#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j5i h ALA 2 N 0.00 -0.07 -2.30 0.00 0.00 -1.91 -3.42 119.26 111.56 1j5i h ALA 2 Ca 0.00 -0.90 -0.55 0.00 0.00 0.00 0.00 54.91 53.46 1j5i h ALA 2 Cb 0.00 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1j5i h ALA 2 CO 0.00 0.70 0.74 -1.25 0.00 0.00 0.00 179.25 179.44 1j5i s PRO 3 N -2.56 4.33 0.22 0.00 0.04 -1.26 -0.51 135.00 135.27 1j5i s PRO 3 Ca -0.12 1.70 0.00 0.00 0.04 0.00 0.00 61.00 62.62 1j5i s PRO 3 Cb 0.04 -3.59 0.00 0.00 0.04 0.00 0.00 34.50 30.99 1j5i s PRO 3 CO 0.90 -0.49 0.00 0.25 0.04 0.00 0.00 177.00 177.70 1j5i n THR 4 N 4.72 0.00 -3.06 1.26 -2.24 -1.24 -4.67 114.28 109.05 1j5i n THR 4 Ca 0.11 0.10 -0.39 0.00 -2.27 0.00 0.00 64.05 61.60 1j5i n THR 4 Cb 0.46 -0.38 -0.05 0.00 -2.10 0.00 0.00 70.33 68.26 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 -2.23 3.41 0.03 6.98 0.00 -1.26 -3.45 121.76 125.24 1j5i s ALA 5 Ca 0.00 0.19 0.03 0.00 0.00 0.00 0.00 51.96 52.18 1j5i s ALA 5 Cb 0.00 -2.91 -0.02 0.00 0.00 0.00 0.00 23.12 20.19 1j5i s ALA 5 CO 0.00 0.09 -0.09 0.95 0.00 0.00 0.00 175.76 176.71 1j5i s THR 6 N -0.07 0.68 -0.07 0.00 -4.23 -0.62 -4.60 115.64 106.73 1j5i s THR 6 Ca 0.36 -0.87 -0.30 0.00 -1.18 0.00 0.00 61.69 59.70 1j5i s THR 6 Cb -0.20 -0.67 -0.04 0.00 1.34 0.00 0.00 72.50 72.93 1j5i s THR 6 CO 0.21 -0.17 1.42 -0.69 -0.54 0.00 0.00 174.62 174.85 1j5i s VAL 7 N -0.96 3.87 0.01 2.29 1.01 -1.26 -3.03 120.40 122.34 1j5i s VAL 7 Ca -0.04 1.15 -0.03 0.00 0.00 0.00 0.00 61.98 63.06 1j5i s VAL 7 Cb -0.08 -3.74 -0.01 0.00 0.00 0.00 0.00 36.38 32.56 1j5i s VAL 7 CO 0.01 -0.06 0.76 0.41 0.00 0.00 0.00 175.10 176.22 1j5i n THR 8 N 5.09 -0.06 0.00 3.92 -1.04 -0.84 -4.48 114.28 116.87 1j5i n THR 8 Ca 0.14 1.16 0.00 0.00 -2.04 0.00 0.00 64.05 63.31 1j5i n THR 8 Cb 0.44 -1.52 0.00 0.00 -1.82 0.00 0.00 70.33 67.43 1j5i n THR 8 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1j5i n PRO 9 N -2.97 2.35 -0.06 -2.82 -0.04 -1.26 -5.00 135.00 125.20 1j5i n PRO 9 Ca 0.00 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.43 1j5i n PRO 9 Cb 0.02 0.00 -0.15 0.00 -0.04 0.00 0.00 33.50 33.33 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 0.00 0.12 -1.21 3.54 3.41 -1.26 -4.96 113.62 113.27 1j5i n SER 10 Ca 0.00 0.06 0.13 0.00 -0.26 0.00 0.00 58.87 58.80 1j5i n SER 10 Cb 0.00 1.13 -0.06 0.00 -0.26 0.00 0.00 64.21 65.02 1j5i n SER 10 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1j5i n SER 11 N -2.65 -6.03 0.00 4.04 7.64 -1.26 -1.69 113.62 113.67 1j5i n SER 11 Ca -0.22 0.97 0.00 0.00 1.01 0.00 0.00 58.87 60.63 1j5i n SER 11 Cb 0.97 -4.02 0.00 0.00 -1.01 0.00 0.00 64.21 60.14 1j5i n SER 11 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1j5i n GLY 12 N -3.90 1.70 0.32 0.23 0.00 -1.24 0.20 105.19 102.50 1j5i n GLY 12 Ca -0.06 -0.27 0.20 0.00 0.00 0.00 0.00 46.02 45.90 1j5i n GLY 12 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 1j5i h LEU 13 N 0.00 0.00 -6.74 0.99 8.10 0.09 -3.38 115.31 114.36 1j5i h LEU 13 Ca 0.00 0.00 -0.27 0.00 0.11 0.00 0.00 57.88 57.72 1j5i h LEU 13 Cb 0.00 0.00 -0.34 0.00 -0.44 0.00 0.00 40.66 39.88 1j5i h LEU 13 CO 0.00 0.01 -0.58 -0.55 -4.11 0.00 0.00 178.44 173.21 1j5i s SER 14 N -5.41 1.00 -0.28 0.17 0.15 -1.26 -5.02 113.70 103.05 1j5i s SER 14 Ca -0.03 -0.03 -0.04 0.00 0.70 0.00 0.00 55.95 56.55 1j5i s SER 14 Cb 0.12 0.59 -0.10 0.00 -1.71 0.00 0.00 66.02 64.93 1j5i s SER 14 CO 0.46 -0.31 1.96 -0.90 1.20 0.00 0.00 173.24 175.65 1j5i n ASP 15 N 5.33 3.08 -0.34 5.45 3.85 -1.24 -1.74 116.55 130.94 1j5i n ASP 15 Ca -0.05 -2.07 -0.01 0.00 -0.71 0.00 0.00 54.79 51.95 1j5i n ASP 15 Cb 0.50 -0.79 -0.01 0.00 -1.35 0.00 0.00 41.12 39.47 1j5i n ASP 15 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1j5i n GLY 16 N 3.14 0.03 3.47 6.12 0.00 -0.50 -4.52 105.19 112.94 1j5i n GLY 16 Ca 0.26 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.85 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 4.73 -0.29 2.61 2.01 -0.71 -4.85 115.64 119.14 1j5i s THR 17 Ca 0.00 -0.23 -0.14 0.00 0.31 0.00 0.00 61.69 61.64 1j5i s THR 17 Cb 0.00 -4.36 -0.03 0.00 0.01 0.00 0.00 72.50 68.11 1j5i s THR 17 CO 0.00 -0.88 0.31 0.54 -0.69 0.00 0.00 174.62 173.90 1j5i s VAL 18 N 3.03 5.21 0.00 3.82 0.11 -1.26 -0.21 120.40 131.10 1j5i s VAL 18 Ca 0.20 0.29 0.00 0.00 -2.93 0.00 0.00 61.98 59.55 1j5i s VAL 18 Cb -0.17 -3.68 0.00 0.00 -1.53 0.00 0.00 36.38 31.00 1j5i s VAL 18 CO 0.14 0.11 0.00 1.33 -3.33 0.00 0.00 175.10 173.36 1j5i n VAL 19 N 5.13 0.00 -4.92 2.04 0.24 -0.59 -4.97 118.33 115.26 1j5i n VAL 19 Ca -0.10 0.00 -0.27 0.00 -2.04 0.00 0.00 64.34 61.92 1j5i n VAL 19 Cb 0.51 0.00 -0.15 0.00 -1.47 0.00 0.00 33.84 32.73 1j5i n VAL 19 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1j5i s LYS 20 N 0.38 1.65 -0.71 7.34 2.20 -1.26 -1.77 119.74 127.57 1j5i s LYS 20 Ca 0.00 -0.87 -0.02 0.00 -0.36 0.00 0.00 55.97 54.71 1j5i s LYS 20 Cb 0.00 -1.68 0.18 0.00 -1.51 0.00 0.00 37.83 34.82 1j5i s LYS 20 CO 0.00 0.45 0.55 0.08 -0.36 0.00 0.00 175.35 176.07 1j5i s VAL 21 N -0.64 3.89 0.08 4.02 1.01 0.31 -1.98 120.40 127.10 1j5i s VAL 21 Ca 0.09 -3.31 -0.21 0.00 0.00 0.00 0.00 61.98 58.55 1j5i s VAL 21 Cb -0.09 -3.50 -0.07 0.00 0.00 0.00 0.00 36.38 32.73 1j5i s VAL 21 CO 0.00 -0.95 0.63 0.00 0.00 0.00 0.00 175.10 174.78 1j5i s ALA 22 N -0.53 3.53 -0.07 5.51 0.00 -1.17 -1.02 121.76 128.01 1j5i s ALA 22 Ca 0.21 0.12 -0.10 0.00 0.00 0.00 0.00 51.96 52.19 1j5i s ALA 22 Cb -0.15 -2.74 0.02 0.00 0.00 0.00 0.00 23.12 20.24 1j5i s ALA 22 CO -0.07 0.32 0.26 0.20 0.00 0.00 0.00 175.76 176.47 1j5i s GLY 23 N -0.93 -0.16 -0.30 0.00 0.00 0.10 -1.58 107.32 104.45 1j5i s GLY 23 Ca 0.31 0.54 0.02 0.00 0.00 0.00 0.00 44.72 45.60 1j5i s GLY 23 CO 0.21 0.41 0.02 0.00 0.00 0.00 0.00 173.10 173.74 1j5i s ALA 24 N -0.36 2.36 0.00 3.20 0.00 0.34 0.77 121.76 128.06 1j5i s ALA 24 Ca -0.05 -2.01 0.00 0.00 0.00 0.00 0.00 51.96 49.90 1j5i s ALA 24 Cb -0.03 -1.74 0.00 0.00 0.00 0.00 0.00 23.12 21.35 1j5i s ALA 24 CO 0.01 -1.53 0.00 0.41 0.00 0.00 0.00 175.76 174.66 1j5i n GLY 25 N 4.49 0.35 0.00 0.00 0.00 0.44 -3.65 105.19 106.83 1j5i n GLY 25 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -4.52 0.99 7.94 -0.64 -4.68 117.00 116.09 1j5i n LEU 26 Ca 0.00 0.00 -0.18 0.00 -1.11 0.00 0.00 56.01 54.72 1j5i n LEU 26 Cb 0.00 0.00 -0.16 0.00 0.53 0.00 0.00 43.42 43.79 1j5i n LEU 26 CO 0.00 0.00 1.73 0.00 -1.11 0.00 0.00 177.39 178.01 1j5i n GLN 27 N 0.00 0.23 -1.56 1.96 3.00 -1.26 -4.64 117.38 115.11 1j5i n GLN 27 Ca 0.00 -0.35 -0.13 0.00 -0.01 0.00 0.00 57.00 56.50 1j5i n GLN 27 Cb 0.00 -2.11 -0.10 0.00 0.00 0.00 0.00 30.24 28.03 1j5i n GLN 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1j5i n ALA 28 N 10.96 0.25 -1.28 -1.58 0.00 -1.26 -1.76 120.51 125.85 1j5i n ALA 28 Ca 0.59 -1.88 -0.10 0.00 0.00 0.00 0.00 53.44 52.06 1j5i n ALA 28 Cb 0.26 -3.28 -0.04 0.00 0.00 0.00 0.00 19.45 16.39 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 6.38 1.12 3.24 0.00 0.00 -1.00 -4.80 105.19 110.12 1j5i n GLY 29 Ca 0.43 -0.53 -0.20 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.69 0.00 -3.43 2.61 -1.04 -0.72 -4.82 114.28 104.19 1j5i n THR 30 Ca -0.10 -1.29 -0.19 0.00 -2.04 0.00 0.00 64.05 60.44 1j5i n THR 30 Cb 0.33 -1.01 -0.11 0.00 -1.82 0.00 0.00 70.33 67.73 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 -3.16 -0.27 0.43 2.41 0.00 -1.26 -1.77 121.76 118.14 1j5i s ALA 31 Ca 0.56 -0.40 0.07 0.00 0.00 0.00 0.00 51.96 52.18 1j5i s ALA 31 Cb -0.03 -1.70 -0.05 0.00 0.00 0.00 0.00 23.12 21.34 1j5i s ALA 31 CO 0.37 -1.67 0.11 0.71 0.00 0.00 0.00 175.76 175.29 1j5i s TYR 32 N 2.32 2.46 -0.27 0.00 2.02 -0.08 -4.49 117.35 119.31 1j5i s TYR 32 Ca 0.09 -0.67 -0.20 0.00 -0.37 0.00 0.00 57.07 55.93 1j5i s TYR 32 Cb -0.14 -1.86 -0.02 0.00 -0.40 0.00 0.00 41.96 39.54 1j5i s TYR 32 CO -0.32 0.25 0.59 -0.51 -1.57 0.00 0.00 175.55 173.99 1j5i s ASP 33 N -3.85 6.52 0.30 2.29 1.11 -0.08 -0.61 116.67 122.35 1j5i s ASP 33 Ca 0.35 0.60 -0.26 0.00 0.18 0.00 0.00 52.55 53.41 1j5i s ASP 33 Cb 0.06 -2.32 -0.10 0.00 1.07 0.00 0.00 42.92 41.63 1j5i s ASP 33 CO 0.19 -0.36 0.92 0.54 1.18 0.00 0.00 175.17 177.64 1j5i s VAL 34 N 2.46 4.22 0.00 -1.27 0.11 -0.15 -0.82 120.40 124.95 1j5i s VAL 34 Ca 0.24 1.83 0.00 0.00 -2.93 0.00 0.00 61.98 61.12 1j5i s VAL 34 Cb -0.15 -4.05 0.00 0.00 -1.53 0.00 0.00 36.38 30.64 1j5i s VAL 34 CO 0.09 0.21 0.00 0.61 -3.33 0.00 0.00 175.10 172.68 1j5i n GLY 35 N 0.74 1.94 3.40 6.54 0.00 0.43 -0.34 105.19 117.91 1j5i n GLY 35 Ca 0.01 -0.67 -0.45 0.00 0.00 0.00 0.00 46.02 44.91 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 3.53 0.27 1.61 1.11 -1.25 -1.29 119.66 121.64 1j5i s GLN 36 Ca 0.00 -1.92 0.07 0.00 0.01 0.00 0.00 55.36 53.52 1j5i s GLN 36 Cb 0.00 -4.67 -0.03 0.00 -1.01 0.00 0.00 33.01 27.29 1j5i s GLN 36 CO 0.00 -1.59 0.21 0.00 0.01 0.00 0.00 175.29 173.92 1j5i n ALA 38 N -1.21 0.00 -1.88 0.00 0.00 -0.01 -1.27 120.51 116.14 1j5i n ALA 38 Ca -0.06 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 52.98 1j5i n ALA 38 Cb 0.58 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.00 1j5i n ALA 38 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1j5i s TRP 39 N -2.00 1.51 -0.18 0.00 0.51 -1.26 -1.36 118.94 116.17 1j5i s TRP 39 Ca 0.00 0.94 -0.17 0.00 -2.12 0.00 0.00 56.10 54.74 1j5i s TRP 39 Cb 0.00 -3.96 -0.14 0.00 -0.81 0.00 0.00 33.47 28.56 1j5i s TRP 39 CO 0.00 -2.61 0.12 -0.39 -0.51 0.00 0.00 176.95 173.56 1j5i h VAL 40 N 7.09 0.66 -2.43 4.03 -1.51 -1.44 -3.44 116.25 119.21 1j5i h VAL 40 Ca -0.28 -1.78 0.00 0.00 -1.23 0.00 0.00 66.70 63.41 1j5i h VAL 40 Cb 1.19 1.53 0.00 0.00 -2.13 0.00 0.00 31.29 31.89 1j5i h VAL 40 CO 1.15 0.22 0.00 -0.67 -1.23 0.00 0.00 177.57 177.04 1j5i n ASP 41 N -4.52 0.00 -4.56 4.19 4.64 -1.14 -4.85 116.55 110.32 1j5i n ASP 41 Ca -0.22 -0.57 -0.26 0.00 -1.38 0.00 0.00 54.79 52.36 1j5i n ASP 41 Cb 0.51 0.00 -0.05 0.00 -1.04 0.00 0.00 41.12 40.54 1j5i n ASP 41 CO 0.00 0.00 0.00 -0.89 -0.82 0.00 0.00 177.20 175.49 1j5i s THR 42 N 0.29 3.36 -0.96 5.18 2.01 -1.26 -2.86 115.64 121.40 1j5i s THR 42 Ca 0.00 -0.24 0.00 0.00 0.31 0.00 0.00 61.69 61.76 1j5i s THR 42 Cb 0.00 -3.83 0.00 0.00 0.01 0.00 0.00 72.50 68.68 1j5i s THR 42 CO 0.00 -0.78 0.00 0.61 -0.69 0.00 0.00 174.62 173.76 1j5i n GLY 43 N 6.68 0.97 3.45 4.40 0.00 -1.26 -4.94 105.19 114.49 1j5i n GLY 43 Ca 0.39 -0.17 -0.43 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.02 5.10 -0.62 1.61 1.01 -1.14 -5.01 120.40 119.33 1j5i s VAL 44 Ca 0.00 -0.59 -0.27 0.00 0.00 0.00 0.00 61.98 61.12 1j5i s VAL 44 Cb 0.00 -4.10 0.00 0.00 0.00 0.00 0.00 36.38 32.28 1j5i s VAL 44 CO 0.00 -0.52 1.56 -0.22 0.00 0.00 0.00 175.10 175.92 1j5i s LEU 45 N 2.05 3.29 0.37 3.92 0.20 -1.26 -1.29 118.68 125.97 1j5i s LEU 45 Ca 0.10 0.13 0.08 0.00 0.69 0.00 0.00 54.13 55.13 1j5i s LEU 45 Cb -0.19 -2.73 -0.07 0.00 -0.43 0.00 0.00 46.19 42.77 1j5i s LEU 45 CO 0.11 -2.00 -0.03 0.00 -0.29 0.00 0.00 176.35 174.14 1j5i s ALA 46 N 7.15 3.11 0.03 5.97 0.00 -0.46 -2.88 121.76 134.67 1j5i s ALA 46 Ca 0.54 -2.17 0.04 0.00 0.00 0.00 0.00 51.96 50.38 1j5i s ALA 46 Cb -0.11 -0.02 -0.02 0.00 0.00 0.00 0.00 23.12 22.97 1j5i s ALA 46 CO 0.21 -0.02 -0.13 0.00 0.00 0.00 0.00 175.76 175.82 1j5i s ASN 48 N -0.94 1.88 0.08 0.00 0.02 -1.17 -1.23 114.94 113.58 1j5i s ASN 48 Ca 0.02 1.31 0.23 0.00 -1.02 0.00 0.00 52.86 53.39 1j5i s ASN 48 Cb -0.07 -2.02 0.92 0.00 0.02 0.00 0.00 41.25 40.10 1j5i s ASN 48 CO 0.01 -3.61 1.72 -0.81 0.02 0.00 0.00 177.10 174.42 1j5i n PRO 49 N -4.51 0.08 -0.50 -0.60 -0.04 -1.26 -2.16 135.00 126.02 1j5i n PRO 49 Ca 0.04 0.19 0.08 0.00 -0.04 0.00 0.00 63.50 63.77 1j5i n PRO 49 Cb 0.56 -1.62 0.28 0.00 -0.04 0.00 0.00 33.50 32.69 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 -1.60 2.96 1.04 0.55 0.00 -1.26 -4.30 120.51 117.89 1j5i n ALA 50 Ca 0.05 -1.81 0.07 0.00 0.00 0.00 0.00 53.44 51.75 1j5i n ALA 50 Cb 0.28 -0.79 0.22 0.00 0.00 0.00 0.00 19.45 19.16 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 0.33 1.73 -4.16 0.00 2.03 -0.92 -4.53 116.55 111.03 1j5i n ASP 51 Ca 0.21 -1.90 -0.40 0.00 0.52 0.00 0.00 54.79 53.23 1j5i n ASP 51 Cb 0.83 -0.19 -0.07 0.00 -0.72 0.00 0.00 41.12 40.97 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 -1.63 3.51 -0.43 -0.67 0.08 -1.20 -3.08 117.98 114.57 1j5i s PHE 52 Ca 0.26 -2.50 0.05 0.00 0.12 0.00 0.00 56.93 54.86 1j5i s PHE 52 Cb 0.13 -3.38 0.17 0.00 -0.57 0.00 0.00 43.02 39.37 1j5i s PHE 52 CO 0.19 -0.89 0.50 0.45 -0.10 0.00 0.00 175.22 175.37 1j5i s SER 53 N 1.14 0.16 0.61 1.36 0.15 0.54 -4.97 113.70 112.70 1j5i s SER 53 Ca 0.17 -1.86 -0.17 0.00 0.70 0.00 0.00 55.95 54.79 1j5i s SER 53 Cb -0.17 0.88 -0.15 0.00 -1.71 0.00 0.00 66.02 64.87 1j5i s SER 53 CO -0.05 -0.17 -0.28 -0.24 1.20 0.00 0.00 173.24 173.70 1j5i n SER 54 N 3.59 -4.15 -3.60 5.45 2.88 -1.26 -0.98 113.62 115.56 1j5i n SER 54 Ca 0.17 0.53 -0.10 0.00 -1.33 0.00 0.00 58.87 58.14 1j5i n SER 54 Cb 0.50 -0.81 -0.06 0.00 -0.75 0.00 0.00 64.21 63.10 1j5i n SER 54 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1j5i s VAL 55 N -1.95 0.00 0.08 2.46 0.11 0.22 -4.58 120.40 116.74 1j5i s VAL 55 Ca 0.52 0.00 0.05 0.00 -2.93 0.00 0.00 61.98 59.62 1j5i s VAL 55 Cb -0.41 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.41 1j5i s VAL 55 CO 0.69 0.00 -0.14 -0.89 -3.33 0.00 0.00 175.10 171.42 1j5i s THR 56 N -0.63 1.15 0.18 5.04 2.01 -1.26 -0.91 115.64 121.22 1j5i s THR 56 Ca -0.00 -1.36 0.07 0.00 0.31 0.00 0.00 61.69 60.71 1j5i s THR 56 Cb -0.02 -1.14 -0.04 0.00 0.01 0.00 0.00 72.50 71.31 1j5i s THR 56 CO -0.01 -0.25 0.07 0.00 -0.69 0.00 0.00 174.62 173.74 1j5i s ALA 57 N -1.38 3.36 0.59 7.40 0.00 -0.73 -4.40 121.76 126.61 1j5i s ALA 57 Ca -0.01 -1.34 -0.14 0.00 0.00 0.00 0.00 51.96 50.47 1j5i s ALA 57 Cb -0.09 -1.14 -0.04 0.00 0.00 0.00 0.00 23.12 21.85 1j5i s ALA 57 CO 0.02 0.45 1.03 -0.51 0.00 0.00 0.00 175.76 176.76 1j5i s ASP 58 N -3.13 6.09 0.59 0.00 -0.00 -0.08 -2.82 116.67 117.32 1j5i s ASP 58 Ca 0.29 1.62 0.34 0.00 -0.00 0.00 0.00 52.55 54.80 1j5i s ASP 58 Cb -0.09 -2.51 1.27 0.00 -0.00 0.00 0.00 42.92 41.59 1j5i s ASP 58 CO 0.21 -0.96 1.51 0.00 -0.00 0.00 0.00 175.17 175.93 1j5i h ALA 59 N 0.26 3.09 -0.36 5.23 0.00 -1.87 2.20 119.26 127.81 1j5i h ALA 59 Ca -0.46 -0.04 -0.21 0.00 0.00 0.00 0.00 54.91 54.20 1j5i h ALA 59 Cb 1.20 0.09 -0.11 0.00 0.00 0.00 0.00 17.79 18.97 1j5i h ALA 59 CO 0.60 -1.74 0.27 -1.71 0.00 0.00 0.00 179.25 176.66 1j5i n ASN 60 N -3.57 4.32 -3.54 0.00 2.85 -1.26 -4.37 115.26 109.69 1j5i n ASN 60 Ca 0.26 -2.70 -0.24 0.00 -0.11 0.00 0.00 54.58 51.80 1j5i n ASN 60 Cb 1.49 -0.79 -0.03 0.00 1.24 0.00 0.00 39.78 41.70 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 0.16 -0.46 3.44 8.20 0.00 0.74 -3.95 105.19 113.32 1j5i n GLY 61 Ca 0.22 0.06 -0.44 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.73 6.42 -0.56 1.61 0.01 -0.93 0.17 113.70 117.69 1j5i s SER 62 Ca 0.45 -1.63 -0.18 0.00 1.31 0.00 0.00 55.95 55.91 1j5i s SER 62 Cb -0.25 -2.39 0.11 0.00 0.21 0.00 0.00 66.02 63.70 1j5i s SER 62 CO 0.55 -1.18 0.60 0.00 0.41 0.00 0.00 173.24 173.62 1j5i s ALA 63 N 3.08 3.52 -0.93 1.44 0.00 0.23 -0.90 121.76 128.19 1j5i s ALA 63 Ca 0.26 -2.32 -0.04 0.00 0.00 0.00 0.00 51.96 49.85 1j5i s ALA 63 Cb -0.12 -3.39 0.23 0.00 0.00 0.00 0.00 23.12 19.84 1j5i s ALA 63 CO -0.01 -2.17 0.84 -1.54 0.00 0.00 0.00 175.76 172.89 1j5i s SER 64 N 3.51 6.30 -0.27 0.00 1.04 -1.25 0.03 113.70 123.06 1j5i s SER 64 Ca 0.08 -3.61 -0.09 0.00 0.48 0.00 0.00 55.95 52.81 1j5i s SER 64 Cb -0.26 -1.99 -0.03 0.00 0.10 0.00 0.00 66.02 63.85 1j5i s SER 64 CO 0.05 -0.23 0.11 0.28 0.98 0.00 0.00 173.24 174.43 1j5i s THR 65 N -1.21 4.54 -0.05 2.02 -1.32 -0.19 -4.86 115.64 114.57 1j5i s THR 65 Ca 0.27 -0.20 0.02 0.00 -1.21 0.00 0.00 61.69 60.57 1j5i s THR 65 Cb -0.09 -3.19 -0.03 0.00 -1.51 0.00 0.00 72.50 67.68 1j5i s THR 65 CO -0.11 0.24 -0.07 -0.94 -2.21 0.00 0.00 174.62 171.54 1j5i s SER 66 N 1.63 4.63 0.09 8.08 1.04 -1.26 0.12 113.70 128.03 1j5i s SER 66 Ca 0.06 -0.06 -0.12 0.00 0.48 0.00 0.00 55.95 56.32 1j5i s SER 66 Cb -0.16 -1.14 0.04 0.00 0.10 0.00 0.00 66.02 64.86 1j5i s SER 66 CO 0.05 0.34 0.56 -0.11 0.98 0.00 0.00 173.24 175.06 1j5i n LEU 67 N 2.04 0.00 -4.62 2.42 7.94 -0.73 -4.95 117.00 119.10 1j5i n LEU 67 Ca -0.17 -0.76 -0.34 0.00 -1.11 0.00 0.00 56.01 53.63 1j5i n LEU 67 Cb 0.53 1.48 -0.10 0.00 0.53 0.00 0.00 43.42 45.85 1j5i n LEU 67 CO 0.28 -0.25 -0.32 0.28 -1.11 0.00 0.00 177.39 176.27 1j5i s THR 68 N -2.29 4.19 -0.78 1.96 -1.32 -1.26 -1.54 115.64 114.61 1j5i s THR 68 Ca 0.12 -0.28 -0.20 0.00 -1.21 0.00 0.00 61.69 60.12 1j5i s THR 68 Cb -0.01 -2.79 0.10 0.00 -1.51 0.00 0.00 72.50 68.29 1j5i s THR 68 CO 0.03 0.56 1.01 0.54 -2.21 0.00 0.00 174.62 174.55 1j5i s VAL 69 N -0.43 4.56 -1.17 5.08 0.11 0.70 -4.90 120.40 124.36 1j5i s VAL 69 Ca 0.08 -0.99 -0.05 0.00 -2.93 0.00 0.00 61.98 58.08 1j5i s VAL 69 Cb -0.12 -4.71 0.24 0.00 -1.53 0.00 0.00 36.38 30.27 1j5i s VAL 69 CO 0.02 -1.44 1.78 0.54 -3.33 0.00 0.00 175.10 172.67 1j5i n ARG 70 N 7.02 4.40 -0.19 1.54 1.74 -1.26 -1.40 116.66 128.50 1j5i n ARG 70 Ca 0.08 -4.12 0.18 0.00 -0.77 0.00 0.00 57.85 53.23 1j5i n ARG 70 Cb 0.47 -2.64 0.32 0.00 -1.02 0.00 0.00 32.46 29.59 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 1.91 -0.03 -3.60 5.56 0.63 -1.26 -3.77 116.66 116.10 1j5i n ARG 71 Ca 0.38 0.70 -0.37 0.00 -0.92 0.00 0.00 57.85 57.64 1j5i n ARG 71 Cb 0.32 -1.29 -0.07 0.00 0.45 0.00 0.00 32.46 31.87 1j5i n ARG 71 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1j5i s SER 72 N -4.64 6.50 0.00 6.15 0.15 -1.26 -1.54 113.70 119.06 1j5i s SER 72 Ca -0.04 0.59 0.00 0.00 0.70 0.00 0.00 55.95 57.20 1j5i s SER 72 Cb 0.17 -2.17 0.00 0.00 -1.71 0.00 0.00 66.02 62.31 1j5i s SER 72 CO 0.41 0.21 0.00 2.22 1.20 0.00 0.00 173.24 177.28 1j5i n PHE 73 N 2.89 0.00 -2.88 3.44 1.16 -0.65 -4.96 117.46 116.47 1j5i n PHE 73 Ca -0.14 0.00 -0.43 0.00 -1.87 0.00 0.00 57.45 55.01 1j5i n PHE 73 Cb 0.53 0.00 -0.04 0.00 -1.61 0.00 0.00 39.48 38.35 1j5i n PHE 73 CO 0.00 0.00 0.00 -2.00 -1.87 0.00 0.00 176.76 172.89 1j5i s GLU 74 N -0.10 3.30 0.00 3.97 2.12 -1.25 -0.03 118.70 126.71 1j5i s GLU 74 Ca 0.00 -0.35 0.00 0.00 0.36 0.00 0.00 54.97 54.98 1j5i s GLU 74 Cb 0.00 -4.06 0.00 0.00 0.26 0.00 0.00 34.13 30.33 1j5i s GLU 74 CO 0.00 -1.46 0.00 0.41 -0.54 0.00 0.00 175.26 173.67 1j5i n GLY 75 N 5.13 1.75 3.13 -1.50 0.00 1.15 -4.32 105.19 110.54 1j5i n GLY 75 Ca 0.01 -1.77 -0.18 0.00 0.00 0.00 0.00 46.02 44.08 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 3.24 1.07 0.66 1.61 0.40 -0.36 0.19 117.98 124.79 1j5i s PHE 76 Ca 0.00 -0.42 0.00 0.00 -0.60 0.00 0.00 56.93 55.91 1j5i s PHE 76 Cb 0.00 -0.62 0.09 0.00 0.51 0.00 0.00 43.02 43.00 1j5i s PHE 76 CO 0.00 0.02 0.92 -0.51 0.70 0.00 0.00 175.22 176.34 1j5i s LEU 77 N -1.48 3.07 0.44 -0.37 1.43 -0.07 -1.30 118.68 120.40 1j5i s LEU 77 Ca -0.03 -0.23 0.16 0.00 -1.03 0.00 0.00 54.13 53.00 1j5i s LEU 77 Cb -0.09 -2.31 1.00 0.00 0.03 0.00 0.00 46.19 44.81 1j5i s LEU 77 CO 0.02 -1.60 1.96 2.19 0.23 0.00 0.00 176.35 179.15 1j5i h PHE 78 N -0.31 0.00 -0.44 0.29 -0.00 -1.86 -2.41 116.94 112.20 1j5i h PHE 78 Ca -0.38 0.00 -0.06 0.00 -0.00 0.00 0.00 57.97 57.53 1j5i h PHE 78 Cb 1.28 0.00 -0.02 0.00 -0.00 0.00 0.00 35.95 37.21 1j5i h PHE 78 CO 0.04 0.22 0.05 0.22 -0.00 0.00 0.00 178.31 178.84 1j5i h ASP 79 N 0.00 0.73 0.00 -0.68 3.58 -1.94 -3.47 116.42 114.64 1j5i h ASP 79 Ca -0.00 -0.28 0.00 0.00 0.42 0.00 0.00 57.03 57.17 1j5i h ASP 79 Cb 0.41 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 41.27 1j5i h ASP 79 CO 0.03 0.82 0.00 0.61 -2.88 0.00 0.00 179.24 177.82 1j5i n GLY 80 N -0.46 0.15 3.68 -0.78 0.00 -0.91 -5.14 105.19 101.73 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 -0.52 2.51 -1.02 2.61 2.01 -1.26 -4.72 115.64 115.25 1j5i s THR 81 Ca 0.00 0.17 -0.04 0.00 0.31 0.00 0.00 61.69 62.13 1j5i s THR 81 Cb 0.00 -2.45 0.29 0.00 0.01 0.00 0.00 72.50 70.35 1j5i s THR 81 CO 0.00 -0.22 1.23 -1.14 -0.69 0.00 0.00 174.62 173.81 1j5i n ARG 82 N -4.09 3.83 0.00 4.92 0.63 -1.26 -0.89 116.66 119.79 1j5i n ARG 82 Ca 0.08 -4.54 0.00 0.00 -0.92 0.00 0.00 57.85 52.47 1j5i n ARG 82 Cb 0.54 -2.48 0.00 0.00 0.45 0.00 0.00 32.46 30.97 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 1.69 0.00 -2.87 -0.14 -0.00 0.50 -4.65 117.44 111.96 1j5i n TRP 83 Ca 0.25 0.00 -0.04 0.00 -0.00 0.00 0.00 57.50 57.71 1j5i n TRP 83 Cb 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.67 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 3.56 -2.71 5.35 5.87 0.00 -1.09 0.37 105.19 116.54 1j5i n GLY 84 Ca 0.00 0.63 0.00 0.00 0.00 0.00 0.00 46.02 46.65 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 0.51 0.00 0.00 2.61 -1.04 -1.26 -1.39 114.28 113.71 1j5i n THR 85 Ca 0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.03 1j5i n THR 85 Cb 0.22 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.73 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 -2.93 12.58 0.31 0.96 -4.66 118.33 124.59 1j5i n VAL 86 Ca 0.00 0.00 -0.07 0.00 -0.01 0.00 0.00 64.34 64.26 1j5i n VAL 86 Cb 0.00 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 32.92 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 0.00 -0.93 -0.67 4.52 -1.08 -1.26 -1.63 116.67 115.62 1j5i s ASP 87 Ca 0.00 -1.82 -0.05 0.00 -0.52 0.00 0.00 52.55 50.16 1j5i s ASP 87 Cb 0.00 1.51 -0.05 0.00 -1.46 0.00 0.00 42.92 42.92 1j5i s ASP 87 CO 0.00 -0.09 1.82 0.00 0.52 0.00 0.00 175.17 177.42 1j5i n THR 89 N 4.51 0.00 0.00 0.00 5.66 -1.26 -4.60 114.28 118.60 1j5i n THR 89 Ca 0.34 -0.03 0.00 0.00 -3.05 0.00 0.00 64.05 61.31 1j5i n THR 89 Cb 0.11 0.13 0.00 0.00 -1.55 0.00 0.00 70.33 69.02 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 -1.30 0.00 -1.75 1.09 -1.04 -1.26 -5.11 114.28 104.91 1j5i n THR 90 Ca 0.08 0.00 -0.40 0.00 -2.04 0.00 0.00 64.05 61.69 1j5i n THR 90 Cb 0.33 -0.09 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 n ALA 91 N -1.88 1.83 -2.53 2.41 0.00 -1.26 -4.94 120.51 114.14 1j5i n ALA 91 Ca 0.00 0.22 -0.42 0.00 0.00 0.00 0.00 53.44 53.24 1j5i n ALA 91 Cb 0.00 -2.37 -0.07 0.00 0.00 0.00 0.00 19.45 17.01 1j5i n ALA 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j5i s ALA 92 N -1.22 3.39 -0.15 0.00 0.00 -1.26 -4.80 121.76 117.73 1j5i s ALA 92 Ca 0.63 -1.13 -0.18 0.00 0.00 0.00 0.00 51.96 51.29 1j5i s ALA 92 Cb -0.45 -3.22 -0.04 0.00 0.00 0.00 0.00 23.12 19.41 1j5i s ALA 92 CO 0.56 -1.61 0.48 0.00 0.00 0.00 0.00 175.76 175.19 1j5i s GLN 94 N 0.93 3.27 -0.59 0.00 -0.21 -0.40 -1.45 119.66 121.21 1j5i s GLN 94 Ca 0.25 -0.55 -0.22 0.00 0.02 0.00 0.00 55.36 54.85 1j5i s GLN 94 Cb -0.15 -3.92 0.06 0.00 1.00 0.00 0.00 33.01 30.00 1j5i s GLN 94 CO 0.10 -0.81 0.89 0.08 -2.12 0.00 0.00 175.29 173.43 1j5i s VAL 95 N 2.28 4.45 0.35 1.09 1.01 -0.32 -0.29 120.40 128.97 1j5i s VAL 95 Ca 0.15 -0.16 -0.14 0.00 0.00 0.00 0.00 61.98 61.83 1j5i s VAL 95 Cb -0.16 -4.56 0.04 0.00 0.00 0.00 0.00 36.38 31.69 1j5i s VAL 95 CO 0.14 -1.21 0.70 -0.83 0.00 0.00 0.00 175.10 173.90 1j5i s GLY 96 N 3.20 0.48 -0.21 4.51 0.00 -0.41 -1.35 107.32 113.54 1j5i s GLY 96 Ca 0.24 -0.80 -0.05 0.00 0.00 0.00 0.00 44.72 44.10 1j5i s GLY 96 CO 0.14 -0.40 0.00 0.48 0.00 0.00 0.00 173.10 173.32 1j5i s LEU 97 N -3.07 3.23 0.05 0.66 2.34 -1.26 -0.43 118.68 120.20 1j5i s LEU 97 Ca 0.18 -0.23 0.01 0.00 0.06 0.00 0.00 54.13 54.15 1j5i s LEU 97 Cb -0.04 -1.83 -0.04 0.00 -0.56 0.00 0.00 46.19 43.72 1j5i s LEU 97 CO 0.12 0.04 0.11 -0.44 -1.06 0.00 0.00 176.35 175.12 1j5i s SER 98 N 1.15 5.80 1.00 1.48 0.01 0.00 -4.70 113.70 118.44 1j5i s SER 98 Ca 0.03 0.11 -0.18 0.00 1.31 0.00 0.00 55.95 57.22 1j5i s SER 98 Cb -0.14 -1.66 -0.13 0.00 0.21 0.00 0.00 66.02 64.30 1j5i s SER 98 CO 0.01 0.20 -0.77 0.47 0.41 0.00 0.00 173.24 173.57 1j5i n ASP 99 N 0.64 -5.08 0.04 2.44 8.00 -1.06 -0.90 116.55 120.63 1j5i n ASP 99 Ca -0.09 0.16 0.07 0.00 0.71 0.00 0.00 54.79 55.65 1j5i n ASP 99 Cb 0.52 -0.78 0.33 0.00 -0.02 0.00 0.00 41.12 41.17 1j5i n ASP 99 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1j5i n ALA 100 N -2.82 1.54 0.21 2.24 0.00 -1.26 -0.87 120.51 119.55 1j5i n ALA 100 Ca -0.01 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.55 1j5i n ALA 100 Cb 0.59 -1.24 0.06 0.00 0.00 0.00 0.00 19.45 18.86 1j5i n ALA 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j5i h ALA 101 N 2.35 0.61 -0.99 0.00 0.00 -1.97 -3.48 119.26 115.78 1j5i h ALA 101 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1j5i h ALA 101 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1j5i h ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1j5i n GLY 102 N 1.19 0.67 2.95 0.00 0.00 -0.05 -5.10 105.19 104.85 1j5i n GLY 102 Ca 0.01 -0.35 -0.13 0.00 0.00 0.00 0.00 46.02 45.56 1j5i n GLY 102 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1j5i s ASN 103 N -2.39 0.38 0.00 1.61 -0.87 -1.26 -4.94 114.94 107.47 1j5i s ASN 103 Ca 0.00 -0.24 0.00 0.00 -1.57 0.00 0.00 52.86 51.05 1j5i s ASN 103 Cb 0.00 0.01 0.00 0.00 -0.02 0.00 0.00 41.25 41.24 1j5i s ASN 103 CO 0.00 -0.09 0.00 0.61 -2.57 0.00 0.00 177.10 175.05 1j5i n GLY 104 N 2.42 2.10 2.45 0.66 0.00 -1.26 -2.57 105.19 108.98 1j5i n GLY 104 Ca -0.17 -0.98 -0.27 0.00 0.00 0.00 0.00 46.02 44.60 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 1.02 2.67 -3.33 1.61 -0.04 -1.26 -4.69 135.00 130.98 1j5i n PRO 105 Ca 0.00 -1.68 -0.35 0.00 -0.04 0.00 0.00 63.50 61.43 1j5i n PRO 105 Cb 0.00 -2.53 -0.06 0.00 -0.04 0.00 0.00 33.50 30.87 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 2.73 3.98 0.00 0.54 8.01 -1.26 -5.00 118.70 127.71 1j5i s GLU 106 Ca 0.53 0.51 0.00 0.00 0.01 0.00 0.00 54.97 56.01 1j5i s GLU 106 Cb 0.15 -2.87 0.00 0.00 -4.31 0.00 0.00 34.13 27.09 1j5i s GLU 106 CO -0.04 0.44 0.00 0.41 0.01 0.00 0.00 175.26 176.08 1j5i n GLY 107 N 0.64 4.01 3.83 -1.39 0.00 -1.26 -3.66 105.19 107.36 1j5i n GLY 107 Ca -0.04 -1.61 -0.35 0.00 0.00 0.00 0.00 46.02 44.03 1j5i n GLY 107 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1j5i s VAL 108 N -2.27 5.08 -0.72 1.61 0.11 -0.45 -4.62 120.40 119.14 1j5i s VAL 108 Ca 0.00 -0.14 -0.26 0.00 -2.93 0.00 0.00 61.98 58.65 1j5i s VAL 108 Cb 0.00 -3.28 -0.03 0.00 -1.53 0.00 0.00 36.38 31.53 1j5i s VAL 108 CO 0.00 0.46 1.92 0.00 -3.33 0.00 0.00 175.10 174.15 1j5i s ALA 109 N -1.14 1.93 0.62 1.54 0.00 -1.26 -1.18 121.76 122.28 1j5i s ALA 109 Ca 0.20 -0.97 -0.12 0.00 0.00 0.00 0.00 51.96 51.07 1j5i s ALA 109 Cb -0.12 -4.41 -0.04 0.00 0.00 0.00 0.00 23.12 18.56 1j5i s ALA 109 CO 0.11 -4.30 1.03 0.42 0.00 0.00 0.00 175.76 173.01 1j5i s ILE 110 N 9.64 4.53 0.00 0.00 1.09 -0.53 -4.81 121.20 131.13 1j5i s ILE 110 Ca 0.69 0.88 0.00 0.00 -1.10 0.00 0.00 60.65 61.13 1j5i s ILE 110 Cb -0.10 -3.75 0.00 0.00 -1.06 0.00 0.00 42.46 37.55 1j5i s ILE 110 CO 0.12 -1.02 0.00 -1.20 -0.10 0.00 0.00 174.94 172.74 1j5i n SER 111 N -2.65 0.00 -3.62 3.58 7.64 0.13 -4.22 113.62 114.48 1j5i n SER 111 Ca 0.06 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.82 1j5i n SER 111 Cb 0.54 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.67 1j5i n SER 111 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 1j5i s PHE 112 N 0.00 -0.63 -2.00 1.43 2.19 -1.19 0.79 117.98 118.57 1j5i s PHE 112 Ca 0.00 1.51 0.06 0.00 0.33 0.00 0.00 56.93 58.82 1j5i s PHE 112 Cb 0.00 0.32 0.34 0.00 -1.31 0.00 0.00 43.02 42.38 1j5i s PHE 112 CO 0.00 -0.33 0.81 0.27 1.83 0.00 0.00 175.22 177.80