#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j5i s ALA 2 N 0.00 -0.12 -0.90 0.00 0.00 -1.26 -5.09 121.76 114.39 1j5i s ALA 2 Ca 0.00 0.33 -0.24 0.00 0.00 0.00 0.00 51.96 52.05 1j5i s ALA 2 Cb 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 23.12 22.09 1j5i s ALA 2 CO 0.00 -0.88 1.66 -1.25 0.00 0.00 0.00 175.76 175.29 1j5i s PRO 3 N 2.28 3.05 0.89 0.00 0.04 -1.26 -3.78 135.00 136.22 1j5i s PRO 3 Ca 0.04 -0.52 0.00 0.00 0.04 0.00 0.00 61.00 60.56 1j5i s PRO 3 Cb -0.14 -5.01 0.00 0.00 0.04 0.00 0.00 34.50 29.39 1j5i s PRO 3 CO -0.08 -2.70 0.00 0.25 0.04 0.00 0.00 177.00 174.51 1j5i n THR 4 N 7.24 0.00 -1.60 1.26 -2.24 -1.17 -4.42 114.28 113.36 1j5i n THR 4 Ca 0.31 0.00 -0.50 0.00 -2.27 0.00 0.00 64.05 61.59 1j5i n THR 4 Cb 0.49 -0.11 -0.06 0.00 -2.10 0.00 0.00 70.33 68.55 1j5i n THR 4 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1j5i n ALA 5 N -0.58 0.91 -2.73 6.98 0.00 -1.25 -3.79 120.51 120.06 1j5i n ALA 5 Ca 0.00 0.12 -0.17 0.00 0.00 0.00 0.00 53.44 53.39 1j5i n ALA 5 Cb 0.15 -2.53 -0.13 0.00 0.00 0.00 0.00 19.45 16.94 1j5i n ALA 5 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1j5i s THR 6 N 5.61 0.83 -0.37 0.00 -4.23 0.48 -4.13 115.64 113.82 1j5i s THR 6 Ca 1.00 -0.89 -0.15 0.00 -1.18 0.00 0.00 61.69 60.47 1j5i s THR 6 Cb -0.75 -0.78 -0.00 0.00 1.34 0.00 0.00 72.50 72.30 1j5i s THR 6 CO 0.51 -0.09 0.34 -0.69 -0.54 0.00 0.00 174.62 174.14 1j5i s VAL 7 N -0.88 5.20 0.00 2.29 1.01 -1.26 0.71 120.40 127.47 1j5i s VAL 7 Ca -0.02 -0.20 -0.01 0.00 0.00 0.00 0.00 61.98 61.76 1j5i s VAL 7 Cb -0.07 -3.85 -0.00 0.00 0.00 0.00 0.00 36.38 32.45 1j5i s VAL 7 CO 0.01 -0.17 1.01 0.74 0.00 0.00 0.00 175.10 176.69 1j5i h THR 8 N 5.58 0.00 0.00 3.92 2.02 -1.78 -2.70 112.91 119.94 1j5i h THR 8 Ca -0.29 0.00 -0.35 0.00 0.77 0.00 0.00 66.41 66.54 1j5i h THR 8 Cb 1.14 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.54 1j5i h THR 8 CO 0.70 0.00 1.73 -0.81 0.37 0.00 0.00 175.52 177.51 1j5i n PRO 9 N -2.50 2.23 -0.29 6.66 -0.04 -1.26 -4.41 135.00 135.39 1j5i n PRO 9 Ca -0.00 -1.33 0.03 0.00 -0.04 0.00 0.00 63.50 62.16 1j5i n PRO 9 Cb 0.01 -2.29 0.15 0.00 -0.04 0.00 0.00 33.50 31.33 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 3.38 2.43 -4.45 3.54 3.41 -1.02 -4.62 113.62 116.29 1j5i n SER 10 Ca 0.48 -2.24 -0.33 0.00 -0.26 0.00 0.00 58.87 56.52 1j5i n SER 10 Cb 0.39 -0.45 -0.13 0.00 -0.26 0.00 0.00 64.21 63.76 1j5i n SER 10 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1j5i s SER 11 N -0.54 4.03 -1.55 4.04 1.04 -1.26 -1.69 113.70 117.77 1j5i s SER 11 Ca 0.21 -0.23 -0.09 0.00 0.48 0.00 0.00 55.95 56.32 1j5i s SER 11 Cb 0.14 -1.05 0.07 0.00 0.10 0.00 0.00 66.02 65.29 1j5i s SER 11 CO 0.09 0.30 0.60 0.61 0.98 0.00 0.00 173.24 175.81 1j5i n GLY 12 N 2.62 -0.33 3.09 7.32 0.00 0.14 -4.86 105.19 113.17 1j5i n GLY 12 Ca -0.17 0.15 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 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 -4.42 -2.90 -3.89 0.99 -0.00 -0.79 -5.01 117.00 100.97 1j5i n LEU 13 Ca -0.12 -0.03 -0.11 0.00 -0.00 0.00 0.00 56.01 55.75 1j5i n LEU 13 Cb 0.59 -0.66 -0.12 0.00 -0.00 0.00 0.00 43.42 43.23 1j5i n LEU 13 CO 0.80 -2.86 -0.29 -0.55 -0.00 0.00 0.00 177.39 174.50 1j5i s SER 14 N -1.27 0.04 -0.96 1.45 0.15 -1.26 -5.03 113.70 106.83 1j5i s SER 14 Ca 0.42 -0.12 -0.18 0.00 0.70 0.00 0.00 55.95 56.77 1j5i s SER 14 Cb 0.02 0.14 -0.27 0.00 -1.71 0.00 0.00 66.02 64.20 1j5i s SER 14 CO 0.67 -0.17 2.36 -0.67 1.20 0.00 0.00 173.24 176.63 1j5i n ASP 15 N 2.32 -0.44 -1.41 5.45 4.64 -1.26 0.63 116.55 126.48 1j5i n ASP 15 Ca -0.18 -0.39 -0.01 0.00 -1.38 0.00 0.00 54.79 52.84 1j5i n ASP 15 Cb 0.57 -0.80 0.00 0.00 -1.04 0.00 0.00 41.12 39.85 1j5i n ASP 15 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1j5i n GLY 16 N 5.96 0.69 3.62 0.27 0.00 0.13 -4.92 105.19 110.94 1j5i n GLY 16 Ca 0.64 -0.32 -0.40 0.00 0.00 0.00 0.00 46.02 45.94 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 -3.02 5.00 -0.64 2.61 2.01 0.21 -4.61 115.64 117.20 1j5i s THR 17 Ca 0.01 1.07 -0.27 0.00 0.31 0.00 0.00 61.69 62.81 1j5i s THR 17 Cb -0.00 -3.91 -0.00 0.00 0.01 0.00 0.00 72.50 68.60 1j5i s THR 17 CO 0.03 0.04 1.64 -0.69 -0.69 0.00 0.00 174.62 174.95 1j5i s VAL 18 N 2.46 3.51 0.54 3.82 1.01 -1.26 0.14 120.40 130.62 1j5i s VAL 18 Ca 0.25 0.32 0.07 0.00 0.00 0.00 0.00 61.98 62.61 1j5i s VAL 18 Cb -0.16 -4.28 0.04 0.00 0.00 0.00 0.00 36.38 31.99 1j5i s VAL 18 CO 0.09 -1.21 0.50 0.68 0.00 0.00 0.00 175.10 175.16 1j5i s VAL 19 N 7.72 1.89 -0.23 2.92 -7.23 0.13 -4.94 120.40 120.65 1j5i s VAL 19 Ca 0.56 -1.35 -0.00 0.00 -1.81 0.00 0.00 61.98 59.38 1j5i s VAL 19 Cb -0.11 -2.24 0.03 0.00 0.56 0.00 0.00 36.38 34.62 1j5i s VAL 19 CO 0.20 0.00 -0.10 -0.54 -0.31 0.00 0.00 175.10 174.34 1j5i s LYS 20 N -4.36 2.79 -0.89 4.82 1.02 -1.26 -1.32 119.74 120.54 1j5i s LYS 20 Ca 0.43 -0.99 -0.19 0.00 0.02 0.00 0.00 55.97 55.23 1j5i s LYS 20 Cb -0.03 -2.86 0.12 0.00 -0.52 0.00 0.00 37.83 34.54 1j5i s LYS 20 CO 0.26 -0.37 1.09 0.08 -0.92 0.00 0.00 175.35 175.50 1j5i s VAL 21 N 1.28 4.69 -0.46 3.17 1.01 0.39 -1.98 120.40 128.50 1j5i s VAL 21 Ca -0.00 -1.43 -0.23 0.00 0.00 0.00 0.00 61.98 60.33 1j5i s VAL 21 Cb -0.16 -4.76 0.03 0.00 0.00 0.00 0.00 36.38 31.49 1j5i s VAL 21 CO -0.07 -1.49 0.78 0.00 0.00 0.00 0.00 175.10 174.33 1j5i s ALA 22 N 2.83 3.28 -0.13 5.51 0.00 0.22 -0.44 121.76 133.04 1j5i s ALA 22 Ca 0.31 -1.07 -0.02 0.00 0.00 0.00 0.00 51.96 51.17 1j5i s ALA 22 Cb -0.07 -3.48 -0.03 0.00 0.00 0.00 0.00 23.12 19.54 1j5i s ALA 22 CO -0.07 -1.97 -0.06 0.20 0.00 0.00 0.00 175.76 173.86 1j5i s GLY 23 N 2.22 1.69 -0.25 0.00 0.00 0.14 -0.39 107.32 110.74 1j5i s GLY 23 Ca 0.29 -0.85 -0.03 0.00 0.00 0.00 0.00 44.72 44.13 1j5i s GLY 23 CO 0.22 -0.26 0.09 0.00 0.00 0.00 0.00 173.10 173.15 1j5i s ALA 24 N 0.01 0.89 0.00 3.20 0.00 -1.24 0.52 121.76 125.14 1j5i s ALA 24 Ca -0.00 -0.97 0.00 0.00 0.00 0.00 0.00 51.96 50.99 1j5i s ALA 24 Cb -0.14 -1.32 0.00 0.00 0.00 0.00 0.00 23.12 21.66 1j5i s ALA 24 CO 0.03 -1.44 0.00 0.41 0.00 0.00 0.00 175.76 174.76 1j5i n GLY 25 N 5.11 1.27 0.00 0.00 0.00 0.51 -3.03 105.19 109.06 1j5i n GLY 25 Ca -0.06 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.05 0.00 -0.04 0.99 7.94 -0.73 -4.65 117.00 120.46 1j5i n LEU 26 Ca 0.00 0.00 0.21 0.00 -1.11 0.00 0.00 56.01 55.11 1j5i n LEU 26 Cb 0.19 0.00 0.40 0.00 0.53 0.00 0.00 43.42 44.54 1j5i n LEU 26 CO 0.00 0.00 1.19 1.56 -1.11 0.00 0.00 177.39 179.03 1j5i h GLN 27 N 0.00 0.00 -0.78 1.96 7.50 -1.88 -3.43 115.11 118.48 1j5i h GLN 27 Ca 0.00 0.00 -0.27 0.00 0.50 0.00 0.00 58.65 58.88 1j5i h GLN 27 Cb 0.00 0.00 -0.09 0.00 0.05 0.00 0.00 27.48 27.44 1j5i h GLN 27 CO 0.00 0.00 -0.26 0.00 -1.50 0.00 0.00 178.83 177.07 1j5i n ALA 28 N -2.09 -0.22 0.00 3.87 0.00 -1.26 -1.59 120.51 119.22 1j5i n ALA 28 Ca 0.15 0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.79 1j5i n ALA 28 Cb 1.26 -1.49 0.00 0.00 0.00 0.00 0.00 19.45 19.22 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 -1.33 0.66 0.00 0.00 0.00 -1.17 -4.16 105.19 99.20 1j5i n GLY 29 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.35 0.00 -4.15 2.61 -1.04 -0.62 -4.68 114.28 105.05 1j5i n THR 30 Ca 0.00 0.00 -0.15 0.00 -2.04 0.00 0.00 64.05 61.86 1j5i n THR 30 Cb 0.00 -1.45 -0.13 0.00 -1.82 0.00 0.00 70.33 66.93 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 -2.90 0.59 0.00 2.41 0.00 -1.26 -2.03 121.76 118.56 1j5i s ALA 31 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 51.96 51.42 1j5i s ALA 31 Cb 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 23.12 23.07 1j5i s ALA 31 CO 0.00 0.07 0.00 0.66 0.00 0.00 0.00 175.76 176.49 1j5i n TYR 32 N 2.17 -0.36 -4.26 0.00 4.01 0.69 -4.89 117.16 114.52 1j5i n TYR 32 Ca -0.18 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.23 1j5i n TYR 32 Cb 0.56 0.00 -0.16 0.00 -0.31 0.00 0.00 39.34 39.43 1j5i n TYR 32 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1j5i s ASP 33 N 0.10 3.32 0.17 7.72 1.11 -1.24 -0.06 116.67 127.79 1j5i s ASP 33 Ca 0.00 -0.59 -0.22 0.00 0.18 0.00 0.00 52.55 51.92 1j5i s ASP 33 Cb 0.00 -1.51 -0.08 0.00 1.07 0.00 0.00 42.92 42.40 1j5i s ASP 33 CO 0.00 0.02 0.72 0.54 1.18 0.00 0.00 175.17 177.63 1j5i s VAL 34 N 1.16 4.50 -0.21 -1.27 0.11 -0.65 -1.52 120.40 122.53 1j5i s VAL 34 Ca 0.01 1.47 -0.31 0.00 -2.93 0.00 0.00 61.98 60.23 1j5i s VAL 34 Cb -0.14 -4.00 0.15 0.00 -1.53 0.00 0.00 36.38 30.86 1j5i s VAL 34 CO -0.08 0.42 1.18 -0.83 -3.33 0.00 0.00 175.10 172.46 1j5i s GLY 35 N -1.31 -0.15 -1.24 6.54 0.00 0.56 -0.80 107.32 110.92 1j5i s GLY 35 Ca 0.37 2.17 -0.09 0.00 0.00 0.00 0.00 44.72 47.17 1j5i s GLY 35 CO 0.23 0.90 1.74 0.61 0.00 0.00 0.00 173.10 176.58 1j5i n GLN 36 N 0.40 3.72 -2.78 2.90 0.00 -1.24 -0.85 117.38 119.53 1j5i n GLN 36 Ca -0.04 -3.75 -0.32 0.00 0.00 0.00 0.00 57.00 52.89 1j5i n GLN 36 Cb 0.58 -2.87 -0.05 0.00 0.00 0.00 0.00 30.24 27.90 1j5i n GLN 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1j5i s ALA 38 N -2.28 -2.19 -0.34 0.00 0.00 -0.58 -0.90 121.76 115.47 1j5i s ALA 38 Ca 0.58 1.65 -0.29 0.00 0.00 0.00 0.00 51.96 53.91 1j5i s ALA 38 Cb -0.10 -0.20 -0.01 0.00 0.00 0.00 0.00 23.12 22.81 1j5i s ALA 38 CO 0.21 -0.64 1.66 1.67 0.00 0.00 0.00 175.76 178.67 1j5i s TRP 39 N -2.19 2.02 -0.27 0.00 1.48 -1.26 0.04 118.94 118.75 1j5i s TRP 39 Ca 0.11 0.62 -0.10 0.00 -1.06 0.00 0.00 56.10 55.67 1j5i s TRP 39 Cb 0.00 -4.16 -0.13 0.00 -1.16 0.00 0.00 33.47 28.02 1j5i s TRP 39 CO -0.04 -2.67 -0.33 1.55 -4.06 0.00 0.00 176.95 171.40 1j5i n VAL 40 N 7.19 1.50 -0.74 -0.66 3.14 -0.53 -4.78 118.33 123.45 1j5i n VAL 40 Ca 0.20 -0.42 0.00 0.00 -2.96 0.00 0.00 64.34 61.16 1j5i n VAL 40 Cb 0.47 -1.78 0.00 0.00 -1.06 0.00 0.00 33.84 31.47 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 -4.02 0.00 -4.29 6.55 -0.08 -1.19 -4.81 116.55 108.71 1j5i n ASP 41 Ca -0.52 -0.67 -0.24 0.00 -1.51 0.00 0.00 54.79 51.85 1j5i n ASP 41 Cb 0.90 0.00 -0.11 0.00 2.34 0.00 0.00 41.12 44.26 1j5i n ASP 41 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73 1j5i n THR 42 N -1.31 0.36 -1.85 5.18 -1.04 -1.26 -2.80 114.28 111.56 1j5i n THR 42 Ca 0.00 -0.36 -0.13 0.00 -2.04 0.00 0.00 64.05 61.51 1j5i n THR 42 Cb 0.00 -2.04 -0.03 0.00 -1.82 0.00 0.00 70.33 66.44 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 5.75 0.57 3.47 3.41 0.00 -1.26 -4.97 105.19 112.15 1j5i n GLY 43 Ca 0.43 -0.36 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.59 4.95 -0.61 1.61 1.01 -1.12 -4.98 120.40 118.66 1j5i s VAL 44 Ca 0.00 -0.42 -0.26 0.00 0.00 0.00 0.00 61.98 61.30 1j5i s VAL 44 Cb 0.00 -3.59 -0.07 0.00 0.00 0.00 0.00 36.38 32.72 1j5i s VAL 44 CO 0.00 -0.05 2.25 -0.22 0.00 0.00 0.00 175.10 177.08 1j5i s LEU 45 N 1.66 3.25 -0.13 3.92 1.98 -1.26 -1.45 118.68 126.65 1j5i s LEU 45 Ca 0.05 0.56 -0.04 0.00 -2.89 0.00 0.00 54.13 51.82 1j5i s LEU 45 Cb -0.18 -2.52 -0.03 0.00 0.66 0.00 0.00 46.19 44.12 1j5i s LEU 45 CO 0.08 -2.96 0.00 0.00 -1.89 0.00 0.00 176.35 171.58 1j5i s ALA 46 N 11.87 3.22 0.05 5.97 0.00 0.11 -2.36 121.76 140.61 1j5i s ALA 46 Ca 0.87 -0.80 0.03 0.00 0.00 0.00 0.00 51.96 52.07 1j5i s ALA 46 Cb -0.14 -1.59 -0.04 0.00 0.00 0.00 0.00 23.12 21.34 1j5i s ALA 46 CO 0.19 0.39 -0.00 0.00 0.00 0.00 0.00 175.76 176.33 1j5i s ASN 48 N -1.94 5.57 0.23 0.00 0.02 -1.26 0.42 114.94 117.98 1j5i s ASN 48 Ca 0.23 1.21 0.25 0.00 -1.02 0.00 0.00 52.86 53.53 1j5i s ASN 48 Cb -0.12 -2.06 0.90 0.00 0.02 0.00 0.00 41.25 39.99 1j5i s ASN 48 CO 0.14 -1.27 1.75 -0.81 0.02 0.00 0.00 177.10 176.93 1j5i n PRO 49 N -2.97 0.22 -0.27 -0.60 -0.04 -1.26 -2.09 135.00 127.98 1j5i n PRO 49 Ca 0.07 0.31 0.11 0.00 -0.04 0.00 0.00 63.50 63.95 1j5i n PRO 49 Cb 0.56 -1.83 0.27 0.00 -0.04 0.00 0.00 33.50 32.47 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 -1.77 2.41 0.57 0.55 0.00 -1.26 -4.05 120.51 116.96 1j5i n ALA 50 Ca 0.04 -1.08 0.04 0.00 0.00 0.00 0.00 53.44 52.44 1j5i n ALA 50 Cb 0.33 -0.93 0.16 0.00 0.00 0.00 0.00 19.45 19.01 1j5i n ALA 50 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1j5i n ASP 51 N 1.43 2.41 -4.18 0.00 5.75 -0.89 -4.63 116.55 116.44 1j5i n ASP 51 Ca 0.21 -2.21 -0.40 0.00 -0.01 0.00 0.00 54.79 52.38 1j5i n ASP 51 Cb 0.57 -0.40 -0.07 0.00 -1.03 0.00 0.00 41.12 40.19 1j5i n ASP 51 CO 0.00 0.00 0.00 -0.36 -0.11 0.00 0.00 177.20 176.73 1j5i s PHE 52 N -1.67 3.53 -0.41 2.11 0.08 -1.17 -2.40 117.98 118.04 1j5i s PHE 52 Ca 0.23 -2.44 0.03 0.00 0.12 0.00 0.00 56.93 54.87 1j5i s PHE 52 Cb 0.15 -3.42 0.16 0.00 -0.57 0.00 0.00 43.02 39.34 1j5i s PHE 52 CO 0.11 -0.90 0.31 0.45 -0.10 0.00 0.00 175.22 175.10 1j5i s SER 53 N 1.26 1.98 -0.11 1.36 0.15 0.02 -4.94 113.70 113.42 1j5i s SER 53 Ca 0.17 -2.89 -0.40 0.00 0.70 0.00 0.00 55.95 53.53 1j5i s SER 53 Cb -0.17 -0.49 -0.18 0.00 -1.71 0.00 0.00 66.02 63.46 1j5i s SER 53 CO -0.05 -0.20 1.36 -1.54 1.20 0.00 0.00 173.24 174.01 1j5i n SER 54 N 3.10 1.11 -4.02 5.45 3.41 -1.26 -1.63 113.62 119.77 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 0.44 -1.03 -0.09 0.00 -0.26 0.00 0.00 64.21 63.28 1j5i n SER 54 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1j5i s VAL 55 N 1.28 0.13 0.02 -3.33 1.01 0.91 -4.84 120.40 115.58 1j5i s VAL 55 Ca 0.93 -1.58 -0.01 0.00 0.00 0.00 0.00 61.98 61.32 1j5i s VAL 55 Cb -1.19 -1.72 -0.02 0.00 0.00 0.00 0.00 36.38 33.45 1j5i s VAL 55 CO 0.60 -0.57 -0.02 -0.89 0.00 0.00 0.00 175.10 174.22 1j5i s THR 56 N -3.96 0.13 0.05 3.92 2.01 -1.26 -0.22 115.64 116.30 1j5i s THR 56 Ca 0.14 -1.03 0.02 0.00 0.31 0.00 0.00 61.69 61.13 1j5i s THR 56 Cb 0.06 -0.46 -0.04 0.00 0.01 0.00 0.00 72.50 72.07 1j5i s THR 56 CO -0.04 -0.57 0.04 0.00 -0.69 0.00 0.00 174.62 173.36 1j5i s ALA 57 N -1.84 3.42 0.88 7.40 0.00 -0.86 -4.43 121.76 126.32 1j5i s ALA 57 Ca -0.12 -1.00 -0.10 0.00 0.00 0.00 0.00 51.96 50.73 1j5i s ALA 57 Cb -0.07 -1.37 0.12 0.00 0.00 0.00 0.00 23.12 21.80 1j5i s ALA 57 CO -0.02 0.70 1.14 -0.51 0.00 0.00 0.00 175.76 177.06 1j5i s ASP 58 N -2.03 3.32 0.44 0.00 1.01 0.15 -3.62 116.67 115.94 1j5i s ASP 58 Ca 0.25 2.11 0.37 0.00 0.71 0.00 0.00 52.55 55.99 1j5i s ASP 58 Cb -0.12 -2.56 1.43 0.00 1.01 0.00 0.00 42.92 42.68 1j5i s ASP 58 CO 0.16 -2.84 1.37 0.00 0.21 0.00 0.00 175.17 174.08 1j5i n ALA 59 N -4.03 1.46 -0.52 5.23 0.00 -1.26 0.43 120.51 121.82 1j5i n ALA 59 Ca 0.11 0.66 -0.14 0.00 0.00 0.00 0.00 53.44 54.08 1j5i n ALA 59 Cb 0.52 -0.97 0.06 0.00 0.00 0.00 0.00 19.45 19.06 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 -4.04 5.14 -3.78 0.00 5.15 -1.26 -4.18 115.26 112.28 1j5i n ASN 60 Ca 0.38 -2.91 -0.28 0.00 -0.60 0.00 0.00 54.58 51.17 1j5i n ASN 60 Cb 1.60 -0.89 -0.04 0.00 -0.53 0.00 0.00 39.78 39.91 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 0.13 -0.44 3.27 8.20 0.00 1.46 -3.91 105.19 113.89 1j5i n GLY 61 Ca 0.28 0.06 -0.44 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.82 6.06 -0.75 1.61 0.01 -0.96 0.19 113.70 117.04 1j5i s SER 62 Ca 0.53 -2.03 -0.07 0.00 1.31 0.00 0.00 55.95 55.69 1j5i s SER 62 Cb -0.31 -2.12 0.19 0.00 0.21 0.00 0.00 66.02 64.00 1j5i s SER 62 CO 0.66 -0.73 0.62 0.00 0.41 0.00 0.00 173.24 174.20 1j5i s ALA 63 N 1.20 3.88 -1.12 1.44 0.00 0.19 0.31 121.76 127.66 1j5i s ALA 63 Ca 0.07 -3.38 -0.08 0.00 0.00 0.00 0.00 51.96 48.58 1j5i s ALA 63 Cb -0.25 -3.04 0.28 0.00 0.00 0.00 0.00 23.12 20.11 1j5i s ALA 63 CO -0.01 -2.18 1.29 -1.13 0.00 0.00 0.00 175.76 173.73 1j5i n SER 64 N 3.51 5.76 -4.59 0.00 3.41 -1.25 0.25 113.62 120.70 1j5i n SER 64 Ca 0.12 -3.15 -0.31 0.00 -0.26 0.00 0.00 58.87 55.27 1j5i n SER 64 Cb 0.41 -1.37 -0.10 0.00 -0.26 0.00 0.00 64.21 62.89 1j5i n SER 64 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1j5i s THR 65 N -1.46 3.59 0.10 6.66 -4.23 0.41 -4.89 115.64 115.82 1j5i s THR 65 Ca 0.32 -0.91 -0.05 0.00 -1.18 0.00 0.00 61.69 59.88 1j5i s THR 65 Cb -0.04 -2.60 -0.05 0.00 1.34 0.00 0.00 72.50 71.15 1j5i s THR 65 CO -0.01 0.31 0.33 -0.94 -0.54 0.00 0.00 174.62 173.77 1j5i s SER 66 N -1.66 6.48 0.10 3.99 1.04 -1.26 0.15 113.70 122.53 1j5i s SER 66 Ca 0.19 0.54 -0.10 0.00 0.48 0.00 0.00 55.95 57.06 1j5i s SER 66 Cb -0.11 -2.07 0.01 0.00 0.10 0.00 0.00 66.02 63.94 1j5i s SER 66 CO 0.10 0.11 0.24 -0.76 0.98 0.00 0.00 173.24 173.91 1j5i s LEU 67 N -2.44 1.16 -0.17 2.42 2.01 -0.43 -4.84 118.68 116.40 1j5i s LEU 67 Ca 0.37 -0.58 -0.14 0.00 0.01 0.00 0.00 54.13 53.79 1j5i s LEU 67 Cb -0.13 1.24 -0.05 0.00 0.01 0.00 0.00 46.19 47.27 1j5i s LEU 67 CO 0.23 -0.77 0.32 0.28 1.01 0.00 0.00 176.35 177.43 1j5i s THR 68 N -3.85 5.28 -0.98 5.49 -1.32 -1.26 0.18 115.64 119.18 1j5i s THR 68 Ca 0.05 0.59 -0.19 0.00 -1.21 0.00 0.00 61.69 60.92 1j5i s THR 68 Cb 0.04 -3.66 0.11 0.00 -1.51 0.00 0.00 72.50 67.49 1j5i s THR 68 CO -0.11 0.36 1.25 -0.69 -2.21 0.00 0.00 174.62 173.22 1j5i s VAL 69 N 0.63 4.52 -1.36 5.08 1.01 0.37 -4.74 120.40 125.92 1j5i s VAL 69 Ca 0.17 -1.45 -0.08 0.00 0.00 0.00 0.00 61.98 60.62 1j5i s VAL 69 Cb -0.13 -4.87 0.10 0.00 0.00 0.00 0.00 36.38 31.48 1j5i s VAL 69 CO 0.05 -1.64 2.29 0.54 0.00 0.00 0.00 175.10 176.34 1j5i n ARG 70 N 7.14 4.09 -0.19 2.72 1.74 -1.26 0.20 116.66 131.11 1j5i n ARG 70 Ca 0.28 -3.28 0.18 0.00 -0.77 0.00 0.00 57.85 54.26 1j5i n ARG 70 Cb 0.49 -2.78 0.33 0.00 -1.02 0.00 0.00 32.46 29.49 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 2.85 -0.04 -2.86 5.56 0.63 -1.26 -3.35 116.66 118.19 1j5i n ARG 71 Ca 0.57 0.80 -0.43 0.00 -0.92 0.00 0.00 57.85 57.87 1j5i n ARG 71 Cb 0.29 -1.43 -0.04 0.00 0.45 0.00 0.00 32.46 31.72 1j5i n ARG 71 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 1j5i s SER 72 N -4.73 6.44 0.21 6.15 1.04 -1.20 -0.85 113.70 120.75 1j5i s SER 72 Ca -0.05 -0.06 -0.19 0.00 0.48 0.00 0.00 55.95 56.13 1j5i s SER 72 Cb 0.20 -2.43 0.03 0.00 0.10 0.00 0.00 66.02 63.91 1j5i s SER 72 CO 0.45 -1.07 0.57 0.72 0.98 0.00 0.00 173.24 174.90 1j5i s PHE 73 N 3.70 -0.17 -1.09 5.02 -0.12 -0.45 -4.90 117.98 119.98 1j5i s PHE 73 Ca 0.34 -0.18 -0.12 0.00 -0.05 0.00 0.00 56.93 56.91 1j5i s PHE 73 Cb -0.11 0.47 0.22 0.00 -0.63 0.00 0.00 43.02 42.97 1j5i s PHE 73 CO 0.24 -0.98 1.18 -2.00 -0.05 0.00 0.00 175.22 173.60 1j5i s GLU 74 N -3.87 4.03 0.89 1.99 2.12 -1.26 0.10 118.70 122.70 1j5i s GLU 74 Ca 0.09 -2.76 -0.15 0.00 0.36 0.00 0.00 54.97 52.51 1j5i s GLU 74 Cb -0.02 -4.75 -0.07 0.00 0.26 0.00 0.00 34.13 29.56 1j5i s GLU 74 CO -0.01 -1.48 -0.11 0.41 -0.54 0.00 0.00 175.26 173.53 1j5i n GLY 75 N 3.62 -3.10 2.79 -1.50 0.00 0.24 -4.05 105.19 103.19 1j5i n GLY 75 Ca 0.27 -0.66 -0.21 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.12 0.52 0.68 1.61 2.19 0.17 -1.03 117.98 120.00 1j5i s PHE 76 Ca 0.52 -0.08 -0.17 0.00 0.33 0.00 0.00 56.93 57.53 1j5i s PHE 76 Cb -0.25 -0.65 -0.01 0.00 -1.31 0.00 0.00 43.02 40.80 1j5i s PHE 76 CO 0.72 -0.25 1.08 1.28 1.83 0.00 0.00 175.22 179.88 1j5i n LEU 77 N 4.78 4.37 0.19 6.12 4.32 0.50 -0.48 117.00 136.80 1j5i n LEU 77 Ca -0.13 0.74 0.05 0.00 -0.02 0.00 0.00 56.01 56.65 1j5i n LEU 77 Cb 0.50 -1.45 0.34 0.00 -1.62 0.00 0.00 43.42 41.19 1j5i n LEU 77 CO 0.14 -1.68 0.68 2.19 -1.22 0.00 0.00 177.39 177.51 1j5i h PHE 78 N 0.09 0.00 -0.16 -1.77 -5.15 -1.73 -3.13 116.94 105.09 1j5i h PHE 78 Ca -0.49 0.00 0.04 0.00 -0.20 0.00 0.00 57.97 57.32 1j5i h PHE 78 Cb 1.34 0.00 -0.04 0.00 0.22 0.00 0.00 35.95 37.47 1j5i h PHE 78 CO 0.40 0.38 -0.10 0.22 -2.00 0.00 0.00 178.31 177.21 1j5i h ASP 79 N 0.00 -0.32 0.00 -0.68 3.58 -1.90 -3.46 116.42 113.64 1j5i h ASP 79 Ca -0.00 0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.52 1j5i h ASP 79 Cb 0.87 0.17 0.00 0.00 1.72 0.00 0.00 39.33 42.10 1j5i h ASP 79 CO 0.05 -0.13 0.00 0.61 -2.88 0.00 0.00 179.24 176.89 1j5i n GLY 80 N -1.25 0.60 3.81 -0.78 0.00 -1.18 -5.14 105.19 101.25 1j5i n GLY 80 Ca -0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 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 4.36 0.23 2.61 -1.32 -1.26 -4.85 115.64 115.41 1j5i s THR 81 Ca 0.00 1.55 -0.19 0.00 -1.21 0.00 0.00 61.69 61.84 1j5i s THR 81 Cb 0.00 -3.77 -0.08 0.00 -1.51 0.00 0.00 72.50 67.14 1j5i s THR 81 CO 0.00 -0.11 0.72 -0.13 -2.21 0.00 0.00 174.62 172.89 1j5i s ARG 82 N -2.68 4.22 0.00 7.08 0.52 -1.26 -0.37 118.95 126.46 1j5i s ARG 82 Ca 0.56 0.84 0.00 0.00 -0.52 0.00 0.00 55.73 56.61 1j5i s ARG 82 Cb -0.13 -2.84 0.00 0.00 0.52 0.00 0.00 34.95 32.50 1j5i s ARG 82 CO 0.18 0.38 0.00 1.87 0.02 0.00 0.00 175.30 177.74 1j5i n TRP 83 N 0.63 0.00 0.00 -0.53 -0.00 -0.19 -4.74 117.44 112.61 1j5i n TRP 83 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.48 1j5i n TRP 83 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.82 1j5i n TRP 83 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1j5i n GLY 84 N 3.31 0.44 2.41 5.87 0.00 -0.38 -4.81 105.19 112.03 1j5i n GLY 84 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 0.82 114.28 115.41 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 -1.69 12.58 0.31 0.12 -4.60 118.33 125.05 1j5i n VAL 86 Ca 0.00 0.00 -0.32 0.00 -0.01 0.00 0.00 64.34 64.01 1j5i n VAL 86 Cb 0.00 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 32.89 1j5i n VAL 86 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1j5i s ASP 87 N -4.00 4.53 -1.55 4.52 -1.08 -1.26 -1.34 116.67 116.49 1j5i s ASP 87 Ca 0.00 0.62 -0.12 0.00 -0.52 0.00 0.00 52.55 52.53 1j5i s ASP 87 Cb 0.00 -2.52 -0.03 0.00 -1.46 0.00 0.00 42.92 38.91 1j5i s ASP 87 CO 0.00 -2.97 2.63 0.00 0.52 0.00 0.00 175.17 175.34 1j5i n THR 89 N 4.28 0.25 -0.10 0.00 5.66 -1.26 -4.59 114.28 118.52 1j5i n THR 89 Ca 0.66 -0.47 -0.20 0.00 -3.05 0.00 0.00 64.05 61.00 1j5i n THR 89 Cb 0.30 -0.05 -0.11 0.00 -1.55 0.00 0.00 70.33 68.93 1j5i n THR 89 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1j5i h THR 90 N 0.00 0.87 -3.49 1.09 1.03 -2.00 -3.47 112.91 106.94 1j5i h THR 90 Ca -0.10 -2.07 -0.52 0.00 -0.01 0.00 0.00 66.41 63.71 1j5i h THR 90 Cb 1.08 2.07 -0.02 0.00 -1.07 0.00 0.00 68.15 70.20 1j5i h THR 90 CO 0.01 0.30 -0.05 0.00 -0.01 0.00 0.00 175.52 175.76 1j5i s ALA 91 N -2.39 3.50 -0.24 0.00 0.00 -1.26 -5.05 121.76 116.32 1j5i s ALA 91 Ca -0.27 -0.23 -0.20 0.00 0.00 0.00 0.00 51.96 51.26 1j5i s ALA 91 Cb 0.05 -2.51 -0.02 0.00 0.00 0.00 0.00 23.12 20.63 1j5i s ALA 91 CO 0.56 0.39 0.59 0.00 0.00 0.00 0.00 175.76 177.30 1j5i s ALA 92 N -1.93 3.59 -0.23 0.00 0.00 -1.26 -4.84 121.76 117.09 1j5i s ALA 92 Ca 0.49 -0.45 -0.19 0.00 0.00 0.00 0.00 51.96 51.81 1j5i s ALA 92 Cb -0.11 -2.97 -0.03 0.00 0.00 0.00 0.00 23.12 20.01 1j5i s ALA 92 CO 0.22 -0.73 0.55 0.00 0.00 0.00 0.00 175.76 175.81 1j5i s GLN 94 N 2.01 3.04 -0.13 0.00 -0.21 -0.07 -1.67 119.66 122.62 1j5i s GLN 94 Ca 0.24 -0.96 -0.20 0.00 0.02 0.00 0.00 55.36 54.47 1j5i s GLN 94 Cb -0.16 -4.02 -0.04 0.00 1.00 0.00 0.00 33.01 29.80 1j5i s GLN 94 CO 0.09 -0.90 0.56 0.08 -2.12 0.00 0.00 175.29 173.01 1j5i s VAL 95 N 1.97 5.12 0.00 1.09 1.01 -0.19 0.20 120.40 129.59 1j5i s VAL 95 Ca 0.09 1.12 0.00 0.00 0.00 0.00 0.00 61.98 63.19 1j5i s VAL 95 Cb -0.19 -3.90 0.00 0.00 0.00 0.00 0.00 36.38 32.29 1j5i s VAL 95 CO 0.11 0.25 0.00 0.61 0.00 0.00 0.00 175.10 176.07 1j5i n GLY 96 N 3.39 0.16 3.71 4.51 0.00 -0.03 0.35 105.19 117.28 1j5i n GLY 96 Ca -0.04 -0.89 -0.37 0.00 0.00 0.00 0.00 46.02 44.71 1j5i n GLY 96 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1j5i s LEU 97 N 0.00 4.23 0.30 0.99 1.02 -1.26 -0.32 118.68 123.64 1j5i s LEU 97 Ca 0.00 0.61 0.02 0.00 0.02 0.00 0.00 54.13 54.78 1j5i s LEU 97 Cb 0.00 -2.52 -0.03 0.00 0.02 0.00 0.00 46.19 43.66 1j5i s LEU 97 CO 0.00 0.02 0.47 -0.94 0.02 0.00 0.00 176.35 175.92 1j5i s SER 98 N 0.69 6.31 0.41 2.29 1.04 -0.57 -4.57 113.70 119.29 1j5i s SER 98 Ca 0.20 0.32 -0.06 0.00 0.48 0.00 0.00 55.95 56.89 1j5i s SER 98 Cb -0.14 -1.97 -0.05 0.00 0.10 0.00 0.00 66.02 63.96 1j5i s SER 98 CO 0.07 -0.20 0.72 -1.81 0.98 0.00 0.00 173.24 173.00 1j5i s ASP 99 N -3.94 6.39 0.00 7.02 1.11 -1.26 -3.63 116.67 122.36 1j5i s ASP 99 Ca 0.38 0.92 0.19 0.00 0.18 0.00 0.00 52.55 54.22 1j5i s ASP 99 Cb -0.10 -2.24 0.59 0.00 1.07 0.00 0.00 42.92 42.25 1j5i s ASP 99 CO 0.33 -0.43 1.45 0.00 1.18 0.00 0.00 175.17 177.71 1j5i n ALA 100 N -1.65 2.48 0.29 5.23 0.00 -1.26 -3.45 120.51 122.15 1j5i n ALA 100 Ca 0.00 -0.64 0.11 0.00 0.00 0.00 0.00 53.44 52.91 1j5i n ALA 100 Cb 0.55 -1.02 -0.15 0.00 0.00 0.00 0.00 19.45 18.82 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 0.59 3.38 -1.32 0.00 0.00 -1.26 -5.00 120.51 116.90 1j5i n ALA 101 Ca 0.16 -0.54 0.00 0.00 0.00 0.00 0.00 53.44 53.06 1j5i n ALA 101 Cb 0.37 -0.74 0.00 0.00 0.00 0.00 0.00 19.45 19.08 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 1.34 0.54 3.59 0.00 0.00 -1.22 -5.09 105.19 104.35 1j5i n GLY 102 Ca -0.02 -0.35 -0.32 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.43 4.59 -0.66 1.61 0.01 -1.26 -4.98 114.94 111.82 1j5i s ASN 103 Ca 0.00 -0.15 -0.12 0.00 -0.71 0.00 0.00 52.86 51.87 1j5i s ASN 103 Cb 0.00 -1.06 -0.19 0.00 0.41 0.00 0.00 41.25 40.41 1j5i s ASN 103 CO 0.00 0.28 1.59 0.61 -1.51 0.00 0.00 177.10 178.08 1j5i n GLY 104 N 1.57 -0.33 3.61 0.66 0.00 -1.26 -4.48 105.19 104.96 1j5i n GLY 104 Ca -0.15 0.34 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 1j5i n GLY 104 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1j5i s PRO 105 N 5.24 3.66 0.30 1.61 0.04 -1.26 -4.99 135.00 139.60 1j5i s PRO 105 Ca 0.89 1.03 -0.28 0.00 0.04 0.00 0.00 61.00 62.68 1j5i s PRO 105 Cb -0.69 -3.99 -0.09 0.00 0.04 0.00 0.00 34.50 29.77 1j5i s PRO 105 CO 0.36 -1.45 0.98 -1.21 0.04 0.00 0.00 177.00 175.72 1j5i s GLU 106 N 4.74 4.63 0.25 4.56 8.01 -1.26 -4.99 118.70 134.64 1j5i s GLU 106 Ca 0.60 1.48 0.01 0.00 0.01 0.00 0.00 54.97 57.07 1j5i s GLU 106 Cb -0.15 -2.99 -0.03 0.00 -4.31 0.00 0.00 34.13 26.65 1j5i s GLU 106 CO 0.30 0.30 0.22 0.20 0.01 0.00 0.00 175.26 176.29 1j5i s GLY 107 N -1.34 1.67 -0.16 -1.39 0.00 -1.26 -4.21 107.32 100.62 1j5i s GLY 107 Ca 0.47 -1.76 -0.06 0.00 0.00 0.00 0.00 44.72 43.38 1j5i s GLY 107 CO 0.30 -1.35 0.04 0.54 0.00 0.00 0.00 173.10 172.63 1j5i s VAL 108 N -3.86 4.60 -0.91 1.40 0.11 0.15 -4.73 120.40 117.17 1j5i s VAL 108 Ca 0.38 -0.11 -0.24 0.00 -2.93 0.00 0.00 61.98 59.08 1j5i s VAL 108 Cb 0.05 -3.04 -0.01 0.00 -1.53 0.00 0.00 36.38 31.85 1j5i s VAL 108 CO 0.17 0.50 1.74 0.00 -3.33 0.00 0.00 175.10 174.18 1j5i s ALA 109 N 0.08 2.12 0.12 1.54 0.00 -1.26 -1.02 121.76 123.34 1j5i s ALA 109 Ca 0.04 -1.67 -0.26 0.00 0.00 0.00 0.00 51.96 50.07 1j5i s ALA 109 Cb -0.12 -4.51 -0.07 0.00 0.00 0.00 0.00 23.12 18.42 1j5i s ALA 109 CO 0.01 -4.25 0.80 -1.50 0.00 0.00 0.00 175.76 170.82 1j5i s ILE 110 N 8.04 4.49 0.00 0.00 -1.16 -0.67 -4.56 121.20 127.34 1j5i s ILE 110 Ca 0.60 1.74 0.00 0.00 -0.51 0.00 0.00 60.65 62.47 1j5i s ILE 110 Cb -0.05 -4.16 0.00 0.00 0.61 0.00 0.00 42.46 38.86 1j5i s ILE 110 CO -0.01 0.45 0.00 -0.24 -2.81 0.00 0.00 174.94 172.33 1j5i n SER 111 N 2.12 0.00 -4.02 4.50 2.88 -0.68 -4.11 113.62 114.30 1j5i n SER 111 Ca -0.04 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.40 1j5i n SER 111 Cb 0.49 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.84 1j5i n SER 111 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 1j5i s PHE 112 N 0.00 0.44 -2.00 0.66 5.36 -0.68 0.29 117.98 122.04 1j5i s PHE 112 Ca 0.00 -0.58 0.13 0.00 -0.96 0.00 0.00 56.93 55.52 1j5i s PHE 112 Cb 0.00 -0.29 0.76 0.00 -0.34 0.00 0.00 43.02 43.15 1j5i s PHE 112 CO 0.00 -0.17 1.19 -1.71 -1.46 0.00 0.00 175.22 173.07