#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 -0.08 -3.00 0.00 0.00 -1.94 -3.41 119.26 110.83 1j5i h ALA 2 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1j5i h ALA 2 Cb 0.00 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1j5i h ALA 2 CO 0.00 -0.43 0.00 -0.35 0.00 0.00 0.00 179.25 178.47 1j5i n PRO 3 N -5.01 -0.05 0.00 0.00 -0.04 -1.26 -4.72 135.00 123.92 1j5i n PRO 3 Ca -0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.38 1j5i n PRO 3 Cb 0.16 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.62 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 -1.64 0.00 -2.71 0.52 -2.24 -0.58 -4.30 114.28 103.33 1j5i n THR 4 Ca 0.00 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.37 1j5i n THR 4 Cb 0.00 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.19 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 -1.25 3.22 0.37 6.98 0.00 -1.25 -0.69 121.76 129.14 1j5i s ALA 5 Ca 0.00 0.58 -0.05 0.00 0.00 0.00 0.00 51.96 52.49 1j5i s ALA 5 Cb 0.00 -3.31 0.02 0.00 0.00 0.00 0.00 23.12 19.83 1j5i s ALA 5 CO 0.00 -0.11 0.57 -0.08 0.00 0.00 0.00 175.76 176.14 1j5i s THR 6 N 0.35 0.00 -0.08 0.00 -1.32 0.38 -4.08 115.64 110.89 1j5i s THR 6 Ca 0.49 -1.44 0.03 0.00 -1.21 0.00 0.00 61.69 59.56 1j5i s THR 6 Cb -0.23 -2.75 -0.01 0.00 -1.51 0.00 0.00 72.50 68.00 1j5i s THR 6 CO 0.29 0.00 -0.18 0.54 -2.21 0.00 0.00 174.62 173.06 1j5i s VAL 7 N -2.74 2.63 0.17 5.08 0.11 -1.26 -1.94 120.40 122.46 1j5i s VAL 7 Ca 0.27 -0.85 -0.26 0.00 -2.93 0.00 0.00 61.98 58.21 1j5i s VAL 7 Cb -0.02 -2.03 0.03 0.00 -1.53 0.00 0.00 36.38 32.83 1j5i s VAL 7 CO 0.19 0.56 1.56 0.74 -3.33 0.00 0.00 175.10 174.82 1j5i h THR 8 N 5.06 0.04 -0.68 5.04 2.02 -1.69 -3.41 112.91 119.29 1j5i h THR 8 Ca -0.32 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.86 1j5i h THR 8 Cb 1.19 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.64 1j5i h THR 8 CO 0.51 0.00 0.00 -0.81 0.37 0.00 0.00 175.52 175.59 1j5i n PRO 9 N -5.38 1.16 0.00 6.66 -0.04 -1.26 -5.06 135.00 131.08 1j5i n PRO 9 Ca 0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.49 1j5i n PRO 9 Cb 0.34 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.80 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 0.00 0.00 -3.30 3.54 7.64 -1.26 -4.95 113.62 115.29 1j5i n SER 10 Ca 0.00 0.00 -0.27 0.00 1.01 0.00 0.00 58.87 59.61 1j5i n SER 10 Cb 0.00 0.12 -0.03 0.00 -1.01 0.00 0.00 64.21 63.29 1j5i n SER 10 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1j5i n SER 11 N -2.04 3.52 -0.45 6.43 7.64 -1.26 -1.98 113.62 125.48 1j5i n SER 11 Ca 0.00 -2.40 0.40 0.00 1.01 0.00 0.00 58.87 57.88 1j5i n SER 11 Cb 0.00 -1.01 0.61 0.00 -1.01 0.00 0.00 64.21 62.80 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 4.06 -0.85 2.36 0.23 0.00 -0.72 -1.64 105.19 108.63 1j5i n GLY 12 Ca 0.41 0.51 -0.39 0.00 0.00 0.00 0.00 46.02 46.55 1j5i n GLY 12 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1j5i n LEU 13 N -3.52 8.58 -3.72 0.99 -0.00 -0.73 -4.50 117.00 114.09 1j5i n LEU 13 Ca 0.33 -4.42 -0.28 0.00 -0.00 0.00 0.00 56.01 51.64 1j5i n LEU 13 Cb 1.73 -1.54 -0.12 0.00 -0.00 0.00 0.00 43.42 43.50 1j5i n LEU 13 CO 0.33 2.02 -0.15 -0.55 -0.00 0.00 0.00 177.39 179.04 1j5i s SER 14 N 2.00 3.61 0.00 1.45 0.15 -0.65 -4.97 113.70 115.29 1j5i s SER 14 Ca 0.67 -3.42 0.00 0.00 0.70 0.00 0.00 55.95 53.89 1j5i s SER 14 Cb 0.18 -1.19 0.00 0.00 -1.71 0.00 0.00 66.02 63.30 1j5i s SER 14 CO -0.07 -0.14 0.00 0.47 1.20 0.00 0.00 173.24 174.70 1j5i n ASP 15 N 2.49 0.00 -3.74 5.45 10.43 -1.26 0.17 116.55 130.08 1j5i n ASP 15 Ca 0.21 0.00 -0.27 0.00 2.57 0.00 0.00 54.79 57.30 1j5i n ASP 15 Cb 0.39 0.00 0.01 0.00 1.84 0.00 0.00 41.12 43.35 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 -0.06 -0.98 3.68 0.44 0.00 -1.22 -4.80 105.19 102.25 1j5i n GLY 16 Ca 0.00 0.44 -0.42 0.00 0.00 0.00 0.00 46.02 46.04 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 -3.12 4.09 -0.18 2.61 2.01 0.44 -4.56 115.64 116.92 1j5i s THR 17 Ca 0.13 1.42 -0.16 0.00 0.31 0.00 0.00 61.69 63.39 1j5i s THR 17 Cb -0.07 -3.91 -0.04 0.00 0.01 0.00 0.00 72.50 68.49 1j5i s THR 17 CO 0.78 -0.02 0.41 -0.69 -0.69 0.00 0.00 174.62 174.41 1j5i s VAL 18 N 2.46 5.20 0.00 3.82 1.01 -1.26 -0.14 120.40 131.49 1j5i s VAL 18 Ca 0.58 0.76 0.00 0.00 0.00 0.00 0.00 61.98 63.32 1j5i s VAL 18 Cb -0.26 -3.74 0.00 0.00 0.00 0.00 0.00 36.38 32.37 1j5i s VAL 18 CO 0.23 0.28 0.00 1.33 0.00 0.00 0.00 175.10 176.94 1j5i n VAL 19 N 4.10 0.00 -5.13 2.92 0.24 -0.60 -4.98 118.33 114.88 1j5i n VAL 19 Ca -0.08 0.00 -0.32 0.00 -2.04 0.00 0.00 64.34 61.90 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 -1.59 -2.14 0.00 0.00 176.83 173.10 1j5i s LYS 20 N -1.62 2.40 -0.32 7.34 -2.85 -1.26 -1.81 119.74 121.62 1j5i s LYS 20 Ca 0.00 -0.83 -0.10 0.00 -1.00 0.00 0.00 55.97 54.04 1j5i s LYS 20 Cb 0.00 -2.21 -0.00 0.00 -2.06 0.00 0.00 37.83 33.56 1j5i s LYS 20 CO 0.00 0.52 0.16 0.08 0.10 0.00 0.00 175.35 176.21 1j5i s VAL 21 N -0.50 4.61 0.06 1.79 1.01 0.29 -1.62 120.40 126.04 1j5i s VAL 21 Ca 0.06 -0.47 -0.19 0.00 0.00 0.00 0.00 61.98 61.39 1j5i s VAL 21 Cb -0.11 -3.38 -0.07 0.00 0.00 0.00 0.00 36.38 32.83 1j5i s VAL 21 CO 0.01 0.03 0.54 0.00 0.00 0.00 0.00 175.10 175.68 1j5i s ALA 22 N 1.61 3.61 -0.34 5.51 0.00 -0.82 -1.33 121.76 130.00 1j5i s ALA 22 Ca 0.04 -0.01 0.03 0.00 0.00 0.00 0.00 51.96 52.02 1j5i s ALA 22 Cb -0.17 -2.59 0.09 0.00 0.00 0.00 0.00 23.12 20.45 1j5i s ALA 22 CO 0.06 0.41 0.05 0.20 0.00 0.00 0.00 175.76 176.49 1j5i s GLY 23 N -1.10 1.91 -0.50 0.00 0.00 0.21 -0.47 107.32 107.37 1j5i s GLY 23 Ca 0.28 -2.42 -0.17 0.00 0.00 0.00 0.00 44.72 42.42 1j5i s GLY 23 CO 0.18 0.90 0.50 0.00 0.00 0.00 0.00 173.10 174.68 1j5i s ALA 24 N 0.98 3.51 0.00 3.20 0.00 0.13 -1.14 121.76 128.43 1j5i s ALA 24 Ca 0.07 -2.08 0.00 0.00 0.00 0.00 0.00 51.96 49.96 1j5i s ALA 24 Cb -0.20 -3.21 0.00 0.00 0.00 0.00 0.00 23.12 19.71 1j5i s ALA 24 CO -0.07 -1.89 0.00 0.41 0.00 0.00 0.00 175.76 174.21 1j5i n GLY 25 N 5.21 0.82 0.00 0.00 0.00 -0.09 -1.52 105.19 109.61 1j5i n GLY 25 Ca -0.11 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.27 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 -0.01 0.00 -4.53 0.99 -0.00 -0.59 -4.82 117.00 108.04 1j5i n LEU 26 Ca 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 56.01 55.85 1j5i n LEU 26 Cb 0.36 0.00 -0.14 0.00 -0.00 0.00 0.00 43.42 43.65 1j5i n LEU 26 CO 0.00 0.00 1.56 0.00 -0.00 0.00 0.00 177.39 178.95 1j5i n GLN 27 N 0.00 0.31 -1.55 1.96 1.13 -1.26 -4.56 117.38 113.40 1j5i n GLN 27 Ca 0.00 -0.51 -0.13 0.00 -1.94 0.00 0.00 57.00 54.41 1j5i n GLN 27 Cb 0.00 -2.57 -0.09 0.00 0.11 0.00 0.00 30.24 27.69 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 13.18 0.30 -0.96 -1.58 0.00 -1.26 -1.39 120.51 128.80 1j5i n ALA 28 Ca 0.55 -1.69 0.00 0.00 0.00 0.00 0.00 53.44 52.29 1j5i n ALA 28 Cb 0.31 -3.21 0.00 0.00 0.00 0.00 0.00 19.45 16.55 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 6.45 0.47 3.27 0.00 0.00 -0.56 -4.74 105.19 110.09 1j5i n GLY 29 Ca 0.44 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.26 1j5i n GLY 29 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1j5i n THR 30 N -2.54 0.00 -3.71 2.61 -2.24 -0.48 -4.81 114.28 103.11 1j5i n THR 30 Ca 0.00 -1.22 -0.23 0.00 -2.27 0.00 0.00 64.05 60.32 1j5i n THR 30 Cb 0.09 -1.10 -0.17 0.00 -2.10 0.00 0.00 70.33 67.05 1j5i n THR 30 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1j5i s ALA 31 N -3.30 0.59 0.00 6.98 0.00 -1.26 -1.64 121.76 123.12 1j5i s ALA 31 Ca 0.58 -0.17 0.00 0.00 0.00 0.00 0.00 51.96 52.36 1j5i s ALA 31 Cb -0.03 -0.83 0.00 0.00 0.00 0.00 0.00 23.12 22.26 1j5i s ALA 31 CO 0.39 -0.70 0.00 0.66 0.00 0.00 0.00 175.76 176.10 1j5i n TYR 32 N 5.19 -0.19 -4.05 0.00 4.02 0.10 -4.70 117.16 117.54 1j5i n TYR 32 Ca -0.06 0.00 -0.31 0.00 -0.01 0.00 0.00 57.90 57.51 1j5i n TYR 32 Cb 0.49 0.00 -0.16 0.00 -0.02 0.00 0.00 39.34 39.65 1j5i n TYR 32 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1j5i s ASP 33 N -0.64 3.25 0.33 7.72 3.68 -0.73 0.20 116.67 130.48 1j5i s ASP 33 Ca 0.00 -0.77 -0.27 0.00 2.13 0.00 0.00 52.55 53.64 1j5i s ASP 33 Cb 0.00 -1.33 -0.09 0.00 -1.45 0.00 0.00 42.92 40.05 1j5i s ASP 33 CO 0.00 -0.08 1.08 -0.69 0.13 0.00 0.00 175.17 175.61 1j5i s VAL 34 N 1.36 3.56 0.00 1.11 1.01 0.12 -0.29 120.40 127.26 1j5i s VAL 34 Ca 0.01 1.40 0.00 0.00 0.00 0.00 0.00 61.98 63.40 1j5i s VAL 34 Cb -0.15 -3.83 0.00 0.00 0.00 0.00 0.00 36.38 32.41 1j5i s VAL 34 CO -0.10 0.21 0.00 0.61 0.00 0.00 0.00 175.10 175.82 1j5i n GLY 35 N 0.83 1.54 3.39 4.51 0.00 0.93 -0.16 105.19 116.23 1j5i n GLY 35 Ca 0.02 -0.45 -0.44 0.00 0.00 0.00 0.00 46.02 45.14 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 3.06 0.08 1.61 -0.21 -1.26 -1.13 119.66 119.81 1j5i s GLN 36 Ca 0.00 -1.23 0.03 0.00 0.02 0.00 0.00 55.36 54.18 1j5i s GLN 36 Cb 0.00 -4.23 -0.04 0.00 1.00 0.00 0.00 33.01 29.74 1j5i s GLN 36 CO 0.00 -1.47 0.06 0.00 -2.12 0.00 0.00 175.29 171.76 1j5i s ALA 38 N -1.36 -2.13 -0.17 0.00 0.00 -0.61 -1.42 121.76 116.07 1j5i s ALA 38 Ca 0.28 1.75 -0.29 0.00 0.00 0.00 0.00 51.96 53.70 1j5i s ALA 38 Cb -0.12 -0.26 -0.05 0.00 0.00 0.00 0.00 23.12 22.69 1j5i s ALA 38 CO 0.21 -0.57 1.88 1.67 0.00 0.00 0.00 175.76 178.95 1j5i s TRP 39 N -2.23 1.63 -0.24 0.00 -2.14 -1.26 0.09 118.94 114.79 1j5i s TRP 39 Ca 0.10 0.33 -0.04 0.00 2.66 0.00 0.00 56.10 59.15 1j5i s TRP 39 Cb -0.01 -4.04 -0.18 0.00 -3.10 0.00 0.00 33.47 26.15 1j5i s TRP 39 CO -0.04 -3.85 -0.13 1.55 -2.66 0.00 0.00 176.95 171.82 1j5i n VAL 40 N 6.69 1.55 -1.27 -0.66 3.14 -0.34 -4.75 118.33 122.69 1j5i n VAL 40 Ca 0.23 -0.51 0.00 0.00 -2.96 0.00 0.00 64.34 61.09 1j5i n VAL 40 Cb 0.44 -1.61 0.00 0.00 -1.06 0.00 0.00 33.84 31.62 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 -4.50 6.55 4.64 -1.19 -4.89 116.55 113.58 1j5i n ASP 41 Ca -0.45 -0.18 -0.27 0.00 -1.38 0.00 0.00 54.79 52.50 1j5i n ASP 41 Cb 0.96 0.00 -0.07 0.00 -1.04 0.00 0.00 41.12 40.97 1j5i n ASP 41 CO 0.00 0.00 0.00 0.41 -0.82 0.00 0.00 177.20 176.79 1j5i n THR 42 N -0.27 1.61 -1.76 5.18 -1.04 -1.26 -3.18 114.28 113.56 1j5i n THR 42 Ca 0.00 -1.66 -0.11 0.00 -2.04 0.00 0.00 64.05 60.25 1j5i n THR 42 Cb 0.00 -2.15 -0.03 0.00 -1.82 0.00 0.00 70.33 66.33 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 5.73 0.56 3.39 3.41 0.00 -1.26 -4.98 105.19 112.05 1j5i n GLY 43 Ca 0.45 -0.48 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.47 4.73 -0.45 1.61 1.01 -1.19 -4.99 120.40 118.64 1j5i s VAL 44 Ca 0.00 -0.82 -0.27 0.00 0.00 0.00 0.00 61.98 60.88 1j5i s VAL 44 Cb 0.00 -3.64 -0.08 0.00 0.00 0.00 0.00 36.38 32.66 1j5i s VAL 44 CO 0.00 -0.26 2.38 0.18 0.00 0.00 0.00 175.10 177.40 1j5i n LEU 45 N 5.03 2.39 -4.37 3.92 4.77 -1.26 -1.20 117.00 126.29 1j5i n LEU 45 Ca -0.12 -0.27 -0.33 0.00 -0.03 0.00 0.00 56.01 55.26 1j5i n LEU 45 Cb 0.46 -1.53 -0.14 0.00 -2.33 0.00 0.00 43.42 39.88 1j5i n LEU 45 CO 0.38 -1.30 -0.45 0.00 -1.33 0.00 0.00 177.39 174.69 1j5i s ALA 46 N 10.98 2.61 0.23 -1.18 0.00 0.11 0.31 121.76 134.82 1j5i s ALA 46 Ca 1.02 -0.89 0.01 0.00 0.00 0.00 0.00 51.96 52.09 1j5i s ALA 46 Cb -0.31 -1.20 -0.04 0.00 0.00 0.00 0.00 23.12 21.58 1j5i s ALA 46 CO 0.31 0.26 0.41 0.00 0.00 0.00 0.00 175.76 176.73 1j5i s ASN 48 N -3.44 5.76 0.00 0.00 0.02 -1.15 0.33 114.94 116.46 1j5i s ASN 48 Ca 0.38 0.86 0.22 0.00 -1.02 0.00 0.00 52.86 53.30 1j5i s ASN 48 Cb -0.10 -1.90 0.99 0.00 0.02 0.00 0.00 41.25 40.26 1j5i s ASN 48 CO 0.30 -0.98 1.71 -0.81 0.02 0.00 0.00 177.10 177.34 1j5i n PRO 49 N -2.58 0.09 -0.40 -0.60 -0.04 -1.25 -2.10 135.00 128.12 1j5i n PRO 49 Ca 0.04 0.11 0.08 0.00 -0.04 0.00 0.00 63.50 63.69 1j5i n PRO 49 Cb 0.57 -1.50 0.25 0.00 -0.04 0.00 0.00 33.50 32.77 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 -1.44 2.78 0.77 0.55 0.00 -1.26 -4.38 120.51 117.53 1j5i n ALA 50 Ca 0.07 -1.79 0.04 0.00 0.00 0.00 0.00 53.44 51.76 1j5i n ALA 50 Cb 0.23 -0.69 0.15 0.00 0.00 0.00 0.00 19.45 19.14 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 0.15 2.05 -4.23 0.00 -0.08 -0.89 -4.61 116.55 108.95 1j5i n ASP 51 Ca 0.19 -2.11 -0.42 0.00 -1.51 0.00 0.00 54.79 50.94 1j5i n ASP 51 Cb 0.75 -0.32 -0.07 0.00 2.34 0.00 0.00 41.12 43.83 1j5i n ASP 51 CO 0.00 0.00 0.00 -0.36 0.12 0.00 0.00 177.20 176.96 1j5i s PHE 52 N -1.63 3.50 -0.43 -0.67 0.08 -1.17 -2.97 117.98 114.70 1j5i s PHE 52 Ca 0.21 -2.05 0.04 0.00 0.12 0.00 0.00 56.93 55.25 1j5i s PHE 52 Cb 0.13 -3.55 0.17 0.00 -0.57 0.00 0.00 43.02 39.20 1j5i s PHE 52 CO 0.12 -0.96 0.42 0.45 -0.10 0.00 0.00 175.22 175.15 1j5i s SER 53 N 2.15 0.82 0.12 1.36 0.15 0.78 -4.93 113.70 114.14 1j5i s SER 53 Ca 0.12 -2.60 -0.35 0.00 0.70 0.00 0.00 55.95 53.82 1j5i s SER 53 Cb -0.21 0.18 -0.17 0.00 -1.71 0.00 0.00 66.02 64.11 1j5i s SER 53 CO -0.03 -0.16 1.11 -1.54 1.20 0.00 0.00 173.24 173.82 1j5i n SER 54 N 3.04 0.85 -3.98 5.45 3.41 -1.26 0.10 113.62 121.23 1j5i n SER 54 Ca 0.25 1.14 -0.09 0.00 -0.26 0.00 0.00 58.87 59.91 1j5i n SER 54 Cb 0.49 -1.12 -0.05 0.00 -0.26 0.00 0.00 64.21 63.27 1j5i n SER 54 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1j5i s VAL 55 N -0.09 0.01 -0.02 -3.33 -7.23 0.13 -4.78 120.40 105.09 1j5i s VAL 55 Ca 0.78 -1.37 -0.08 0.00 -1.81 0.00 0.00 61.98 59.50 1j5i s VAL 55 Cb -0.97 -2.12 0.01 0.00 0.56 0.00 0.00 36.38 33.85 1j5i s VAL 55 CO 0.53 -0.04 0.18 0.28 -0.31 0.00 0.00 175.10 175.74 1j5i s THR 56 N -4.01 0.06 0.03 5.32 -1.32 -1.26 0.03 115.64 114.49 1j5i s THR 56 Ca 0.21 -0.46 0.02 0.00 -1.21 0.00 0.00 61.69 60.26 1j5i s THR 56 Cb -0.00 -0.42 -0.04 0.00 -1.51 0.00 0.00 72.50 70.53 1j5i s THR 56 CO 0.07 -0.25 0.02 0.00 -2.21 0.00 0.00 174.62 172.25 1j5i s ALA 57 N -0.95 3.35 0.78 11.08 0.00 -0.65 -4.17 121.76 131.19 1j5i s ALA 57 Ca -0.10 -1.00 -0.12 0.00 0.00 0.00 0.00 51.96 50.74 1j5i s ALA 57 Cb -0.05 -1.33 0.07 0.00 0.00 0.00 0.00 23.12 21.80 1j5i s ALA 57 CO 0.02 0.68 1.12 -0.51 0.00 0.00 0.00 175.76 177.07 1j5i s ASP 58 N -1.88 4.19 0.58 0.00 -0.00 0.11 -1.49 116.67 118.17 1j5i s ASP 58 Ca 0.23 2.02 0.39 0.00 -0.00 0.00 0.00 52.55 55.18 1j5i s ASP 58 Cb -0.12 -2.55 1.41 0.00 -0.00 0.00 0.00 42.92 41.67 1j5i s ASP 58 CO 0.14 -2.25 1.54 0.00 -0.00 0.00 0.00 175.17 174.60 1j5i h ALA 59 N -0.98 3.32 -0.43 5.23 0.00 -1.86 2.73 119.26 127.27 1j5i h ALA 59 Ca -0.45 -0.05 -0.25 0.00 0.00 0.00 0.00 54.91 54.16 1j5i h ALA 59 Cb 1.25 0.11 -0.13 0.00 0.00 0.00 0.00 17.79 19.02 1j5i h ALA 59 CO 0.49 -1.92 0.32 -1.71 0.00 0.00 0.00 179.25 176.43 1j5i n ASN 60 N -3.72 4.42 -4.32 0.00 5.15 -1.26 -4.18 115.26 111.36 1j5i n ASN 60 Ca 0.31 -2.81 -0.38 0.00 -0.60 0.00 0.00 54.58 51.10 1j5i n ASN 60 Cb 1.62 -0.80 -0.04 0.00 -0.53 0.00 0.00 39.78 40.03 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 0.03 -0.42 3.30 8.20 0.00 0.91 -4.37 105.19 112.84 1j5i n GLY 61 Ca 0.26 0.12 -0.46 0.00 0.00 0.00 0.00 46.02 45.94 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 6.32 -0.57 1.61 0.01 -0.94 -0.91 113.70 115.89 1j5i s SER 62 Ca 0.74 -2.13 -0.19 0.00 1.31 0.00 0.00 55.95 55.68 1j5i s SER 62 Cb -0.41 -2.18 0.09 0.00 0.21 0.00 0.00 66.02 63.73 1j5i s SER 62 CO 0.96 -0.74 0.67 0.00 0.41 0.00 0.00 173.24 174.54 1j5i s ALA 63 N 1.06 3.43 -1.01 1.44 0.00 -0.30 0.08 121.76 126.46 1j5i s ALA 63 Ca 0.09 -2.15 -0.11 0.00 0.00 0.00 0.00 51.96 49.79 1j5i s ALA 63 Cb -0.23 -3.46 0.26 0.00 0.00 0.00 0.00 23.12 19.68 1j5i s ALA 63 CO -0.01 -2.24 0.98 -1.12 0.00 0.00 0.00 175.76 173.36 1j5i s SER 64 N 3.41 7.10 0.37 0.00 0.01 -1.26 0.68 113.70 124.01 1j5i s SER 64 Ca 0.11 -3.27 0.08 0.00 1.31 0.00 0.00 55.95 54.18 1j5i s SER 64 Cb -0.24 -2.21 -0.02 0.00 0.21 0.00 0.00 66.02 63.77 1j5i s SER 64 CO 0.07 -0.39 0.33 0.28 0.41 0.00 0.00 173.24 173.94 1j5i s THR 65 N -0.75 3.16 -0.09 1.44 -1.32 -0.44 -4.96 115.64 112.67 1j5i s THR 65 Ca 0.26 -1.36 -0.08 0.00 -1.21 0.00 0.00 61.69 59.29 1j5i s THR 65 Cb -0.10 -3.10 0.03 0.00 -1.51 0.00 0.00 72.50 67.81 1j5i s THR 65 CO -0.08 -0.10 0.25 -0.94 -2.21 0.00 0.00 174.62 171.53 1j5i s SER 66 N -4.05 -0.26 0.20 8.08 1.04 -1.26 0.11 113.70 117.56 1j5i s SER 66 Ca 0.44 0.50 -0.22 0.00 0.48 0.00 0.00 55.95 57.15 1j5i s SER 66 Cb -0.05 0.50 0.07 0.00 0.10 0.00 0.00 66.02 66.64 1j5i s SER 66 CO 0.27 -0.09 0.99 -0.22 0.98 0.00 0.00 173.24 175.17 1j5i s LEU 67 N 0.21 -0.03 0.02 2.42 2.96 -0.75 -4.94 118.68 118.56 1j5i s LEU 67 Ca -0.01 -0.68 0.02 0.00 -0.22 0.00 0.00 54.13 53.24 1j5i s LEU 67 Cb -0.02 2.20 -0.04 0.00 0.50 0.00 0.00 46.19 48.83 1j5i s LEU 67 CO -0.00 -1.06 0.01 0.28 -1.32 0.00 0.00 176.35 174.26 1j5i s THR 68 N -2.42 4.21 -1.08 3.68 -1.32 -1.26 -1.55 115.64 115.90 1j5i s THR 68 Ca 0.19 -0.64 -0.16 0.00 -1.21 0.00 0.00 61.69 59.86 1j5i s THR 68 Cb -0.03 -2.91 0.15 0.00 -1.51 0.00 0.00 72.50 68.20 1j5i s THR 68 CO 0.05 0.32 1.31 0.54 -2.21 0.00 0.00 174.62 174.64 1j5i s VAL 69 N -1.14 4.83 -1.24 5.08 0.11 0.80 -4.91 120.40 123.93 1j5i s VAL 69 Ca 0.21 -2.08 -0.13 0.00 -2.93 0.00 0.00 61.98 57.04 1j5i s VAL 69 Cb -0.12 -4.87 0.16 0.00 -1.53 0.00 0.00 36.38 30.02 1j5i s VAL 69 CO 0.12 -1.59 1.57 0.54 -3.33 0.00 0.00 175.10 172.42 1j5i n ARG 70 N 6.24 3.38 -0.33 1.54 1.74 -1.26 -3.44 116.66 124.53 1j5i n ARG 70 Ca 0.31 -3.69 0.32 0.00 -0.77 0.00 0.00 57.85 54.02 1j5i n ARG 70 Cb 0.46 -3.08 0.59 0.00 -1.02 0.00 0.00 32.46 29.40 1j5i n ARG 70 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 1j5i h ARG 71 N 6.90 0.02 -6.07 5.56 2.43 -1.91 -3.32 114.38 118.00 1j5i h ARG 71 Ca 0.36 -0.00 -0.59 0.00 -0.81 0.00 0.00 59.98 58.93 1j5i h ARG 71 Cb 0.82 -0.00 -0.09 0.00 -0.42 0.00 0.00 29.97 30.28 1j5i h ARG 71 CO 1.36 0.01 0.61 -1.54 -1.51 0.00 0.00 179.97 178.90 1j5i s SER 72 N -4.54 6.72 0.06 -3.80 1.04 -1.24 -0.80 113.70 111.15 1j5i s SER 72 Ca -0.09 0.68 -0.26 0.00 0.48 0.00 0.00 55.95 56.76 1j5i s SER 72 Cb 0.34 -2.47 0.07 0.00 0.10 0.00 0.00 66.02 64.05 1j5i s SER 72 CO 0.78 -0.82 0.61 0.72 0.98 0.00 0.00 173.24 175.51 1j5i s PHE 73 N 3.41 -0.55 -0.86 5.02 -0.12 -0.53 -4.90 117.98 119.44 1j5i s PHE 73 Ca 0.38 0.64 -0.21 0.00 -0.05 0.00 0.00 56.93 57.69 1j5i s PHE 73 Cb -0.12 0.46 0.09 0.00 -0.63 0.00 0.00 43.02 42.82 1j5i s PHE 73 CO 0.17 -0.72 1.15 -2.00 -0.05 0.00 0.00 175.22 173.77 1j5i s GLU 74 N -2.57 3.44 0.77 1.99 2.56 -1.25 -0.30 118.70 123.35 1j5i s GLU 74 Ca -0.05 -1.32 -0.16 0.00 0.00 0.00 0.00 54.97 53.45 1j5i s GLU 74 Cb -0.01 -4.77 -0.04 0.00 2.00 0.00 0.00 34.13 31.31 1j5i s GLU 74 CO -0.02 -1.88 0.38 0.41 -0.56 0.00 0.00 175.26 173.58 1j5i n GLY 75 N 5.70 -1.93 2.69 -1.50 0.00 0.29 -3.89 105.19 106.55 1j5i n GLY 75 Ca 0.17 -0.47 -0.22 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.01 -0.10 0.08 1.61 2.19 0.15 -1.41 117.98 118.49 1j5i s PHE 76 Ca 0.62 -0.12 -0.37 0.00 0.33 0.00 0.00 56.93 57.39 1j5i s PHE 76 Cb -0.32 -0.53 -0.17 0.00 -1.31 0.00 0.00 43.02 40.69 1j5i s PHE 76 CO 0.62 -0.65 1.37 1.28 1.83 0.00 0.00 175.22 179.66 1j5i n LEU 77 N 5.30 1.75 0.00 6.12 4.77 0.18 -0.61 117.00 134.51 1j5i n LEU 77 Ca -0.05 1.12 0.21 0.00 -0.03 0.00 0.00 56.01 57.25 1j5i n LEU 77 Cb 0.48 -1.20 0.71 0.00 -2.33 0.00 0.00 43.42 41.07 1j5i n LEU 77 CO 0.07 -0.98 1.19 0.15 -1.33 0.00 0.00 177.39 176.49 1j5i h PHE 78 N 4.72 0.00 -0.16 -1.77 3.57 -0.41 -0.67 116.94 122.22 1j5i h PHE 78 Ca -0.48 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.06 1j5i h PHE 78 Cb 1.33 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 40.03 1j5i h PHE 78 CO 0.61 0.00 -0.09 0.22 -2.23 0.00 0.00 178.31 176.81 1j5i h ASP 79 N 0.00 -0.30 0.00 0.41 3.58 -1.87 -3.46 116.42 114.78 1j5i h ASP 79 Ca 0.26 0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.78 1j5i h ASP 79 Cb 1.07 0.16 0.00 0.00 1.72 0.00 0.00 39.33 42.28 1j5i h ASP 79 CO -0.00 -0.12 0.00 0.61 -2.88 0.00 0.00 179.24 176.84 1j5i n GLY 80 N -1.24 0.46 3.76 -0.78 0.00 -0.26 -5.14 105.19 102.00 1j5i n GLY 80 Ca -0.03 0.00 -0.39 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 3.66 -0.03 2.61 2.01 -1.24 -4.83 115.64 117.83 1j5i s THR 81 Ca 0.00 1.59 -0.14 0.00 0.31 0.00 0.00 61.69 63.45 1j5i s THR 81 Cb 0.00 -3.98 -0.05 0.00 0.01 0.00 0.00 72.50 68.48 1j5i s THR 81 CO 0.00 0.31 0.39 -0.60 -0.69 0.00 0.00 174.62 174.03 1j5i s ARG 82 N -1.61 3.93 0.00 4.92 3.52 -1.26 0.51 118.95 128.96 1j5i s ARG 82 Ca 0.46 0.36 0.00 0.00 -0.13 0.00 0.00 55.73 56.42 1j5i s ARG 82 Cb -0.29 -3.24 0.00 0.00 -1.56 0.00 0.00 34.95 29.86 1j5i s ARG 82 CO 0.36 0.64 0.00 1.87 -0.81 0.00 0.00 175.30 177.36 1j5i n TRP 83 N 2.05 0.00 0.00 5.12 -0.00 -0.50 -4.84 117.44 119.27 1j5i n TRP 83 Ca -0.14 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.36 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 3.38 1.19 5.00 5.87 0.00 -0.78 -4.78 105.19 115.06 1j5i n GLY 84 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.72 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 0.10 114.28 114.69 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 -1.54 12.58 0.31 0.59 -4.67 118.33 125.60 1j5i n VAL 86 Ca 0.00 0.00 -0.15 0.00 -0.01 0.00 0.00 64.34 64.18 1j5i n VAL 86 Cb 0.00 0.00 -0.12 0.00 -0.91 0.00 0.00 33.84 32.81 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 8.71 0.82 -3.17 4.52 2.03 -1.26 -1.46 116.55 126.74 1j5i n ASP 87 Ca 0.00 -1.26 -0.28 0.00 0.52 0.00 0.00 54.79 53.78 1j5i n ASP 87 Cb 0.00 -1.33 -0.03 0.00 -0.72 0.00 0.00 41.12 39.04 1j5i n ASP 87 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1j5i n THR 89 N 3.88 0.68 -0.07 0.00 5.66 -1.26 -4.53 114.28 118.64 1j5i n THR 89 Ca 0.57 -0.66 -0.21 0.00 -3.05 0.00 0.00 64.05 60.70 1j5i n THR 89 Cb 0.20 -0.23 -0.12 0.00 -1.55 0.00 0.00 70.33 68.62 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 0.91 -3.36 1.09 2.02 -1.99 -3.47 112.91 108.12 1j5i h THR 90 Ca -0.27 -2.24 -0.55 0.00 0.77 0.00 0.00 66.41 64.12 1j5i h THR 90 Cb 1.60 2.38 -0.04 0.00 -1.74 0.00 0.00 68.15 70.35 1j5i h THR 90 CO 0.01 0.48 -0.11 0.00 0.37 0.00 0.00 175.52 176.28 1j5i s ALA 91 N -2.41 3.58 -0.29 6.16 0.00 -1.26 -5.04 121.76 122.50 1j5i s ALA 91 Ca -0.26 -0.20 -0.22 0.00 0.00 0.00 0.00 51.96 51.27 1j5i s ALA 91 Cb 0.05 -2.47 -0.01 0.00 0.00 0.00 0.00 23.12 20.70 1j5i s ALA 91 CO 0.65 0.48 0.73 0.00 0.00 0.00 0.00 175.76 177.62 1j5i s ALA 92 N -1.61 3.56 -0.21 0.00 0.00 -1.26 -4.82 121.76 117.42 1j5i s ALA 92 Ca 0.41 -0.45 -0.18 0.00 0.00 0.00 0.00 51.96 51.74 1j5i s ALA 92 Cb -0.13 -3.20 -0.03 0.00 0.00 0.00 0.00 23.12 19.75 1j5i s ALA 92 CO 0.20 -1.07 0.51 0.00 0.00 0.00 0.00 175.76 175.40 1j5i s GLN 94 N 1.79 3.58 -0.54 0.00 -0.21 -0.50 -1.03 119.66 122.73 1j5i s GLN 94 Ca 0.23 -0.44 -0.23 0.00 0.02 0.00 0.00 55.36 54.94 1j5i s GLN 94 Cb -0.15 -3.80 0.04 0.00 1.00 0.00 0.00 33.01 30.10 1j5i s GLN 94 CO 0.09 -0.49 0.88 0.08 -2.12 0.00 0.00 175.29 173.73 1j5i s VAL 95 N 1.96 4.49 0.32 1.09 1.01 -0.49 -0.28 120.40 128.50 1j5i s VAL 95 Ca 0.11 0.12 -0.10 0.00 0.00 0.00 0.00 61.98 62.11 1j5i s VAL 95 Cb -0.17 -4.49 0.02 0.00 0.00 0.00 0.00 36.38 31.74 1j5i s VAL 95 CO 0.11 -1.05 0.57 -0.83 0.00 0.00 0.00 175.10 173.91 1j5i s GLY 96 N 2.81 0.80 -0.18 4.51 0.00 -0.29 -1.23 107.32 113.74 1j5i s GLY 96 Ca 0.27 -1.04 -0.05 0.00 0.00 0.00 0.00 44.72 43.90 1j5i s GLY 96 CO 0.18 -0.64 0.01 0.48 0.00 0.00 0.00 173.10 173.13 1j5i s LEU 97 N -3.10 3.46 0.50 0.66 2.34 -1.26 -0.05 118.68 121.22 1j5i s LEU 97 Ca 0.23 -0.08 -0.04 0.00 0.06 0.00 0.00 54.13 54.30 1j5i s LEU 97 Cb -0.02 -1.86 -0.01 0.00 -0.56 0.00 0.00 46.19 43.73 1j5i s LEU 97 CO 0.14 0.13 0.77 -0.94 -1.06 0.00 0.00 176.35 175.39 1j5i s SER 98 N 0.59 5.94 0.43 1.48 1.04 0.60 -4.59 113.70 119.19 1j5i s SER 98 Ca 0.00 0.65 -0.05 0.00 0.48 0.00 0.00 55.95 57.04 1j5i s SER 98 Cb -0.14 -1.88 -0.04 0.00 0.10 0.00 0.00 66.02 64.07 1j5i s SER 98 CO 0.02 -0.74 0.72 -1.81 0.98 0.00 0.00 173.24 172.41 1j5i s ASP 99 N -4.19 6.31 0.00 7.02 1.01 0.16 -1.77 116.67 125.20 1j5i s ASP 99 Ca 0.49 0.84 0.30 0.00 0.71 0.00 0.00 52.55 54.89 1j5i s ASP 99 Cb -0.10 -2.21 1.77 0.00 1.01 0.00 0.00 42.92 43.39 1j5i s ASP 99 CO 0.42 -0.48 2.12 0.00 0.21 0.00 0.00 175.17 177.45 1j5i n ALA 100 N -1.97 2.65 -1.16 5.23 0.00 -1.26 -4.24 120.51 119.75 1j5i n ALA 100 Ca -0.00 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1j5i n ALA 100 Cb 0.55 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 18.52 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 -0.98 0.00 -2.07 0.00 0.00 -1.26 -5.01 120.51 111.20 1j5i n ALA 101 Ca 0.22 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.64 1j5i n ALA 101 Cb 0.10 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.56 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 2.99 0.02 3.21 0.00 0.00 -1.26 -5.15 105.19 105.00 1j5i n GLY 102 Ca 0.00 -0.03 -0.09 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.41 0.06 -0.37 1.61 0.01 -1.26 -5.06 114.94 109.51 1j5i s ASN 103 Ca 0.02 -0.53 0.02 0.00 -0.71 0.00 0.00 52.86 51.66 1j5i s ASN 103 Cb 0.08 0.34 0.29 0.00 0.41 0.00 0.00 41.25 42.37 1j5i s ASN 103 CO -0.02 -0.69 1.22 0.61 -1.51 0.00 0.00 177.10 176.71 1j5i n GLY 104 N 0.14 -1.04 0.00 0.66 0.00 -1.26 -0.67 105.19 103.03 1j5i n GLY 104 Ca -0.16 0.68 0.10 0.00 0.00 0.00 0.00 46.02 46.64 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 0.75 -3.11 1.61 -0.04 -1.26 -4.77 135.00 129.19 1j5i n PRO 105 Ca 0.01 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.11 1j5i n PRO 105 Cb 0.71 -1.44 -0.06 0.00 -0.04 0.00 0.00 33.50 32.67 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 -2.00 4.25 0.00 0.54 8.01 -1.26 -4.98 118.70 123.26 1j5i s GLU 106 Ca 0.31 0.86 0.00 0.00 0.01 0.00 0.00 54.97 56.15 1j5i s GLU 106 Cb 0.14 -2.91 0.00 0.00 -4.31 0.00 0.00 34.13 27.06 1j5i s GLU 106 CO 0.24 0.41 0.00 0.41 0.01 0.00 0.00 175.26 176.33 1j5i n GLY 107 N 0.79 3.84 3.70 -1.39 0.00 -1.26 -4.08 105.19 106.78 1j5i n GLY 107 Ca -0.03 -0.38 -0.38 0.00 0.00 0.00 0.00 46.02 45.23 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 -0.04 5.21 -0.85 1.61 0.11 -0.36 -4.30 120.40 121.79 1j5i s VAL 108 Ca 0.00 0.76 -0.26 0.00 -2.93 0.00 0.00 61.98 59.55 1j5i s VAL 108 Cb 0.00 -3.74 -0.14 0.00 -1.53 0.00 0.00 36.38 30.97 1j5i s VAL 108 CO 0.00 0.29 2.32 0.00 -3.33 0.00 0.00 175.10 174.39 1j5i s ALA 109 N 0.98 0.75 0.31 1.54 0.00 -1.26 -1.39 121.76 122.69 1j5i s ALA 109 Ca 0.21 -0.97 -0.16 0.00 0.00 0.00 0.00 51.96 51.03 1j5i s ALA 109 Cb -0.14 -4.59 -0.09 0.00 0.00 0.00 0.00 23.12 18.29 1j5i s ALA 109 CO 0.08 -5.96 0.75 -1.50 0.00 0.00 0.00 175.76 169.13 1j5i s ILE 110 N 14.66 4.63 0.00 0.00 2.07 -0.20 -4.65 121.20 137.71 1j5i s ILE 110 Ca 0.89 1.05 0.00 0.00 -1.41 0.00 0.00 60.65 61.18 1j5i s ILE 110 Cb -0.11 -3.66 0.00 0.00 0.13 0.00 0.00 42.46 38.82 1j5i s ILE 110 CO 0.08 -0.11 0.00 -1.54 -1.91 0.00 0.00 174.94 171.46 1j5i n SER 111 N -0.16 0.00 -3.66 4.50 3.41 -0.84 -3.84 113.62 113.03 1j5i n SER 111 Ca 0.03 0.00 -0.07 0.00 -0.26 0.00 0.00 58.87 58.56 1j5i n SER 111 Cb 0.53 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.39 1j5i n SER 111 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1j5i s PHE 112 N 0.00 -0.90 -0.54 7.33 5.36 -1.16 -1.76 117.98 126.32 1j5i s PHE 112 Ca 0.00 1.68 0.00 0.00 -0.96 0.00 0.00 56.93 57.65 1j5i s PHE 112 Cb 0.00 0.41 0.00 0.00 -0.34 0.00 0.00 43.02 43.09 1j5i s PHE 112 CO 0.00 -0.51 0.13 0.27 -1.46 0.00 0.00 175.22 173.66