02 45.21 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 -0.03 4.18 -0.58 1.61 0.01 -1.26 -4.98 114.94 113.89 1j5i s ASN 103 Ca 0.00 -0.34 -0.09 0.00 -0.71 0.00 0.00 52.86 51.72 1j5i s ASN 103 Cb 0.00 -0.80 -0.18 0.00 0.41 0.00 0.00 41.25 40.68 1j5i s ASN 103 CO 0.00 0.24 1.35 0.61 -1.51 0.00 0.00 177.10 177.79 1j5i n GLY 104 N 1.34 -0.29 3.80 0.66 0.00 -1.26 -4.52 105.19 104.92 1j5i n GLY 104 Ca -0.15 0.20 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 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 4.44 3.71 0.23 1.61 0.04 -1.26 -4.99 135.00 138.77 1j5i s PRO 105 Ca 0.78 1.31 -0.09 0.00 0.04 0.00 0.00 61.00 63.04 1j5i s PRO 105 Cb -0.57 -2.08 -0.07 0.00 0.04 0.00 0.00 34.50 31.82 1j5i s PRO 105 CO 0.32 -0.50 0.54 -1.21 0.04 0.00 0.00 177.00 176.19 1j5i s GLU 106 N -3.44 3.78 -0.30 4.56 8.01 -1.25 -5.02 118.70 125.04 1j5i s GLU 106 Ca 0.66 0.23 -0.24 0.00 0.01 0.00 0.00 54.97 55.63 1j5i s GLU 106 Cb -0.16 -2.66 0.18 0.00 -4.31 0.00 0.00 34.13 27.18 1j5i s GLU 106 CO 0.24 0.32 1.35 0.20 0.01 0.00 0.00 175.26 177.38 1j5i s GLY 107 N -2.43 0.31 -0.25 -1.39 0.00 -1.26 -3.38 107.32 98.92 1j5i s GLY 107 Ca 0.47 3.43 -0.07 0.00 0.00 0.00 0.00 44.72 48.54 1j5i s GLY 107 CO 0.22 2.04 0.08 0.54 0.00 0.00 0.00 173.10 175.97 1j5i s VAL 108 N 0.20 4.39 -1.04 1.40 0.11 -0.55 -4.71 120.40 120.20 1j5i s VAL 108 Ca 0.05 -0.15 -0.26 0.00 -2.93 0.00 0.00 61.98 58.69 1j5i s VAL 108 Cb -0.05 -3.05 -0.19 0.00 -1.53 0.00 0.00 36.38 31.56 1j5i s VAL 108 CO -0.14 0.34 2.15 0.00 -3.33 0.00 0.00 175.10 174.12 1j5i s ALA 109 N 1.55 0.65 0.50 1.54 0.00 -1.26 -1.27 121.76 123.48 1j5i s ALA 109 Ca 0.06 -1.43 -0.09 0.00 0.00 0.00 0.00 51.96 50.51 1j5i s ALA 109 Cb -0.15 -4.68 -0.05 0.00 0.00 0.00 0.00 23.12 18.25 1j5i s ALA 109 CO 0.04 -6.57 0.85 -1.50 0.00 0.00 0.00 175.76 168.59 1j5i s ILE 110 N 15.98 4.81 0.00 0.00 2.07 0.46 -4.73 121.20 139.79 1j5i s ILE 110 Ca 0.82 0.54 0.00 0.00 -1.41 0.00 0.00 60.65 60.60 1j5i s ILE 110 Cb -0.06 -3.82 0.00 0.00 0.13 0.00 0.00 42.46 38.71 1j5i s ILE 110 CO 0.16 -0.83 0.00 -0.24 -1.91 0.00 0.00 174.94 172.12 1j5i n SER 111 N -2.09 0.00 -3.61 4.50 2.88 -0.75 -3.65 113.62 110.91 1j5i n SER 111 Ca 0.03 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.52 1j5i n SER 111 Cb 0.54 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.99 1j5i n SER 111 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 1j5i s PHE 112 N 0.00 -0.19 -1.64 0.66 5.36 -1.25 -1.43 117.98 119.49 1j5i s PHE 112 Ca 0.00 0.03 0.00 0.00 -0.96 0.00 0.00 56.93 56.00 1j5i s PHE 112 Cb 0.00 0.56 0.00 0.00 -0.34 0.00 0.00 43.02 43.24 1j5i s PHE 112 CO 0.00 -0.51 0.41 -1.71 -1.46 0.00 0.00 175.22 171.95