#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 4.47 -0.82 0.00 0.00 -1.26 -4.90 120.51 118.00 1j5i n ALA 2 Ca 0.00 -3.56 -0.15 0.00 0.00 0.00 0.00 53.44 49.73 1j5i n ALA 2 Cb 0.00 -0.41 -0.10 0.00 0.00 0.00 0.00 19.45 18.94 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 -0.71 1.88 0.00 0.00 -0.04 -1.26 -4.68 135.00 130.19 1j5i n PRO 3 Ca 0.35 -1.05 0.00 0.00 -0.04 0.00 0.00 63.50 62.76 1j5i n PRO 3 Cb 0.92 -2.09 0.00 0.00 -0.04 0.00 0.00 33.50 32.29 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 3.00 0.00 -2.84 0.52 -2.24 -0.91 -4.13 114.28 107.69 1j5i n THR 4 Ca 0.40 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.76 1j5i n THR 4 Cb 0.54 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.74 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 -1.15 3.56 -0.01 6.98 0.00 -1.23 0.35 121.76 130.26 1j5i s ALA 5 Ca 0.00 0.05 -0.06 0.00 0.00 0.00 0.00 51.96 51.95 1j5i s ALA 5 Cb 0.00 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 19.82 1j5i s ALA 5 CO 0.00 -0.77 0.12 0.95 0.00 0.00 0.00 175.76 176.06 1j5i s THR 6 N 2.45 0.06 -0.34 0.00 -4.23 -0.04 -4.28 115.64 109.25 1j5i s THR 6 Ca 0.39 -0.51 -0.23 0.00 -1.18 0.00 0.00 61.69 60.17 1j5i s THR 6 Cb -0.16 -0.35 0.01 0.00 1.34 0.00 0.00 72.50 73.34 1j5i s THR 6 CO 0.11 -0.28 0.76 -0.69 -0.54 0.00 0.00 174.62 173.98 1j5i s VAL 7 N -0.95 4.77 0.08 2.29 1.01 -1.26 -0.95 120.40 125.39 1j5i s VAL 7 Ca -0.10 0.94 -0.16 0.00 0.00 0.00 0.00 61.98 62.65 1j5i s VAL 7 Cb -0.06 -4.17 -0.04 0.00 0.00 0.00 0.00 36.38 32.11 1j5i s VAL 7 CO 0.01 -0.36 1.19 0.41 0.00 0.00 0.00 175.10 176.35 1j5i n THR 8 N 5.69 -0.35 0.00 3.92 -1.04 -0.76 -4.51 114.28 117.22 1j5i n THR 8 Ca 0.03 1.84 0.00 0.00 -2.04 0.00 0.00 64.05 63.88 1j5i n THR 8 Cb 0.48 -2.33 0.00 0.00 -1.82 0.00 0.00 70.33 66.66 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 -4.17 1.83 -0.04 -2.82 -0.04 -1.26 -5.01 135.00 123.49 1j5i n PRO 9 Ca 0.01 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.48 1j5i n PRO 9 Cb 0.13 0.00 -0.13 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 0.00 1.20 -0.64 3.54 3.41 -1.26 -5.01 113.62 114.86 1j5i n SER 10 Ca 0.00 0.00 0.08 0.00 -0.26 0.00 0.00 58.87 58.69 1j5i n SER 10 Cb 0.00 1.34 -0.02 0.00 -0.26 0.00 0.00 64.21 65.27 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 -2.31 -3.81 0.00 4.04 7.64 -1.26 -1.60 113.62 116.32 1j5i n SER 11 Ca -0.14 0.66 0.00 0.00 1.01 0.00 0.00 58.87 60.40 1j5i n SER 11 Cb 0.70 -2.10 0.00 0.00 -1.01 0.00 0.00 64.21 61.80 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 -2.05 1.35 0.52 0.23 0.00 -1.23 -2.18 105.19 101.82 1j5i n GLY 12 Ca 0.00 -0.01 0.39 0.00 0.00 0.00 0.00 46.02 46.40 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 0.19 -7.64 0.99 8.10 0.35 -3.30 115.31 114.00 1j5i h LEU 13 Ca 0.00 0.09 -0.55 0.00 0.11 0.00 0.00 57.88 57.53 1j5i h LEU 13 Cb 0.00 0.08 -0.38 0.00 -0.44 0.00 0.00 40.66 39.92 1j5i h LEU 13 CO 0.00 -0.10 -0.80 -0.55 -4.11 0.00 0.00 178.44 172.88 1j5i s SER 14 N -4.51 2.65 -0.89 0.17 0.15 -1.26 -5.04 113.70 104.97 1j5i s SER 14 Ca -0.07 -0.56 -0.26 0.00 0.70 0.00 0.00 55.95 55.76 1j5i s SER 14 Cb 0.28 -0.89 -0.25 0.00 -1.71 0.00 0.00 66.02 63.45 1j5i s SER 14 CO 0.83 -0.17 1.99 -0.90 1.20 0.00 0.00 173.24 176.20 1j5i n ASP 15 N 4.89 1.13 0.00 5.45 3.85 -1.24 -0.88 116.55 129.74 1j5i n ASP 15 Ca -0.12 -2.43 0.00 0.00 -0.71 0.00 0.00 54.79 51.53 1j5i n ASP 15 Cb 0.48 -1.51 0.00 0.00 -1.35 0.00 0.00 41.12 38.75 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 5.90 0.60 3.65 6.12 0.00 -0.54 -4.67 105.19 116.24 1j5i n GLY 16 Ca 0.40 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.14 4.95 -0.10 2.61 2.01 -0.06 -4.69 115.64 119.23 1j5i s THR 17 Ca 0.00 1.31 -0.30 0.00 0.31 0.00 0.00 61.69 63.01 1j5i s THR 17 Cb 0.00 -4.00 -0.03 0.00 0.01 0.00 0.00 72.50 68.48 1j5i s THR 17 CO 0.00 0.04 1.29 -0.69 -0.69 0.00 0.00 174.62 174.57 1j5i s VAL 18 N 2.29 4.14 0.32 3.82 1.01 -1.26 0.22 120.40 130.93 1j5i s VAL 18 Ca 0.31 1.43 0.04 0.00 0.00 0.00 0.00 61.98 63.75 1j5i s VAL 18 Cb -0.16 -3.92 -0.03 0.00 0.00 0.00 0.00 36.38 32.27 1j5i s VAL 18 CO 0.09 -0.07 0.18 0.68 0.00 0.00 0.00 175.10 175.99 1j5i s VAL 19 N 2.96 0.26 -0.22 2.92 -7.23 0.71 -4.96 120.40 114.84 1j5i s VAL 19 Ca 0.58 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.76 1j5i s VAL 19 Cb -0.25 -2.48 0.03 0.00 0.56 0.00 0.00 36.38 34.24 1j5i s VAL 19 CO 0.20 0.00 -0.13 -0.75 -0.31 0.00 0.00 175.10 174.11 1j5i s LYS 20 N -3.73 2.76 -0.63 4.82 2.20 -1.26 -1.35 119.74 122.54 1j5i s LYS 20 Ca 0.35 -1.00 -0.21 0.00 -0.36 0.00 0.00 55.97 54.75 1j5i s LYS 20 Cb 0.04 -2.78 0.08 0.00 -1.51 0.00 0.00 37.83 33.66 1j5i s LYS 20 CO 0.19 -0.36 0.86 0.08 -0.36 0.00 0.00 175.35 175.77 1j5i s VAL 21 N 1.25 4.52 -0.18 4.02 1.01 0.19 -1.84 120.40 129.38 1j5i s VAL 21 Ca -0.00 -0.60 -0.22 0.00 0.00 0.00 0.00 61.98 61.16 1j5i s VAL 21 Cb -0.16 -4.60 -0.02 0.00 0.00 0.00 0.00 36.38 31.59 1j5i s VAL 21 CO -0.08 -1.32 0.67 0.00 0.00 0.00 0.00 175.10 174.37 1j5i s ALA 22 N 3.51 3.52 -0.42 5.51 0.00 -0.12 -0.57 121.76 133.20 1j5i s ALA 22 Ca 0.18 -0.18 -0.12 0.00 0.00 0.00 0.00 51.96 51.84 1j5i s ALA 22 Cb -0.20 -3.01 0.05 0.00 0.00 0.00 0.00 23.12 19.97 1j5i s ALA 22 CO 0.09 -0.52 0.28 0.20 0.00 0.00 0.00 175.76 175.81 1j5i s GLY 23 N 1.14 1.98 -0.53 0.00 0.00 0.21 -0.86 107.32 109.26 1j5i s GLY 23 Ca 0.31 -1.96 -0.11 0.00 0.00 0.00 0.00 44.72 42.96 1j5i s GLY 23 CO 0.11 0.95 0.43 0.00 0.00 0.00 0.00 173.10 174.59 1j5i s ALA 24 N 1.55 3.54 -0.10 3.20 0.00 0.15 -0.91 121.76 129.19 1j5i s ALA 24 Ca 0.03 -2.63 -0.01 0.00 0.00 0.00 0.00 51.96 49.35 1j5i s ALA 24 Cb -0.22 -3.02 0.00 0.00 0.00 0.00 0.00 23.12 19.89 1j5i s ALA 24 CO 0.06 -1.98 0.09 0.41 0.00 0.00 0.00 175.76 174.33 1j5i n GLY 25 N 4.88 0.85 0.00 0.00 0.00 0.31 -2.13 105.19 109.10 1j5i n GLY 25 Ca -0.07 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.33 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 -0.82 0.00 -0.44 0.99 7.94 -0.83 -4.64 117.00 119.19 1j5i n LEU 26 Ca 0.00 0.00 0.39 0.00 -1.11 0.00 0.00 56.01 55.29 1j5i n LEU 26 Cb 0.50 0.00 0.59 0.00 0.53 0.00 0.00 43.42 45.05 1j5i n LEU 26 CO 0.05 0.00 1.30 0.00 -1.11 0.00 0.00 177.39 177.63 1j5i n GLN 27 N 0.00 0.01 -2.04 1.96 1.13 -1.26 -4.66 117.38 112.51 1j5i n GLN 27 Ca 0.00 1.00 -0.19 0.00 -1.94 0.00 0.00 57.00 55.87 1j5i n GLN 27 Cb 0.00 -2.39 -0.04 0.00 0.11 0.00 0.00 30.24 27.92 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 -2.53 -0.45 0.00 -1.58 0.00 -1.26 -1.93 120.51 112.75 1j5i n ALA 28 Ca 0.32 0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.98 1j5i n ALA 28 Cb 1.69 -2.00 0.00 0.00 0.00 0.00 0.00 19.45 19.14 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 -0.87 1.62 0.00 0.00 0.00 0.11 -4.33 105.19 101.72 1j5i n GLY 29 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 -3.73 2.61 -1.04 -0.81 -4.71 114.28 106.59 1j5i n THR 30 Ca 0.00 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 61.87 1j5i n THR 30 Cb 0.00 -1.83 -0.09 0.00 -1.82 0.00 0.00 70.33 66.60 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 -3.65 -0.90 0.08 2.41 0.00 -1.26 -1.70 121.76 116.74 1j5i s ALA 31 Ca 0.00 0.52 -0.01 0.00 0.00 0.00 0.00 51.96 52.47 1j5i s ALA 31 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 23.12 23.10 1j5i s ALA 31 CO 0.00 -0.26 0.12 0.66 0.00 0.00 0.00 175.76 176.28 1j5i n TYR 32 N 1.44 -0.75 -3.53 0.00 4.01 0.93 -4.85 117.16 114.42 1j5i n TYR 32 Ca -0.20 -0.52 -0.41 0.00 -0.16 0.00 0.00 57.90 56.61 1j5i n TYR 32 Cb 0.56 0.14 -0.11 0.00 -0.31 0.00 0.00 39.34 39.62 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 -1.49 6.00 0.20 7.72 3.68 -1.14 0.48 116.67 132.12 1j5i s ASP 33 Ca 0.06 -0.61 -0.28 0.00 2.13 0.00 0.00 52.55 53.86 1j5i s ASP 33 Cb -0.00 -2.12 -0.08 0.00 -1.45 0.00 0.00 42.92 39.26 1j5i s ASP 33 CO 0.04 -0.30 0.86 0.54 0.13 0.00 0.00 175.17 176.44 1j5i s VAL 34 N 1.69 4.23 0.00 1.11 0.11 -0.38 -0.85 120.40 126.31 1j5i s VAL 34 Ca 0.05 1.90 0.00 0.00 -2.93 0.00 0.00 61.98 61.00 1j5i s VAL 34 Cb -0.18 -4.24 0.00 0.00 -1.53 0.00 0.00 36.38 30.44 1j5i s VAL 34 CO 0.10 0.51 0.00 0.61 -3.33 0.00 0.00 175.10 172.98 1j5i n GLY 35 N 1.56 1.63 3.42 6.54 0.00 0.94 -0.37 105.19 118.91 1j5i n GLY 35 Ca -0.04 -0.75 -0.44 0.00 0.00 0.00 0.00 46.02 44.79 1j5i n GLY 35 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1j5i s GLN 36 N -2.00 3.10 0.14 1.61 -2.07 -1.26 -0.99 119.66 118.20 1j5i s GLN 36 Ca 0.00 -1.02 0.05 0.00 -1.82 0.00 0.00 55.36 52.57 1j5i s GLN 36 Cb 0.00 -4.21 -0.04 0.00 -1.09 0.00 0.00 33.01 27.67 1j5i s GLN 36 CO 0.00 -1.56 0.10 0.00 -1.32 0.00 0.00 175.29 172.51 1j5i s ALA 38 N -1.64 -2.20 -0.26 0.00 0.00 -0.46 -1.57 121.76 115.62 1j5i s ALA 38 Ca 0.30 1.91 -0.29 0.00 0.00 0.00 0.00 51.96 53.89 1j5i s ALA 38 Cb -0.11 -0.46 -0.03 0.00 0.00 0.00 0.00 23.12 22.53 1j5i s ALA 38 CO 0.22 -0.53 1.76 -1.58 0.00 0.00 0.00 175.76 175.64 1j5i s TRP 39 N -1.99 1.85 -0.25 0.00 0.51 -1.26 -1.15 118.94 116.65 1j5i s TRP 39 Ca 0.12 0.53 -0.12 0.00 -2.12 0.00 0.00 56.10 54.50 1j5i s TRP 39 Cb -0.01 -4.07 -0.11 0.00 -0.81 0.00 0.00 33.47 28.47 1j5i s TRP 39 CO -0.03 -3.16 -0.32 1.55 -0.51 0.00 0.00 176.95 174.48 1j5i n VAL 40 N 6.97 1.38 -2.55 4.03 3.14 -0.38 -4.62 118.33 126.30 1j5i n VAL 40 Ca 0.22 -0.36 -0.23 0.00 -2.96 0.00 0.00 64.34 61.02 1j5i n VAL 40 Cb 0.46 -1.83 0.04 0.00 -1.06 0.00 0.00 33.84 31.45 1j5i n VAL 40 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1j5i s ASP 41 N -7.24 5.22 -0.68 6.55 2.15 -1.14 -4.88 116.67 116.64 1j5i s ASP 41 Ca -0.35 0.15 -0.26 0.00 0.43 0.00 0.00 52.55 52.52 1j5i s ASP 41 Cb 0.13 -1.01 -0.16 0.00 -0.30 0.00 0.00 42.92 41.58 1j5i s ASP 41 CO 0.44 -1.21 1.97 1.07 -0.17 0.00 0.00 175.17 177.27 1j5i n THR 42 N -2.47 0.00 -1.94 1.71 5.66 -1.26 0.17 114.28 116.15 1j5i n THR 42 Ca 0.07 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.07 1j5i n THR 42 Cb 0.60 -0.38 0.00 0.00 -1.55 0.00 0.00 70.33 68.99 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 5.12 -0.32 3.58 1.09 0.00 -1.26 -4.84 105.19 108.57 1j5i n GLY 43 Ca 0.49 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.14 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 -1.63 5.03 -0.43 1.61 1.01 0.46 -5.02 120.40 121.44 1j5i s VAL 44 Ca 0.00 0.07 -0.29 0.00 0.00 0.00 0.00 61.98 61.76 1j5i s VAL 44 Cb 0.00 -3.35 0.01 0.00 0.00 0.00 0.00 36.38 33.03 1j5i s VAL 44 CO 0.00 0.33 1.44 -0.22 0.00 0.00 0.00 175.10 176.64 1j5i s LEU 45 N 1.33 3.56 0.01 3.92 1.98 -1.26 -1.25 118.68 126.96 1j5i s LEU 45 Ca 0.06 0.79 0.08 0.00 -2.89 0.00 0.00 54.13 52.17 1j5i s LEU 45 Cb -0.15 -3.48 -0.02 0.00 0.66 0.00 0.00 46.19 43.20 1j5i s LEU 45 CO 0.06 -1.49 -0.24 0.00 -1.89 0.00 0.00 176.35 172.79 1j5i s ALA 46 N 5.61 2.05 0.23 5.97 0.00 -0.30 -0.89 121.76 134.42 1j5i s ALA 46 Ca 0.61 -1.10 0.06 0.00 0.00 0.00 0.00 51.96 51.53 1j5i s ALA 46 Cb -0.14 -0.48 -0.04 0.00 0.00 0.00 0.00 23.12 22.46 1j5i s ALA 46 CO 0.32 0.49 0.21 0.00 0.00 0.00 0.00 175.76 176.78 1j5i s ASN 48 N -3.67 5.45 0.26 0.00 0.02 -1.11 -1.14 114.94 114.75 1j5i s ASN 48 Ca 0.33 0.94 0.25 0.00 -1.02 0.00 0.00 52.86 53.36 1j5i s ASN 48 Cb -0.09 -1.80 0.90 0.00 0.02 0.00 0.00 41.25 40.29 1j5i s ASN 48 CO 0.25 -1.26 1.75 1.55 0.02 0.00 0.00 177.10 179.41 1j5i h PRO 49 N -0.49 0.00 -0.51 -0.60 0.13 -1.90 -2.49 132.00 126.14 1j5i h PRO 49 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1j5i h PRO 49 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1j5i h PRO 49 CO 0.63 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.40 1j5i n ALA 50 N -1.81 2.61 0.77 -0.56 0.00 -1.26 -4.27 120.51 116.00 1j5i n ALA 50 Ca 0.04 -1.48 0.05 0.00 0.00 0.00 0.00 53.44 52.05 1j5i n ALA 50 Cb 0.34 -0.75 0.16 0.00 0.00 0.00 0.00 19.45 19.20 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 0.80 2.07 -4.22 0.00 2.03 -0.94 -4.61 116.55 111.68 1j5i n ASP 51 Ca 0.20 -2.07 -0.42 0.00 0.52 0.00 0.00 54.79 53.03 1j5i n ASP 51 Cb 0.67 -0.29 -0.05 0.00 -0.72 0.00 0.00 41.12 40.74 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 -1.58 3.71 -0.40 -0.67 0.08 -1.20 -2.80 117.98 115.12 1j5i s PHE 52 Ca 0.24 -2.46 0.04 0.00 0.12 0.00 0.00 56.93 54.86 1j5i s PHE 52 Cb 0.13 -3.53 0.16 0.00 -0.57 0.00 0.00 43.02 39.22 1j5i s PHE 52 CO 0.15 -0.90 0.41 0.45 -0.10 0.00 0.00 175.22 175.22 1j5i s SER 53 N 1.24 0.95 0.47 1.36 0.15 0.50 -4.96 113.70 113.41 1j5i s SER 53 Ca 0.20 -1.93 -0.15 0.00 0.70 0.00 0.00 55.95 54.77 1j5i s SER 53 Cb -0.13 0.50 -0.13 0.00 -1.71 0.00 0.00 66.02 64.55 1j5i s SER 53 CO -0.07 -0.22 -0.18 -0.24 1.20 0.00 0.00 173.24 173.74 1j5i n SER 54 N 3.78 -3.32 -3.60 5.45 2.88 -1.26 -1.25 113.62 116.29 1j5i n SER 54 Ca 0.16 0.50 -0.13 0.00 -1.33 0.00 0.00 58.87 58.07 1j5i n SER 54 Cb 0.47 -0.70 -0.05 0.00 -0.75 0.00 0.00 64.21 63.17 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 -1.68 0.04 -0.10 2.46 0.11 0.18 -4.57 120.40 116.84 1j5i s VAL 55 Ca 0.46 -0.37 -0.05 0.00 -2.93 0.00 0.00 61.98 59.09 1j5i s VAL 55 Cb -0.38 -1.02 0.04 0.00 -1.53 0.00 0.00 36.38 33.49 1j5i s VAL 55 CO 0.57 -0.20 0.24 0.28 -3.33 0.00 0.00 175.10 172.65 1j5i s THR 56 N -2.88 -0.04 -0.23 5.04 -1.32 -1.26 -0.05 115.64 114.91 1j5i s THR 56 Ca -0.03 0.14 -0.17 0.00 -1.21 0.00 0.00 61.69 60.42 1j5i s THR 56 Cb -0.00 -0.36 -0.03 0.00 -1.51 0.00 0.00 72.50 70.59 1j5i s THR 56 CO -0.05 0.06 0.46 0.00 -2.21 0.00 0.00 174.62 172.87 1j5i s ALA 57 N 1.14 3.56 1.04 11.08 0.00 -0.69 -4.18 121.76 133.72 1j5i s ALA 57 Ca -0.08 -0.55 -0.17 0.00 0.00 0.00 0.00 51.96 51.15 1j5i s ALA 57 Cb -0.10 -2.76 0.04 0.00 0.00 0.00 0.00 23.12 20.31 1j5i s ALA 57 CO -0.07 -0.50 -0.01 -0.25 0.00 0.00 0.00 175.76 174.92 1j5i n ASP 58 N 4.95 -2.56 -0.29 0.00 10.43 0.66 0.04 116.55 129.79 1j5i n ASP 58 Ca -0.06 0.07 0.23 0.00 2.57 0.00 0.00 54.79 57.60 1j5i n ASP 58 Cb 0.50 -1.00 0.43 0.00 1.84 0.00 0.00 41.12 42.89 1j5i n ASP 58 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1j5i n ALA 59 N -3.93 0.75 -0.64 2.24 0.00 -1.26 0.40 120.51 118.07 1j5i n ALA 59 Ca 0.03 0.92 -0.11 0.00 0.00 0.00 0.00 53.44 54.27 1j5i n ALA 59 Cb 0.60 -0.83 0.03 0.00 0.00 0.00 0.00 19.45 19.24 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 -5.11 5.77 -4.27 0.00 5.15 -1.26 -4.06 115.26 111.47 1j5i n ASN 60 Ca 0.29 -2.83 -0.38 0.00 -0.60 0.00 0.00 54.58 51.07 1j5i n ASN 60 Cb 0.99 -1.02 -0.05 0.00 -0.53 0.00 0.00 39.78 39.17 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 0.58 -0.43 3.39 8.20 0.00 1.30 -3.90 105.19 114.35 1j5i n GLY 61 Ca 0.21 0.09 -0.45 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 -3.18 6.68 -0.99 1.61 0.01 -0.95 -0.53 113.70 116.36 1j5i s SER 62 Ca 0.75 -2.33 -0.05 0.00 1.31 0.00 0.00 55.95 55.63 1j5i s SER 62 Cb -0.42 -2.31 0.24 0.00 0.21 0.00 0.00 66.02 63.74 1j5i s SER 62 CO 0.92 -0.84 0.92 0.00 0.41 0.00 0.00 173.24 174.65 1j5i s ALA 63 N 1.53 4.46 -1.17 1.44 0.00 -0.09 -0.24 121.76 127.69 1j5i s ALA 63 Ca 0.25 -3.84 -0.12 0.00 0.00 0.00 0.00 51.96 48.25 1j5i s ALA 63 Cb -0.08 -3.14 0.22 0.00 0.00 0.00 0.00 23.12 20.12 1j5i s ALA 63 CO -0.09 -2.17 1.30 -1.54 0.00 0.00 0.00 175.76 173.26 1j5i s SER 64 N 0.48 7.17 -0.15 0.00 1.04 -1.25 0.64 113.70 121.63 1j5i s SER 64 Ca 0.29 -3.24 -0.04 0.00 0.48 0.00 0.00 55.95 53.44 1j5i s SER 64 Cb -0.08 -2.32 -0.03 0.00 0.10 0.00 0.00 66.02 63.68 1j5i s SER 64 CO -0.11 -0.56 -0.02 0.28 0.98 0.00 0.00 173.24 173.82 1j5i s THR 65 N 0.41 4.08 -0.13 2.02 -1.32 0.27 -4.91 115.64 116.07 1j5i s THR 65 Ca 0.38 -0.30 -0.06 0.00 -1.21 0.00 0.00 61.69 60.50 1j5i s THR 65 Cb -0.06 -2.78 -0.04 0.00 -1.51 0.00 0.00 72.50 68.11 1j5i s THR 65 CO -0.03 0.51 0.09 -0.94 -2.21 0.00 0.00 174.62 172.04 1j5i s SER 66 N 0.14 5.96 0.36 8.08 1.04 -1.26 0.52 113.70 128.54 1j5i s SER 66 Ca -0.00 0.31 -0.10 0.00 0.48 0.00 0.00 55.95 56.64 1j5i s SER 66 Cb -0.13 -1.90 0.03 0.00 0.10 0.00 0.00 66.02 64.12 1j5i s SER 66 CO 0.02 0.35 0.64 -0.22 0.98 0.00 0.00 173.24 175.01 1j5i s LEU 67 N -0.67 0.45 -0.20 2.42 1.98 -0.46 -4.93 118.68 117.27 1j5i s LEU 67 Ca 0.12 -1.28 -0.08 0.00 -2.89 0.00 0.00 54.13 50.01 1j5i s LEU 67 Cb -0.12 2.21 -0.04 0.00 0.66 0.00 0.00 46.19 48.91 1j5i s LEU 67 CO 0.02 -1.50 0.07 -0.89 -1.89 0.00 0.00 176.35 172.17 1j5i s THR 68 N -2.72 4.75 -0.97 3.68 2.01 -1.26 -0.20 115.64 120.93 1j5i s THR 68 Ca 0.22 -0.04 -0.18 0.00 0.31 0.00 0.00 61.69 61.99 1j5i s THR 68 Cb -0.03 -3.16 0.13 0.00 0.01 0.00 0.00 72.50 69.45 1j5i s THR 68 CO 0.15 0.43 1.18 -0.69 -0.69 0.00 0.00 174.62 175.01 1j5i s VAL 69 N 0.63 4.71 -0.75 3.82 1.01 0.13 -4.79 120.40 125.16 1j5i s VAL 69 Ca 0.04 -1.64 -0.19 0.00 0.00 0.00 0.00 61.98 60.19 1j5i s VAL 69 Cb -0.13 -4.81 0.12 0.00 0.00 0.00 0.00 36.38 31.56 1j5i s VAL 69 CO 0.01 -1.55 0.90 -0.13 0.00 0.00 0.00 175.10 174.33 1j5i s ARG 70 N 2.72 3.32 0.24 2.72 0.52 -1.26 -1.47 118.95 125.74 1j5i s ARG 70 Ca 0.35 -1.56 -0.05 0.00 -0.52 0.00 0.00 55.73 53.94 1j5i s ARG 70 Cb -0.04 -4.50 0.26 0.00 0.52 0.00 0.00 34.95 31.19 1j5i s ARG 70 CO -0.08 -1.63 1.83 -0.09 0.02 0.00 0.00 175.30 175.35 1j5i h ARG 71 N 8.92 1.10 -5.97 3.54 2.43 -1.83 -3.41 114.38 119.16 1j5i h ARG 71 Ca -0.08 -0.18 -0.56 0.00 -0.81 0.00 0.00 59.98 58.34 1j5i h ARG 71 Cb 1.06 -0.19 -0.06 0.00 -0.42 0.00 0.00 29.97 30.36 1j5i h ARG 71 CO 1.06 0.88 0.03 0.45 -1.51 0.00 0.00 179.97 180.88 1j5i s SER 72 N -6.39 6.92 0.00 -3.80 0.15 -1.26 -0.98 113.70 108.34 1j5i s SER 72 Ca -0.12 1.10 0.00 0.00 0.70 0.00 0.00 55.95 57.63 1j5i s SER 72 Cb 0.16 -2.38 0.00 0.00 -1.71 0.00 0.00 66.02 62.09 1j5i s SER 72 CO 0.82 -0.07 0.00 0.49 1.20 0.00 0.00 173.24 175.68 1j5i n PHE 73 N 3.68 0.00 -2.68 3.44 3.72 0.97 -4.87 117.46 121.72 1j5i n PHE 73 Ca -0.03 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.94 1j5i n PHE 73 Cb 0.51 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 -2.00 4.15 0.44 -1.08 2.56 -1.26 -0.14 118.70 121.37 1j5i s GLU 74 Ca 0.00 1.16 -0.02 0.00 0.00 0.00 0.00 54.97 56.11 1j5i s GLU 74 Cb 0.00 -3.69 -0.02 0.00 2.00 0.00 0.00 34.13 32.42 1j5i s GLU 74 CO 0.00 -0.74 0.69 0.20 -0.56 0.00 0.00 175.26 174.85 1j5i s GLY 75 N 1.43 1.47 -0.01 -1.50 0.00 0.15 -3.08 107.32 105.79 1j5i s GLY 75 Ca 0.43 -0.80 0.02 0.00 0.00 0.00 0.00 44.72 44.37 1j5i s GLY 75 CO 0.10 -0.66 -0.05 -1.36 0.00 0.00 0.00 173.10 171.14 1j5i s PHE 76 N -2.58 0.49 0.58 1.90 0.40 -0.30 -0.83 117.98 117.65 1j5i s PHE 76 Ca 0.46 -0.09 -0.17 0.00 -0.60 0.00 0.00 56.93 56.52 1j5i s PHE 76 Cb -0.10 -0.35 -0.04 0.00 0.51 0.00 0.00 43.02 43.04 1j5i s PHE 76 CO 0.40 -0.03 1.08 -0.51 0.70 0.00 0.00 175.22 176.86 1j5i s LEU 77 N 0.05 3.57 0.38 -0.37 2.01 0.59 -0.87 118.68 124.05 1j5i s LEU 77 Ca -0.00 1.96 0.20 0.00 0.01 0.00 0.00 54.13 56.31 1j5i s LEU 77 Cb -0.04 -4.55 0.34 0.00 0.01 0.00 0.00 46.19 41.94 1j5i s LEU 77 CO -0.00 -1.25 1.58 0.15 1.01 0.00 0.00 176.35 177.84 1j5i h PHE 78 N 0.65 0.00 0.08 0.29 3.57 -1.25 -3.29 116.94 116.99 1j5i h PHE 78 Ca -0.48 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.03 1j5i h PHE 78 Cb 1.24 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.96 1j5i h PHE 78 CO 0.56 0.22 -0.14 0.22 -2.23 0.00 0.00 178.31 176.93 1j5i h ASP 79 N 0.00 -0.40 0.00 0.41 3.58 -1.92 -3.46 116.42 114.63 1j5i h ASP 79 Ca -0.00 0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.50 1j5i h ASP 79 Cb 1.11 0.15 0.00 0.00 1.72 0.00 0.00 39.33 42.31 1j5i h ASP 79 CO 0.03 -0.21 0.00 0.61 -2.88 0.00 0.00 179.24 176.79 1j5i n GLY 80 N -1.27 0.30 3.95 -0.78 0.00 -1.24 -5.15 105.19 101.00 1j5i n GLY 80 Ca -0.06 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.69 1j5i n GLY 80 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1j5i s THR 81 N 0.00 2.14 0.13 2.61 -1.32 -1.26 -4.90 115.64 113.04 1j5i s THR 81 Ca 0.00 -0.26 0.10 0.00 -1.21 0.00 0.00 61.69 60.32 1j5i s THR 81 Cb 0.00 -2.88 -0.04 0.00 -1.51 0.00 0.00 72.50 68.07 1j5i s THR 81 CO 0.00 0.00 -0.20 0.00 -2.21 0.00 0.00 174.62 172.21 1j5i s ARG 82 N -5.43 1.68 0.00 7.08 1.70 -1.26 -0.30 118.95 122.42 1j5i s ARG 82 Ca 0.66 -1.25 0.00 0.00 -0.47 0.00 0.00 55.73 54.67 1j5i s ARG 82 Cb -0.07 -2.04 0.00 0.00 -0.57 0.00 0.00 34.95 32.26 1j5i s ARG 82 CO 0.47 0.46 0.00 1.87 -1.08 0.00 0.00 175.30 177.03 1j5i n TRP 83 N 0.75 0.00 0.00 5.89 -0.00 -0.27 -4.73 117.44 119.08 1j5i n TRP 83 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.34 1j5i n TRP 83 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.84 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 3.42 0.92 3.27 5.87 0.00 -0.01 -4.77 105.19 113.89 1j5i n GLY 84 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.64 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 0.34 114.28 114.93 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 1.33 -0.64 0.00 0.00 175.07 175.76 1j5i n VAL 86 N 0.00 0.00 -3.53 12.58 0.24 0.80 -4.86 118.33 123.56 1j5i n VAL 86 Ca 0.00 0.00 -0.25 0.00 -2.04 0.00 0.00 64.34 62.05 1j5i n VAL 86 Cb 0.00 0.00 -0.14 0.00 -1.47 0.00 0.00 33.84 32.23 1j5i n VAL 86 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1j5i s ASP 87 N -1.33 2.57 -0.38 -1.34 2.15 -1.26 -0.02 116.67 117.07 1j5i s ASP 87 Ca 0.00 -0.85 -0.04 0.00 0.43 0.00 0.00 52.55 52.09 1j5i s ASP 87 Cb 0.00 -0.07 0.05 0.00 -0.30 0.00 0.00 42.92 42.60 1j5i s ASP 87 CO 0.00 -0.39 2.76 0.00 -0.17 0.00 0.00 175.17 177.37 1j5i n THR 89 N 0.99 0.27 -0.09 0.00 5.66 -1.26 -4.29 114.28 115.56 1j5i n THR 89 Ca 0.45 -0.29 -0.15 0.00 -3.05 0.00 0.00 64.05 61.01 1j5i n THR 89 Cb 0.60 0.03 -0.08 0.00 -1.55 0.00 0.00 70.33 69.32 1j5i n THR 89 CO 0.00 0.00 0.00 0.74 -3.05 0.00 0.00 175.07 172.76 1j5i h THR 90 N 0.00 0.73 -3.25 1.09 2.02 -2.00 -3.46 112.91 108.05 1j5i h THR 90 Ca 0.00 -1.83 -0.58 0.00 0.77 0.00 0.00 66.41 64.77 1j5i h THR 90 Cb 0.77 1.66 -0.06 0.00 -1.74 0.00 0.00 68.15 68.78 1j5i h THR 90 CO 0.00 0.25 -0.10 0.00 0.37 0.00 0.00 175.52 176.04 1j5i s ALA 91 N -2.45 3.53 -0.24 6.16 0.00 -1.26 -5.01 121.76 122.49 1j5i s ALA 91 Ca -0.22 -0.10 -0.29 0.00 0.00 0.00 0.00 51.96 51.35 1j5i s ALA 91 Cb 0.03 -2.63 -0.03 0.00 0.00 0.00 0.00 23.12 20.50 1j5i s ALA 91 CO 0.47 0.19 1.70 0.00 0.00 0.00 0.00 175.76 178.12 1j5i s ALA 92 N -0.16 3.15 -0.19 0.00 0.00 -1.26 -4.85 121.76 118.45 1j5i s ALA 92 Ca 0.28 0.45 -0.23 0.00 0.00 0.00 0.00 51.96 52.46 1j5i s ALA 92 Cb -0.17 -3.90 -0.02 0.00 0.00 0.00 0.00 23.12 19.03 1j5i s ALA 92 CO 0.14 -2.15 0.73 0.00 0.00 0.00 0.00 175.76 174.47 1j5i s GLN 94 N 2.12 3.76 -0.42 0.00 -2.07 -0.61 -1.06 119.66 121.38 1j5i s GLN 94 Ca 0.33 -0.43 -0.25 0.00 -1.82 0.00 0.00 55.36 53.19 1j5i s GLN 94 Cb -0.16 -3.33 0.02 0.00 -1.09 0.00 0.00 33.01 28.45 1j5i s GLN 94 CO 0.11 -0.07 0.88 0.08 -1.32 0.00 0.00 175.29 174.96 1j5i s VAL 95 N 1.32 4.58 0.34 3.63 1.01 0.36 -0.59 120.40 131.04 1j5i s VAL 95 Ca 0.05 0.85 -0.18 0.00 0.00 0.00 0.00 61.98 62.71 1j5i s VAL 95 Cb -0.15 -4.35 0.05 0.00 0.00 0.00 0.00 36.38 31.94 1j5i s VAL 95 CO 0.04 -0.66 0.82 -0.83 0.00 0.00 0.00 175.10 174.47 1j5i s GLY 96 N 2.06 0.25 -0.20 4.51 0.00 -0.16 -1.50 107.32 112.28 1j5i s GLY 96 Ca 0.35 -0.60 -0.06 0.00 0.00 0.00 0.00 44.72 44.41 1j5i s GLY 96 CO 0.22 0.13 0.03 0.48 0.00 0.00 0.00 173.10 173.96 1j5i s LEU 97 N -3.10 3.46 0.41 0.66 2.34 -1.26 -0.04 118.68 121.15 1j5i s LEU 97 Ca 0.16 -0.11 -0.10 0.00 0.06 0.00 0.00 54.13 54.14 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 0.10 0.09 0.76 -0.94 -1.06 0.00 0.00 176.35 175.30 1j5i s SER 98 N 0.85 6.49 0.63 1.48 1.04 -0.03 -4.70 113.70 119.47 1j5i s SER 98 Ca 0.02 1.10 -0.11 0.00 0.48 0.00 0.00 55.95 57.44 1j5i s SER 98 Cb -0.14 -2.31 -0.03 0.00 0.10 0.00 0.00 66.02 63.64 1j5i s SER 98 CO 0.02 -0.41 1.04 -1.81 0.98 0.00 0.00 173.24 173.06 1j5i s ASP 99 N -3.24 6.07 -0.01 7.02 1.11 -1.26 -2.90 116.67 123.46 1j5i s ASP 99 Ca 0.51 1.46 0.08 0.00 0.18 0.00 0.00 52.55 54.78 1j5i s ASP 99 Cb -0.10 -2.48 0.26 0.00 1.07 0.00 0.00 42.92 41.67 1j5i s ASP 99 CO 0.33 -0.98 1.18 0.00 1.18 0.00 0.00 175.17 176.88 1j5i n ALA 100 N -2.81 2.53 -0.41 5.23 0.00 -1.26 -4.25 120.51 119.55 1j5i n ALA 100 Ca 0.06 -0.53 0.00 0.00 0.00 0.00 0.00 53.44 52.97 1j5i n ALA 100 Cb 0.54 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 19.00 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 0.32 0.67 0.00 0.00 0.00 -1.26 -5.07 120.51 115.17 1j5i n ALA 101 Ca 0.10 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1j5i n ALA 101 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.74 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 2.37 0.00 3.47 0.00 0.00 -1.26 -5.17 105.19 104.60 1j5i n GLY 102 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 1j5i n GLY 102 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1j5i s ASN 103 N 0.00 3.44 -0.47 1.61 0.01 -1.26 -5.08 114.94 113.20 1j5i s ASN 103 Ca 0.00 -1.09 -0.05 0.00 -0.71 0.00 0.00 52.86 51.01 1j5i s ASN 103 Cb 0.00 -0.28 0.12 0.00 0.41 0.00 0.00 41.25 41.50 1j5i s ASN 103 CO 0.00 -0.09 0.29 -0.83 -1.51 0.00 0.00 177.10 174.97 1j5i s GLY 104 N -3.51 2.09 0.00 0.66 0.00 -1.26 -4.12 107.32 101.18 1j5i s GLY 104 Ca 0.30 -2.65 0.00 0.00 0.00 0.00 0.00 44.72 42.37 1j5i s GLY 104 CO 0.14 1.07 0.00 -1.55 0.00 0.00 0.00 173.10 172.76 1j5i n PRO 105 N 4.54 0.50 -3.30 2.90 -0.04 -1.26 -5.02 135.00 133.32 1j5i n PRO 105 Ca -0.02 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.05 1j5i n PRO 105 Cb 0.41 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.81 1j5i n PRO 105 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1j5i s GLU 106 N -1.00 4.21 0.16 0.54 2.56 -1.26 -5.07 118.70 118.84 1j5i s GLU 106 Ca 0.00 0.64 0.05 0.00 0.00 0.00 0.00 54.97 55.66 1j5i s GLU 106 Cb 0.00 -3.30 -0.05 0.00 2.00 0.00 0.00 34.13 32.79 1j5i s GLU 106 CO 0.00 0.50 -0.10 0.20 -0.56 0.00 0.00 175.26 175.29 1j5i s GLY 107 N -0.57 1.16 -0.30 -1.50 0.00 -1.26 -4.60 107.32 100.24 1j5i s GLY 107 Ca 0.28 -1.54 -0.16 0.00 0.00 0.00 0.00 44.72 43.30 1j5i s GLY 107 CO 0.16 -1.63 0.43 0.54 0.00 0.00 0.00 173.10 172.60 1j5i s VAL 108 N -3.26 5.11 -0.78 1.40 0.11 -0.57 -4.81 120.40 117.61 1j5i s VAL 108 Ca 0.18 0.45 -0.25 0.00 -2.93 0.00 0.00 61.98 59.43 1j5i s VAL 108 Cb 0.02 -3.81 -0.08 0.00 -1.53 0.00 0.00 36.38 30.98 1j5i s VAL 108 CO 0.02 -0.00 2.15 0.00 -3.33 0.00 0.00 175.10 173.93 1j5i s ALA 109 N 2.19 1.39 0.73 1.54 0.00 -1.26 -0.49 121.76 125.86 1j5i s ALA 109 Ca 0.16 -0.98 -0.11 0.00 0.00 0.00 0.00 51.96 51.03 1j5i s ALA 109 Cb -0.16 -4.51 0.03 0.00 0.00 0.00 0.00 23.12 18.48 1j5i s ALA 109 CO 0.11 -5.03 1.07 -1.50 0.00 0.00 0.00 175.76 170.41 1j5i s ILE 110 N 11.81 3.71 0.00 0.00 1.10 -0.22 -4.77 121.20 132.82 1j5i s ILE 110 Ca 0.80 0.55 0.00 0.00 -0.51 0.00 0.00 60.65 61.50 1j5i s ILE 110 Cb -0.11 -3.30 0.00 0.00 0.15 0.00 0.00 42.46 39.20 1j5i s ILE 110 CO 0.08 -0.72 0.00 -1.20 -2.11 0.00 0.00 174.94 170.99 1j5i n SER 111 N -3.23 0.00 0.00 4.50 7.64 -0.63 -4.36 113.62 117.55 1j5i n SER 111 Ca 0.07 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.95 1j5i n SER 111 Cb 0.54 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.74 1j5i n SER 111 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 1j5i n PHE 112 N 0.00 0.00 0.00 1.43 7.35 -1.05 0.99 117.46 126.18 1j5i n PHE 112 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 1j5i n PHE 112 Cb 0.00 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.83 1j5i n PHE 112 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29