#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 -3.13 -2.30 0.00 0.00 -1.26 -5.09 120.51 108.72 1j5i n ALA 2 Ca 0.00 -0.40 -0.35 0.00 0.00 0.00 0.00 53.44 52.69 1j5i n ALA 2 Cb 0.00 -3.12 -0.04 0.00 0.00 0.00 0.00 19.45 16.29 1j5i n ALA 2 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1j5i s PRO 3 N 0.04 3.05 2.61 0.00 0.04 -1.26 -4.46 135.00 135.01 1j5i s PRO 3 Ca 0.20 -0.55 0.00 0.00 0.04 0.00 0.00 61.00 60.69 1j5i s PRO 3 Cb 0.30 -5.05 0.00 0.00 0.04 0.00 0.00 34.50 29.79 1j5i s PRO 3 CO -0.20 -2.73 0.00 0.25 0.04 0.00 0.00 177.00 174.36 1j5i n THR 4 N 7.28 0.00 -2.98 1.26 -2.24 -0.86 -4.03 114.28 112.71 1j5i n THR 4 Ca 0.32 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.69 1j5i n THR 4 Cb 0.49 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.67 1j5i n THR 4 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1j5i s ALA 5 N -1.02 3.58 0.03 6.98 0.00 -1.22 0.21 121.76 130.32 1j5i s ALA 5 Ca 0.00 -0.36 0.04 0.00 0.00 0.00 0.00 51.96 51.64 1j5i s ALA 5 Cb 0.00 -3.23 -0.02 0.00 0.00 0.00 0.00 23.12 19.88 1j5i s ALA 5 CO 0.00 -1.03 -0.12 0.95 0.00 0.00 0.00 175.76 175.56 1j5i s THR 6 N 2.80 0.92 -0.23 0.00 -4.23 -0.24 -4.61 115.64 110.07 1j5i s THR 6 Ca 0.31 -0.85 -0.15 0.00 -1.18 0.00 0.00 61.69 59.82 1j5i s THR 6 Cb -0.15 -0.84 -0.04 0.00 1.34 0.00 0.00 72.50 72.81 1j5i s THR 6 CO 0.10 0.00 0.37 -0.69 -0.54 0.00 0.00 174.62 173.87 1j5i s VAL 7 N -0.76 5.20 0.00 2.29 1.01 -1.26 -0.57 120.40 126.32 1j5i s VAL 7 Ca 0.00 0.62 -0.01 0.00 0.00 0.00 0.00 61.98 62.59 1j5i s VAL 7 Cb -0.07 -3.70 -0.01 0.00 0.00 0.00 0.00 36.38 32.60 1j5i s VAL 7 CO 0.01 0.22 1.02 0.74 0.00 0.00 0.00 175.10 177.09 1j5i h THR 8 N 5.16 0.00 0.00 3.92 2.02 -1.76 -3.17 112.91 119.08 1j5i h THR 8 Ca -0.34 0.00 -0.38 0.00 0.77 0.00 0.00 66.41 66.45 1j5i h THR 8 Cb 1.16 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 67.57 1j5i h THR 8 CO 0.69 0.00 2.04 -0.81 0.37 0.00 0.00 175.52 177.81 1j5i n PRO 9 N -2.13 2.35 -0.07 6.66 -0.04 -1.26 -4.32 135.00 136.18 1j5i n PRO 9 Ca -0.01 -1.43 0.11 0.00 -0.04 0.00 0.00 63.50 62.13 1j5i n PRO 9 Cb 0.02 -2.36 0.39 0.00 -0.04 0.00 0.00 33.50 31.51 1j5i n PRO 9 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1j5i n SER 10 N 3.50 1.59 -4.80 3.54 2.88 -1.20 -4.48 113.62 114.64 1j5i n SER 10 Ca 0.50 -1.69 -0.36 0.00 -1.33 0.00 0.00 58.87 55.99 1j5i n SER 10 Cb 0.35 -0.10 -0.07 0.00 -0.75 0.00 0.00 64.21 63.64 1j5i n SER 10 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1j5i s SER 11 N -1.58 6.22 -1.04 -3.46 0.15 -1.26 -1.78 113.70 110.96 1j5i s SER 11 Ca 0.32 0.34 -0.00 0.00 0.70 0.00 0.00 55.95 57.31 1j5i s SER 11 Cb 0.17 -2.04 0.00 0.00 -1.71 0.00 0.00 66.02 62.44 1j5i s SER 11 CO 0.26 0.31 0.00 0.61 1.20 0.00 0.00 173.24 175.62 1j5i n GLY 12 N 2.64 -0.08 3.10 9.45 0.00 0.51 -4.86 105.19 115.95 1j5i n GLY 12 Ca -0.18 0.12 -0.25 0.00 0.00 0.00 0.00 46.02 45.71 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 -3.40 0.00 -4.09 0.99 -0.00 -0.88 -5.04 117.00 104.57 1j5i n LEU 13 Ca -0.22 -1.11 -0.14 0.00 -0.00 0.00 0.00 56.01 54.54 1j5i n LEU 13 Cb 0.47 -0.85 -0.11 0.00 -0.00 0.00 0.00 43.42 42.92 1j5i n LEU 13 CO 0.57 -1.62 -0.41 -0.55 -0.00 0.00 0.00 177.39 175.38 1j5i s SER 14 N -4.57 1.06 -0.90 1.45 0.15 -1.26 -4.99 113.70 104.63 1j5i s SER 14 Ca 0.62 -0.59 -0.26 0.00 0.70 0.00 0.00 55.95 56.41 1j5i s SER 14 Cb -0.04 0.02 -0.16 0.00 -1.71 0.00 0.00 66.02 64.14 1j5i s SER 14 CO 0.45 -0.19 2.27 1.51 1.20 0.00 0.00 173.24 178.48 1j5i s ASP 15 N -1.70 3.87 0.00 5.45 -4.77 -1.26 -0.66 116.67 117.60 1j5i s ASP 15 Ca -0.07 -0.38 0.00 0.00 -3.30 0.00 0.00 52.55 48.80 1j5i s ASP 15 Cb -0.09 -2.57 0.00 0.00 -1.09 0.00 0.00 42.92 39.17 1j5i s ASP 15 CO 0.01 -4.05 0.00 0.61 0.70 0.00 0.00 175.17 172.43 1j5i n GLY 16 N 6.59 1.80 3.76 2.12 0.00 0.38 -4.73 105.19 115.11 1j5i n GLY 16 Ca 0.45 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.10 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 -1.98 5.24 -0.44 2.61 2.01 0.16 -4.76 115.64 118.47 1j5i s THR 17 Ca 0.00 0.66 -0.28 0.00 0.31 0.00 0.00 61.69 62.38 1j5i s THR 17 Cb 0.00 -3.67 0.00 0.00 0.01 0.00 0.00 72.50 68.85 1j5i s THR 17 CO 0.00 0.43 1.50 -0.69 -0.69 0.00 0.00 174.62 175.18 1j5i s VAL 18 N 0.07 3.77 0.22 3.82 1.01 -1.26 -0.68 120.40 127.35 1j5i s VAL 18 Ca 0.20 0.75 0.09 0.00 0.00 0.00 0.00 61.98 63.02 1j5i s VAL 18 Cb -0.14 -4.15 -0.04 0.00 0.00 0.00 0.00 36.38 32.05 1j5i s VAL 18 CO 0.07 -0.80 -0.06 0.68 0.00 0.00 0.00 175.10 174.98 1j5i s VAL 19 N 6.03 3.26 -0.33 2.92 -7.23 0.14 -4.89 120.40 120.30 1j5i s VAL 19 Ca 0.63 -1.80 -0.11 0.00 -1.81 0.00 0.00 61.98 58.89 1j5i s VAL 19 Cb -0.14 -2.67 0.00 0.00 0.56 0.00 0.00 36.38 34.12 1j5i s VAL 19 CO 0.30 -0.23 0.18 -0.75 -0.31 0.00 0.00 175.10 174.29 1j5i s LYS 20 N -3.21 3.23 -0.66 4.82 2.20 -1.26 -0.99 119.74 123.86 1j5i s LYS 20 Ca 0.28 -0.80 -0.20 0.00 -0.36 0.00 0.00 55.97 54.89 1j5i s LYS 20 Cb -0.08 -3.65 0.10 0.00 -1.51 0.00 0.00 37.83 32.70 1j5i s LYS 20 CO 0.17 -0.49 0.84 0.08 -0.36 0.00 0.00 175.35 175.58 1j5i s VAL 21 N 1.62 4.70 -0.40 4.02 1.01 0.35 -1.96 120.40 129.73 1j5i s VAL 21 Ca 0.04 -0.95 -0.22 0.00 0.00 0.00 0.00 61.98 60.85 1j5i s VAL 21 Cb -0.18 -4.58 0.02 0.00 0.00 0.00 0.00 36.38 31.64 1j5i s VAL 21 CO 0.07 -1.27 0.73 0.00 0.00 0.00 0.00 175.10 174.64 1j5i s ALA 22 N 2.97 3.38 -0.78 5.51 0.00 0.27 -0.31 121.76 132.79 1j5i s ALA 22 Ca 0.17 -0.89 -0.19 0.00 0.00 0.00 0.00 51.96 51.05 1j5i s ALA 22 Cb -0.19 -3.35 0.12 0.00 0.00 0.00 0.00 23.12 19.69 1j5i s ALA 22 CO 0.05 -1.65 0.97 0.20 0.00 0.00 0.00 175.76 175.33 1j5i s GLY 23 N 1.96 1.80 -0.84 0.00 0.00 0.24 -1.07 107.32 109.40 1j5i s GLY 23 Ca 0.28 -2.45 -0.15 0.00 0.00 0.00 0.00 44.72 42.40 1j5i s GLY 23 CO 0.19 1.89 0.84 0.00 0.00 0.00 0.00 173.10 176.02 1j5i s ALA 24 N 2.88 3.89 0.00 3.20 0.00 0.57 -1.24 121.76 131.06 1j5i s ALA 24 Ca 0.25 -3.15 0.00 0.00 0.00 0.00 0.00 51.96 49.05 1j5i s ALA 24 Cb -0.12 -3.64 0.00 0.00 0.00 0.00 0.00 23.12 19.36 1j5i s ALA 24 CO -0.01 -2.44 0.00 0.41 0.00 0.00 0.00 175.76 173.72 1j5i n GLY 25 N 4.38 1.12 0.00 0.00 0.00 -0.69 -2.02 105.19 107.98 1j5i n GLY 25 Ca 0.15 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.07 0.00 -1.76 0.99 7.94 -0.60 -4.57 117.00 118.93 1j5i n LEU 26 Ca 0.00 0.00 -0.10 0.00 -1.11 0.00 0.00 56.01 54.80 1j5i n LEU 26 Cb 0.08 0.00 0.01 0.00 0.53 0.00 0.00 43.42 44.04 1j5i n LEU 26 CO 0.00 0.00 1.16 1.67 -1.11 0.00 0.00 177.39 179.11 1j5i n GLN 27 N 0.00 1.50 -0.03 1.96 -0.06 -1.26 -4.66 117.38 114.83 1j5i n GLN 27 Ca 0.00 -0.89 0.00 0.00 -2.00 0.00 0.00 57.00 54.11 1j5i n GLN 27 Cb 0.00 -1.40 0.00 0.00 -4.06 0.00 0.00 30.24 24.78 1j5i n GLN 27 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1j5i n ALA 28 N 0.99 0.00 0.00 1.69 0.00 -1.26 -1.91 120.51 120.03 1j5i n ALA 28 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.63 1j5i n ALA 28 Cb 0.56 -0.12 0.00 0.00 0.00 0.00 0.00 19.45 19.89 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 -2.00 0.37 0.00 0.00 0.00 -1.24 -1.74 105.19 100.58 1j5i n GLY 29 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -4.27 2.61 -1.04 -0.80 -2.98 114.28 107.80 1j5i n THR 30 Ca 0.00 0.00 -0.20 0.00 -2.04 0.00 0.00 64.05 61.81 1j5i n THR 30 Cb 0.00 0.00 -0.16 0.00 -1.82 0.00 0.00 70.33 68.35 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 -2.07 0.76 0.00 2.41 0.00 -1.26 -1.69 121.76 119.90 1j5i s ALA 31 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 51.96 51.80 1j5i s ALA 31 Cb 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 23.12 22.73 1j5i s ALA 31 CO 0.00 0.05 0.00 0.66 0.00 0.00 0.00 175.76 176.47 1j5i n TYR 32 N 3.76 0.00 -3.93 0.00 4.02 0.13 -4.60 117.16 116.55 1j5i n TYR 32 Ca -0.23 0.00 -0.28 0.00 -0.01 0.00 0.00 57.90 57.39 1j5i n TYR 32 Cb 0.52 0.00 -0.17 0.00 -0.02 0.00 0.00 39.34 39.67 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 -0.37 2.31 -0.14 7.72 -1.08 0.20 -1.36 116.67 123.96 1j5i s ASP 33 Ca 0.00 -0.35 -0.29 0.00 -0.52 0.00 0.00 52.55 51.38 1j5i s ASP 33 Cb 0.00 -0.92 -0.01 0.00 -1.46 0.00 0.00 42.92 40.53 1j5i s ASP 33 CO 0.00 -0.11 1.14 -0.69 0.52 0.00 0.00 175.17 176.04 1j5i s VAL 34 N 1.66 4.47 -0.30 1.11 1.01 -0.71 0.48 120.40 128.11 1j5i s VAL 34 Ca 0.05 1.77 -0.08 0.00 0.00 0.00 0.00 61.98 63.72 1j5i s VAL 34 Cb -0.13 -4.14 0.16 0.00 0.00 0.00 0.00 36.38 32.27 1j5i s VAL 34 CO -0.09 -0.08 0.71 -0.83 0.00 0.00 0.00 175.10 174.81 1j5i s GLY 35 N 1.48 -0.72 -0.64 4.51 0.00 0.29 -0.73 107.32 111.51 1j5i s GLY 35 Ca 0.51 2.31 -0.27 0.00 0.00 0.00 0.00 44.72 47.27 1j5i s GLY 35 CO 0.15 3.26 1.63 -0.86 0.00 0.00 0.00 173.10 177.29 1j5i s GLN 36 N 2.83 2.89 0.11 2.90 -2.07 -1.26 -3.85 119.66 121.21 1j5i s GLN 36 Ca 0.04 0.35 0.00 0.00 -1.82 0.00 0.00 55.36 53.94 1j5i s GLN 36 Cb -0.12 -4.29 -0.04 0.00 -1.09 0.00 0.00 33.01 27.47 1j5i s GLN 36 CO -0.19 -2.45 0.27 0.00 -1.32 0.00 0.00 175.29 171.60 1j5i n ALA 38 N -0.09 0.00 -1.71 0.00 0.00 -0.44 -1.31 120.51 116.95 1j5i n ALA 38 Ca -0.05 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.21 1j5i n ALA 38 Cb 0.52 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.88 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 1.37 0.07 0.00 1.48 -1.25 0.64 118.94 119.26 1j5i s TRP 39 Ca 0.00 1.84 -0.14 0.00 -1.06 0.00 0.00 56.10 56.73 1j5i s TRP 39 Cb 0.00 -3.50 -0.22 0.00 -1.16 0.00 0.00 33.47 28.58 1j5i s TRP 39 CO 0.00 -0.97 1.20 -0.24 -4.06 0.00 0.00 176.95 172.88 1j5i h VAL 40 N 6.80 1.29 -0.95 -0.66 3.04 -1.27 -3.43 116.25 121.07 1j5i h VAL 40 Ca 0.05 -2.20 0.00 0.00 -1.01 0.00 0.00 66.70 63.55 1j5i h VAL 40 Cb 0.99 2.35 0.00 0.00 -2.01 0.00 0.00 31.29 32.62 1j5i h VAL 40 CO 1.06 0.68 0.00 -0.67 -1.01 0.00 0.00 177.57 177.63 1j5i n ASP 41 N -3.90 0.00 -3.70 3.17 4.64 -1.17 -4.83 116.55 110.77 1j5i n ASP 41 Ca -0.11 0.00 -0.42 0.00 -1.38 0.00 0.00 54.79 52.88 1j5i n ASP 41 Cb 0.85 0.00 -0.01 0.00 -1.04 0.00 0.00 41.12 40.92 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 0.00 3.05 -1.13 5.18 -1.04 -1.26 -3.81 114.28 115.27 1j5i n THR 42 Ca 0.00 -2.66 0.00 0.00 -2.04 0.00 0.00 64.05 59.35 1j5i n THR 42 Cb 0.00 -2.54 0.00 0.00 -1.82 0.00 0.00 70.33 65.97 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 4.20 0.43 3.35 3.41 0.00 -1.26 -5.02 105.19 110.30 1j5i n GLY 43 Ca 0.51 -0.99 -0.40 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.00 4.42 -1.13 1.61 1.01 -1.25 -4.91 120.40 118.16 1j5i s VAL 44 Ca 0.00 -0.98 -0.25 0.00 0.00 0.00 0.00 61.98 60.75 1j5i s VAL 44 Cb 0.00 -3.51 -0.18 0.00 0.00 0.00 0.00 36.38 32.69 1j5i s VAL 44 CO 0.00 -0.27 2.05 -0.22 0.00 0.00 0.00 175.10 176.66 1j5i s LEU 45 N 1.52 2.57 0.12 3.92 0.20 -1.26 -0.99 118.68 124.76 1j5i s LEU 45 Ca 0.01 -1.23 -0.11 0.00 0.69 0.00 0.00 54.13 53.49 1j5i s LEU 45 Cb -0.20 -2.60 -0.06 0.00 -0.43 0.00 0.00 46.19 42.90 1j5i s LEU 45 CO 0.06 -4.25 0.46 0.00 -0.29 0.00 0.00 176.35 172.32 1j5i s ALA 46 N 15.18 3.67 0.16 5.97 0.00 0.21 -3.54 121.76 143.40 1j5i s ALA 46 Ca 0.77 -0.31 0.01 0.00 0.00 0.00 0.00 51.96 52.43 1j5i s ALA 46 Cb -0.03 -2.36 -0.04 0.00 0.00 0.00 0.00 23.12 20.69 1j5i s ALA 46 CO 0.17 0.53 0.32 0.00 0.00 0.00 0.00 175.76 176.78 1j5i s ASN 48 N -3.12 6.15 0.00 0.00 0.01 -0.95 -0.78 114.94 116.25 1j5i s ASN 48 Ca 0.36 0.15 0.08 0.00 -0.71 0.00 0.00 52.86 52.74 1j5i s ASN 48 Cb -0.11 -2.12 0.47 0.00 0.41 0.00 0.00 41.25 39.89 1j5i s ASN 48 CO 0.29 0.03 1.09 -0.81 -1.51 0.00 0.00 177.10 176.19 1j5i n PRO 49 N 4.40 0.75 0.00 -0.60 -0.04 -1.25 -1.97 135.00 136.28 1j5i n PRO 49 Ca -0.14 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.44 1j5i n PRO 49 Cb 0.52 -1.16 0.08 0.00 -0.04 0.00 0.00 33.50 32.89 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 -0.66 2.82 0.08 0.55 0.00 -1.26 -4.06 120.51 117.98 1j5i n ALA 50 Ca 0.06 -0.67 0.03 0.00 0.00 0.00 0.00 53.44 52.86 1j5i n ALA 50 Cb 0.03 -0.81 -0.04 0.00 0.00 0.00 0.00 19.45 18.62 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 0.88 2.60 -4.52 0.00 -0.08 -0.83 -4.65 116.55 109.93 1j5i n ASP 51 Ca 0.13 -0.20 -0.39 0.00 -1.51 0.00 0.00 54.79 52.82 1j5i n ASP 51 Cb 0.55 1.18 -0.07 0.00 2.34 0.00 0.00 41.12 45.12 1j5i n ASP 51 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 1j5i n PHE 52 N -1.52 1.16 -3.26 -0.67 3.01 -0.99 -3.88 117.46 111.31 1j5i n PHE 52 Ca -0.00 0.22 -0.05 0.00 1.01 0.00 0.00 57.45 58.63 1j5i n PHE 52 Cb 0.13 -2.54 -0.04 0.00 -0.01 0.00 0.00 39.48 37.01 1j5i n PHE 52 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1j5i s SER 53 N 10.67 -0.30 0.53 4.37 0.15 0.09 -4.95 113.70 124.26 1j5i s SER 53 Ca 1.12 -0.02 -0.20 0.00 0.70 0.00 0.00 55.95 57.55 1j5i s SER 53 Cb -0.60 1.44 -0.09 0.00 -1.71 0.00 0.00 66.02 65.05 1j5i s SER 53 CO 0.36 -0.32 0.63 -1.54 1.20 0.00 0.00 173.24 173.56 1j5i n SER 54 N 5.38 -0.56 -3.82 5.45 3.41 -1.26 -1.74 113.62 120.47 1j5i n SER 54 Ca 0.01 0.81 -0.09 0.00 -0.26 0.00 0.00 58.87 59.34 1j5i n SER 54 Cb 0.51 -1.20 -0.04 0.00 -0.26 0.00 0.00 64.21 63.22 1j5i n SER 54 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1j5i s VAL 55 N -1.60 0.01 0.04 -3.33 0.11 -0.46 -4.77 120.40 110.40 1j5i s VAL 55 Ca 0.68 -0.97 -0.06 0.00 -2.93 0.00 0.00 61.98 58.69 1j5i s VAL 55 Cb -0.49 -1.81 -0.01 0.00 -1.53 0.00 0.00 36.38 32.55 1j5i s VAL 55 CO 0.55 -0.07 0.11 -0.89 -3.33 0.00 0.00 175.10 171.47 1j5i s THR 56 N -3.92 0.13 0.02 5.04 2.01 -1.26 0.19 115.64 117.85 1j5i s THR 56 Ca 0.13 -1.09 0.01 0.00 0.31 0.00 0.00 61.69 61.05 1j5i s THR 56 Cb -0.02 -0.94 -0.04 0.00 0.01 0.00 0.00 72.50 71.51 1j5i s THR 56 CO 0.02 -0.60 0.06 0.00 -0.69 0.00 0.00 174.62 173.41 1j5i s ALA 57 N -2.72 3.51 0.93 7.40 0.00 -0.68 -4.41 121.76 125.78 1j5i s ALA 57 Ca -0.04 -0.93 -0.10 0.00 0.00 0.00 0.00 51.96 50.89 1j5i s ALA 57 Cb -0.00 -1.48 0.15 0.00 0.00 0.00 0.00 23.12 21.78 1j5i s ALA 57 CO -0.05 0.70 1.13 -0.51 0.00 0.00 0.00 175.76 177.02 1j5i s ASP 58 N -1.87 2.89 0.42 0.00 -0.00 0.18 -3.96 116.67 114.32 1j5i s ASP 58 Ca 0.24 2.06 0.30 0.00 -0.00 0.00 0.00 52.55 55.15 1j5i s ASP 58 Cb -0.12 -2.53 1.42 0.00 -0.00 0.00 0.00 42.92 41.70 1j5i s ASP 58 CO 0.15 -3.10 1.50 0.00 -0.00 0.00 0.00 175.17 173.72 1j5i n ALA 59 N -4.23 1.29 -0.55 5.23 0.00 -1.26 0.39 120.51 121.37 1j5i n ALA 59 Ca 0.10 0.85 -0.13 0.00 0.00 0.00 0.00 53.44 54.26 1j5i n ALA 59 Cb 0.52 -1.01 0.05 0.00 0.00 0.00 0.00 19.45 19.01 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 -4.67 5.36 -4.34 0.00 2.85 -1.26 -4.50 115.26 108.69 1j5i n ASN 60 Ca 0.39 -2.89 -0.37 0.00 -0.11 0.00 0.00 54.58 51.59 1j5i n ASN 60 Cb 1.49 -0.93 -0.06 0.00 1.24 0.00 0.00 39.78 41.52 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 0.26 -0.35 3.22 8.20 0.00 1.27 -4.61 105.19 113.17 1j5i n GLY 61 Ca 0.26 0.12 -0.41 0.00 0.00 0.00 0.00 46.02 45.99 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 -3.56 5.84 -1.05 1.61 0.01 -0.95 -1.56 113.70 114.04 1j5i s SER 62 Ca 0.59 -2.22 -0.05 0.00 1.31 0.00 0.00 55.95 55.57 1j5i s SER 62 Cb -0.33 -2.03 0.29 0.00 0.21 0.00 0.00 66.02 64.15 1j5i s SER 62 CO 0.98 -0.62 1.24 0.00 0.41 0.00 0.00 173.24 175.24 1j5i n ALA 63 N 4.49 4.64 -2.77 1.44 0.00 -0.37 0.51 120.51 128.45 1j5i n ALA 63 Ca -0.01 -4.74 -0.43 0.00 0.00 0.00 0.00 53.44 48.26 1j5i n ALA 63 Cb 0.41 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 17.63 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 1.87 5.36 -4.62 0.00 3.41 -1.25 0.82 113.62 119.22 1j5i n SER 64 Ca 0.25 -3.09 -0.33 0.00 -0.26 0.00 0.00 58.87 55.44 1j5i n SER 64 Cb 0.36 -1.48 -0.10 0.00 -0.26 0.00 0.00 64.21 62.73 1j5i n SER 64 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1j5i s THR 65 N 0.24 3.82 -0.12 6.66 2.01 0.58 -4.89 115.64 123.94 1j5i s THR 65 Ca 0.39 -0.66 -0.02 0.00 0.31 0.00 0.00 61.69 61.72 1j5i s THR 65 Cb 0.02 -2.65 -0.03 0.00 0.01 0.00 0.00 72.50 69.85 1j5i s THR 65 CO 0.01 0.43 -0.05 -0.94 -0.69 0.00 0.00 174.62 173.37 1j5i s SER 66 N -1.33 4.70 0.33 3.53 1.04 -1.26 0.13 113.70 120.84 1j5i s SER 66 Ca 0.17 -0.09 0.06 0.00 0.48 0.00 0.00 55.95 56.57 1j5i s SER 66 Cb -0.11 -1.52 -0.02 0.00 0.10 0.00 0.00 66.02 64.47 1j5i s SER 66 CO 0.07 0.26 0.31 0.18 0.98 0.00 0.00 173.24 175.04 1j5i n LEU 67 N 2.94 0.00 -4.50 2.42 7.99 -0.16 -4.93 117.00 120.76 1j5i n LEU 67 Ca -0.18 -3.01 -0.36 0.00 -0.01 0.00 0.00 56.01 52.45 1j5i n LEU 67 Cb 0.53 1.80 -0.12 0.00 -0.11 0.00 0.00 43.42 45.51 1j5i n LEU 67 CO 0.30 -0.54 -0.27 0.28 -1.51 0.00 0.00 177.39 175.65 1j5i s THR 68 N -3.21 4.44 -0.87 -5.08 -1.32 -1.26 0.27 115.64 108.62 1j5i s THR 68 Ca 0.37 -0.14 -0.20 0.00 -1.21 0.00 0.00 61.69 60.51 1j5i s THR 68 Cb 0.01 -3.06 0.11 0.00 -1.51 0.00 0.00 72.50 68.06 1j5i s THR 68 CO 0.26 0.37 1.11 0.54 -2.21 0.00 0.00 174.62 174.69 1j5i s VAL 69 N 1.30 4.55 -1.29 5.08 0.11 0.14 -4.79 120.40 125.49 1j5i s VAL 69 Ca 0.05 -1.18 -0.10 0.00 -2.93 0.00 0.00 61.98 57.82 1j5i s VAL 69 Cb -0.15 -4.78 0.16 0.00 -1.53 0.00 0.00 36.38 30.08 1j5i s VAL 69 CO 0.04 -1.53 1.87 0.54 -3.33 0.00 0.00 175.10 172.68 1j5i n ARG 70 N 7.07 3.54 -0.57 1.54 5.12 -1.26 -0.47 116.66 131.63 1j5i n ARG 70 Ca 0.17 -3.47 0.45 0.00 -1.93 0.00 0.00 57.85 53.07 1j5i n ARG 70 Cb 0.48 -2.97 0.75 0.00 -1.16 0.00 0.00 32.46 29.56 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 5.89 0.02 -5.39 5.56 2.43 -1.85 -3.33 114.38 117.71 1j5i h ARG 71 Ca 0.40 -0.00 -0.61 0.00 -0.81 0.00 0.00 59.98 58.97 1j5i h ARG 71 Cb 0.65 -0.01 -0.12 0.00 -0.42 0.00 0.00 29.97 30.08 1j5i h ARG 71 CO 1.62 0.01 -0.16 -1.12 -1.51 0.00 0.00 179.97 178.81 1j5i s SER 72 N -4.21 6.43 0.00 -3.80 0.01 -1.26 -1.35 113.70 109.52 1j5i s SER 72 Ca -0.06 0.50 0.00 0.00 1.31 0.00 0.00 55.95 57.70 1j5i s SER 72 Cb 0.28 -2.24 0.00 0.00 0.21 0.00 0.00 66.02 64.27 1j5i s SER 72 CO 0.86 -0.13 0.00 0.33 0.41 0.00 0.00 173.24 174.71 1j5i n PHE 73 N 4.77 0.00 -2.85 2.43 7.35 0.25 -4.91 117.46 124.50 1j5i n PHE 73 Ca -0.07 0.00 -0.43 0.00 -0.76 0.00 0.00 57.45 56.19 1j5i n PHE 73 Cb 0.51 0.00 -0.04 0.00 0.35 0.00 0.00 39.48 40.29 1j5i n PHE 73 CO 0.00 0.00 0.00 -2.00 -0.76 0.00 0.00 176.76 174.00 1j5i s GLU 74 N -2.00 3.61 0.47 -4.13 2.56 -1.23 -0.69 118.70 117.28 1j5i s GLU 74 Ca 0.00 0.23 -0.17 0.00 0.00 0.00 0.00 54.97 55.04 1j5i s GLU 74 Cb 0.00 -3.89 -0.09 0.00 2.00 0.00 0.00 34.13 32.16 1j5i s GLU 74 CO 0.00 -1.11 0.93 0.20 -0.56 0.00 0.00 175.26 174.72 1j5i s GLY 75 N 2.12 2.15 -0.08 -1.50 0.00 0.13 -3.89 107.32 106.24 1j5i s GLY 75 Ca 0.36 0.17 0.01 0.00 0.00 0.00 0.00 44.72 45.26 1j5i s GLY 75 CO 0.23 0.43 -0.11 -0.12 0.00 0.00 0.00 173.10 173.53 1j5i s PHE 76 N -2.44 1.52 0.37 1.90 2.19 0.03 -1.04 117.98 120.51 1j5i s PHE 76 Ca 0.58 -0.64 -0.28 0.00 0.33 0.00 0.00 56.93 56.92 1j5i s PHE 76 Cb -0.10 -1.16 -0.10 0.00 -1.31 0.00 0.00 43.02 40.36 1j5i s PHE 76 CO 0.26 -0.37 1.36 -0.51 1.83 0.00 0.00 175.22 177.78 1j5i s LEU 77 N 1.01 4.33 0.38 6.12 1.43 0.18 -0.44 118.68 131.69 1j5i s LEU 77 Ca -0.08 2.78 0.17 0.00 -1.03 0.00 0.00 54.13 55.98 1j5i s LEU 77 Cb -0.15 -3.73 0.75 0.00 0.03 0.00 0.00 46.19 43.09 1j5i s LEU 77 CO -0.01 -0.73 1.78 2.19 0.23 0.00 0.00 176.35 179.82 1j5i h PHE 78 N 3.06 0.00 -0.20 0.29 -5.15 -1.78 -3.09 116.94 110.07 1j5i h PHE 78 Ca -0.50 0.00 0.05 0.00 -0.20 0.00 0.00 57.97 57.32 1j5i h PHE 78 Cb 1.24 0.00 -0.05 0.00 0.22 0.00 0.00 35.95 37.36 1j5i h PHE 78 CO 0.54 0.37 -0.11 0.22 -2.00 0.00 0.00 178.31 177.33 1j5i h ASP 79 N 0.00 -0.37 0.00 -0.68 -0.00 -1.90 -3.46 116.42 110.01 1j5i h ASP 79 Ca -0.00 0.09 0.00 0.00 -0.00 0.00 0.00 57.03 57.11 1j5i h ASP 79 Cb 0.79 0.20 0.00 0.00 -0.00 0.00 0.00 39.33 40.32 1j5i h ASP 79 CO 0.05 -0.15 0.00 0.61 -0.00 0.00 0.00 179.24 179.75 1j5i n GLY 80 N -1.27 0.32 3.91 -0.78 0.00 -1.17 -5.15 105.19 101.05 1j5i n GLY 80 Ca -0.02 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.73 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 3.73 0.04 2.61 2.01 -1.26 -4.88 115.64 117.90 1j5i s THR 81 Ca 0.00 0.09 0.06 0.00 0.31 0.00 0.00 61.69 62.15 1j5i s THR 81 Cb 0.00 -3.49 -0.03 0.00 0.01 0.00 0.00 72.50 68.99 1j5i s THR 81 CO 0.00 -0.52 -0.14 0.00 -0.69 0.00 0.00 174.62 173.27 1j5i s ARG 82 N -5.02 2.20 0.00 4.92 1.70 -1.26 0.47 118.95 121.96 1j5i s ARG 82 Ca 0.54 -0.92 0.00 0.00 -0.47 0.00 0.00 55.73 54.88 1j5i s ARG 82 Cb -0.11 -2.29 0.00 0.00 -0.57 0.00 0.00 34.95 31.99 1j5i s ARG 82 CO 0.46 0.55 0.00 1.87 -1.08 0.00 0.00 175.30 177.10 1j5i n TRP 83 N 1.43 0.00 0.00 5.89 -0.00 -0.21 -4.78 117.44 119.77 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 0.52 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 3.54 1.81 5.00 5.87 0.00 -0.27 -4.76 105.19 116.39 1j5i n GLY 84 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.74 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 -3.81 12.58 0.31 0.13 -4.80 118.33 122.74 1j5i n VAL 86 Ca 0.00 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 64.04 1j5i n VAL 86 Cb 0.00 0.00 -0.16 0.00 -0.91 0.00 0.00 33.84 32.77 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 3.66 -0.39 4.52 3.68 -1.26 0.88 116.67 127.77 1j5i s ASP 87 Ca 0.00 -1.27 -0.02 0.00 2.13 0.00 0.00 52.55 53.39 1j5i s ASP 87 Cb 0.00 -0.91 0.20 0.00 -1.45 0.00 0.00 42.92 40.76 1j5i s ASP 87 CO 0.00 -0.33 2.20 0.00 0.13 0.00 0.00 175.17 177.17 1j5i h THR 89 N 1.24 0.00 0.00 0.00 2.02 -1.94 -3.37 112.91 110.85 1j5i h THR 89 Ca 0.35 -0.76 -0.15 0.00 0.77 0.00 0.00 66.41 66.62 1j5i h THR 89 Cb 0.85 1.39 -0.02 0.00 -1.74 0.00 0.00 68.15 68.63 1j5i h THR 89 CO 0.87 0.00 -0.89 0.74 0.37 0.00 0.00 175.52 176.61 1j5i h THR 90 N 0.00 0.86 -3.35 3.16 2.02 -1.99 -3.46 112.91 110.15 1j5i h THR 90 Ca 0.00 -1.96 -0.57 0.00 0.77 0.00 0.00 66.41 64.65 1j5i h THR 90 Cb 0.88 1.94 -0.07 0.00 -1.74 0.00 0.00 68.15 69.16 1j5i h THR 90 CO 0.00 0.29 -0.01 0.00 0.37 0.00 0.00 175.52 176.17 1j5i s ALA 91 N -2.41 3.41 -0.12 6.16 0.00 -1.26 -4.99 121.76 122.55 1j5i s ALA 91 Ca -0.24 -0.04 -0.29 0.00 0.00 0.00 0.00 51.96 51.39 1j5i s ALA 91 Cb 0.04 -2.82 -0.06 0.00 0.00 0.00 0.00 23.12 20.28 1j5i s ALA 91 CO 0.52 -0.08 2.01 0.00 0.00 0.00 0.00 175.76 178.21 1j5i s ALA 92 N 0.79 3.16 -0.15 0.00 0.00 -1.26 -4.83 121.76 119.47 1j5i s ALA 92 Ca 0.32 0.94 -0.20 0.00 0.00 0.00 0.00 51.96 53.01 1j5i s ALA 92 Cb -0.16 -3.95 -0.03 0.00 0.00 0.00 0.00 23.12 18.98 1j5i s ALA 92 CO 0.14 -2.17 0.59 0.00 0.00 0.00 0.00 175.76 174.33 1j5i s GLN 94 N 1.29 3.16 -0.23 0.00 -0.21 -0.43 -0.80 119.66 122.45 1j5i s GLN 94 Ca 0.29 -0.71 -0.21 0.00 0.02 0.00 0.00 55.36 54.75 1j5i s GLN 94 Cb -0.16 -3.94 -0.02 0.00 1.00 0.00 0.00 33.01 29.88 1j5i s GLN 94 CO 0.12 -0.80 0.63 0.08 -2.12 0.00 0.00 175.29 173.20 1j5i s VAL 95 N 2.11 5.00 0.17 1.09 1.01 -0.49 -0.24 120.40 129.05 1j5i s VAL 95 Ca 0.12 1.16 -0.24 0.00 0.00 0.00 0.00 61.98 63.02 1j5i s VAL 95 Cb -0.17 -3.94 0.06 0.00 0.00 0.00 0.00 36.38 32.33 1j5i s VAL 95 CO 0.13 0.07 0.93 -0.83 0.00 0.00 0.00 175.10 175.39 1j5i s GLY 96 N 1.33 -0.22 -0.20 4.51 0.00 -1.25 -1.01 107.32 110.48 1j5i s GLY 96 Ca 0.27 0.08 -0.06 0.00 0.00 0.00 0.00 44.72 45.01 1j5i s GLY 96 CO 0.09 -0.01 0.03 0.48 0.00 0.00 0.00 173.10 173.70 1j5i s LEU 97 N -2.93 3.45 0.35 0.66 0.05 -1.26 -0.55 118.68 118.45 1j5i s LEU 97 Ca 0.12 -0.12 0.07 0.00 0.05 0.00 0.00 54.13 54.25 1j5i s LEU 97 Cb -0.02 -1.88 -0.00 0.00 -2.05 0.00 0.00 46.19 42.23 1j5i s LEU 97 CO 0.03 0.08 0.49 -0.94 -0.55 0.00 0.00 176.35 175.46 1j5i s SER 98 N 0.94 5.90 0.65 1.48 1.04 0.18 -4.59 113.70 119.29 1j5i s SER 98 Ca 0.02 -0.24 -0.11 0.00 0.48 0.00 0.00 55.95 56.10 1j5i s SER 98 Cb -0.14 -1.10 -0.02 0.00 0.10 0.00 0.00 66.02 64.86 1j5i s SER 98 CO 0.02 -0.51 1.05 -1.81 0.98 0.00 0.00 173.24 172.97 1j5i s ASP 99 N -4.21 5.95 -0.03 7.02 1.11 -1.16 0.62 116.67 125.96 1j5i s ASP 99 Ca 0.47 1.41 0.09 0.00 0.18 0.00 0.00 52.55 54.70 1j5i s ASP 99 Cb -0.10 -2.39 0.30 0.00 1.07 0.00 0.00 42.92 41.81 1j5i s ASP 99 CO 0.32 -1.05 1.17 0.00 1.18 0.00 0.00 175.17 176.78 1j5i n ALA 100 N -2.86 2.66 -0.06 5.23 0.00 -1.26 -4.03 120.51 120.18 1j5i n ALA 100 Ca 0.06 -0.64 -0.05 0.00 0.00 0.00 0.00 53.44 52.81 1j5i n ALA 100 Cb 0.54 -1.00 -0.02 0.00 0.00 0.00 0.00 19.45 18.97 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 0.38 0.53 0.00 0.00 0.00 -1.26 -5.03 120.51 115.13 1j5i n ALA 101 Ca 0.11 -0.53 0.00 0.00 0.00 0.00 0.00 53.44 53.02 1j5i n ALA 101 Cb 0.40 0.02 0.00 0.00 0.00 0.00 0.00 19.45 19.86 1j5i n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1j5i n GLY 102 N 1.56 0.00 2.97 0.00 0.00 -1.26 -5.17 105.19 103.29 1j5i n GLY 102 Ca -0.08 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.84 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 0.26 -0.27 1.61 0.01 -1.26 -5.07 114.94 110.22 1j5i s ASN 103 Ca 0.00 -0.44 0.02 0.00 -0.71 0.00 0.00 52.86 51.73 1j5i s ASN 103 Cb 0.00 0.08 0.06 0.00 0.41 0.00 0.00 41.25 41.80 1j5i s ASN 103 CO 0.00 -0.25 -0.09 -0.83 -1.51 0.00 0.00 177.10 174.42 1j5i s GLY 104 N -1.28 1.68 0.00 0.66 0.00 -1.26 -3.00 107.32 104.11 1j5i s GLY 104 Ca -0.14 -1.75 0.00 0.00 0.00 0.00 0.00 44.72 42.84 1j5i s GLY 104 CO -0.01 0.62 0.00 -1.55 0.00 0.00 0.00 173.10 172.16 1j5i n PRO 105 N 4.49 0.68 -2.81 2.90 -0.04 -1.26 -5.00 135.00 133.94 1j5i n PRO 105 Ca -0.14 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 62.92 1j5i n PRO 105 Cb 0.43 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.83 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 -0.65 4.78 0.38 0.54 2.12 -1.26 -5.03 118.70 119.58 1j5i s GLU 106 Ca 0.00 1.40 0.08 0.00 0.36 0.00 0.00 54.97 56.81 1j5i s GLU 106 Cb 0.00 -3.28 -0.06 0.00 0.26 0.00 0.00 34.13 31.06 1j5i s GLU 106 CO 0.00 0.53 0.09 0.20 -0.54 0.00 0.00 175.26 175.54 1j5i s GLY 107 N -1.15 2.24 -0.24 -1.50 0.00 -1.26 -4.73 107.32 100.67 1j5i s GLY 107 Ca 0.40 -2.07 -0.08 0.00 0.00 0.00 0.00 44.72 42.96 1j5i s GLY 107 CO 0.30 -1.93 0.10 0.54 0.00 0.00 0.00 173.10 172.11 1j5i s VAL 108 N -2.58 4.65 -0.68 1.40 0.11 -0.18 -4.80 120.40 118.32 1j5i s VAL 108 Ca 0.37 -0.06 -0.26 0.00 -2.93 0.00 0.00 61.98 59.10 1j5i s VAL 108 Cb 0.03 -3.17 -0.11 0.00 -1.53 0.00 0.00 36.38 31.60 1j5i s VAL 108 CO 0.21 0.34 2.38 0.00 -3.33 0.00 0.00 175.10 174.70 1j5i s ALA 109 N 1.40 1.09 0.16 1.54 0.00 -1.26 -1.39 121.76 123.31 1j5i s ALA 109 Ca 0.06 -0.52 -0.29 0.00 0.00 0.00 0.00 51.96 51.22 1j5i s ALA 109 Cb -0.15 -4.49 -0.07 0.00 0.00 0.00 0.00 23.12 18.41 1j5i s ALA 109 CO 0.05 -5.31 0.90 -1.50 0.00 0.00 0.00 175.76 169.89 1j5i s ILE 110 N 13.60 4.33 0.00 0.00 1.10 0.02 -4.53 121.20 135.72 1j5i s ILE 110 Ca 0.93 1.96 0.00 0.00 -0.51 0.00 0.00 60.65 63.03 1j5i s ILE 110 Cb -0.14 -4.27 0.00 0.00 0.15 0.00 0.00 42.46 38.20 1j5i s ILE 110 CO 0.15 0.43 0.00 -1.54 -2.11 0.00 0.00 174.94 171.87 1j5i n SER 111 N 2.06 0.00 -3.66 4.50 3.41 -0.73 -3.98 113.62 115.21 1j5i n SER 111 Ca -0.01 0.00 -0.07 0.00 -0.26 0.00 0.00 58.87 58.52 1j5i n SER 111 Cb 0.48 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.35 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 -2.00 7.33 5.36 -1.11 0.19 117.98 126.84 1j5i s PHE 112 Ca 0.00 1.70 0.14 0.00 -0.96 0.00 0.00 56.93 57.81 1j5i s PHE 112 Cb 0.00 0.43 0.82 0.00 -0.34 0.00 0.00 43.02 43.93 1j5i s PHE 112 CO 0.00 -0.50 1.25 0.27 -1.46 0.00 0.00 175.22 174.77