#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 0.00 -0.86 0.00 0.00 -1.89 -3.18 119.26 113.33 1j5i h ALA 2 Ca 0.00 -0.73 -0.47 0.00 0.00 0.00 0.00 54.91 53.71 1j5i h ALA 2 Cb 0.00 0.10 -0.07 0.00 0.00 0.00 0.00 17.79 17.82 1j5i h ALA 2 CO 0.00 0.60 1.26 -1.25 0.00 0.00 0.00 179.25 179.86 1j5i s PRO 3 N -2.98 3.13 0.00 0.00 0.04 -1.26 -4.18 135.00 129.75 1j5i s PRO 3 Ca -0.10 -0.94 0.00 0.00 0.04 0.00 0.00 61.00 59.99 1j5i s PRO 3 Cb 0.05 -5.26 0.00 0.00 0.04 0.00 0.00 34.50 29.33 1j5i s PRO 3 CO 0.91 -2.86 0.00 0.25 0.04 0.00 0.00 177.00 175.34 1j5i n THR 4 N 7.30 0.00 -2.25 1.26 -2.24 -1.06 -4.24 114.28 113.05 1j5i n THR 4 Ca 0.39 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.75 1j5i n THR 4 Cb 0.48 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.68 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 -0.97 3.53 0.00 6.98 0.00 -1.24 -2.33 121.76 127.74 1j5i s ALA 5 Ca 0.00 1.01 0.01 0.00 0.00 0.00 0.00 51.96 52.98 1j5i s ALA 5 Cb 0.00 -3.51 -0.01 0.00 0.00 0.00 0.00 23.12 19.60 1j5i s ALA 5 CO 0.00 -0.59 -0.03 0.95 0.00 0.00 0.00 175.76 176.09 1j5i s THR 6 N 1.21 0.25 -0.17 0.00 -4.23 -0.46 -4.68 115.64 107.55 1j5i s THR 6 Ca 0.63 -0.25 -0.29 0.00 -1.18 0.00 0.00 61.69 60.60 1j5i s THR 6 Cb -0.34 -0.23 -0.01 0.00 1.34 0.00 0.00 72.50 73.26 1j5i s THR 6 CO 0.30 -0.00 1.17 -0.69 -0.54 0.00 0.00 174.62 174.85 1j5i s VAL 7 N -0.26 4.44 0.03 2.29 1.01 -1.26 -2.19 120.40 124.46 1j5i s VAL 7 Ca -0.01 1.74 -0.05 0.00 0.00 0.00 0.00 61.98 63.66 1j5i s VAL 7 Cb -0.02 -4.12 -0.01 0.00 0.00 0.00 0.00 36.38 32.22 1j5i s VAL 7 CO -0.00 -0.13 0.74 0.41 0.00 0.00 0.00 175.10 176.12 1j5i n THR 8 N 5.24 -0.11 0.00 3.92 -1.04 -0.71 -4.45 114.28 117.12 1j5i n THR 8 Ca 0.13 1.13 0.00 0.00 -2.04 0.00 0.00 64.05 63.27 1j5i n THR 8 Cb 0.46 -1.47 0.00 0.00 -1.82 0.00 0.00 70.33 67.50 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 -3.19 1.25 0.00 -2.82 -0.04 -1.26 -5.06 135.00 123.88 1j5i n PRO 9 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1j5i n PRO 9 Cb 0.04 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.50 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 0.00 0.07 -4.58 3.54 2.88 -1.26 -4.96 113.62 109.31 1j5i n SER 10 Ca 0.00 0.00 -0.39 0.00 -1.33 0.00 0.00 58.87 57.15 1j5i n SER 10 Cb 0.00 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 1j5i n SER 10 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1j5i s SER 11 N -4.13 6.30 0.00 -3.46 1.04 -1.26 -1.89 113.70 110.30 1j5i s SER 11 Ca 0.00 -2.09 0.19 0.00 0.48 0.00 0.00 55.95 54.52 1j5i s SER 11 Cb 0.00 -2.58 1.11 0.00 0.10 0.00 0.00 66.02 64.65 1j5i s SER 11 CO 0.00 -1.73 1.52 0.61 0.98 0.00 0.00 173.24 174.63 1j5i n GLY 12 N 5.71 -0.65 2.88 7.32 0.00 0.12 -4.37 105.19 116.19 1j5i n GLY 12 Ca 0.46 -0.12 -0.20 0.00 0.00 0.00 0.00 46.02 46.16 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 -0.95 2.90 -3.63 0.99 -0.00 -0.15 -4.55 117.00 111.62 1j5i n LEU 13 Ca 0.14 -2.17 -0.17 0.00 -0.00 0.00 0.00 56.01 53.81 1j5i n LEU 13 Cb 0.06 -0.86 -0.15 0.00 -0.00 0.00 0.00 43.42 42.48 1j5i n LEU 13 CO 0.10 -0.34 -0.21 -0.55 -0.00 0.00 0.00 177.39 176.39 1j5i s SER 14 N 4.45 0.85 -0.77 1.45 0.15 -1.26 -5.06 113.70 113.51 1j5i s SER 14 Ca 0.32 0.24 -0.15 0.00 0.70 0.00 0.00 55.95 57.06 1j5i s SER 14 Cb 0.08 0.37 -0.22 0.00 -1.71 0.00 0.00 66.02 64.54 1j5i s SER 14 CO 0.03 -0.26 1.86 0.47 1.20 0.00 0.00 173.24 176.54 1j5i n ASP 15 N 5.33 -0.52 -3.13 5.45 10.43 -1.26 0.40 116.55 133.25 1j5i n ASP 15 Ca -0.05 -0.17 -0.05 0.00 2.57 0.00 0.00 54.79 57.09 1j5i n ASP 15 Cb 0.50 -0.55 0.02 0.00 1.84 0.00 0.00 41.12 42.93 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 4.61 -1.22 3.60 0.44 0.00 -0.27 -4.87 105.19 107.49 1j5i n GLY 16 Ca 0.52 0.50 -0.43 0.00 0.00 0.00 0.00 46.02 46.61 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 -3.11 3.60 -0.41 2.61 2.01 0.16 -4.34 115.64 116.17 1j5i s THR 17 Ca 0.12 0.60 -0.25 0.00 0.31 0.00 0.00 61.69 62.47 1j5i s THR 17 Cb -0.02 -3.81 0.02 0.00 0.01 0.00 0.00 72.50 68.70 1j5i s THR 17 CO 0.75 -0.52 0.91 -0.69 -0.69 0.00 0.00 174.62 174.38 1j5i s VAL 18 N 6.47 4.55 0.23 3.82 1.01 -1.26 0.15 120.40 135.38 1j5i s VAL 18 Ca 0.74 0.98 0.05 0.00 0.00 0.00 0.00 61.98 63.75 1j5i s VAL 18 Cb -0.20 -4.36 -0.02 0.00 0.00 0.00 0.00 36.38 31.80 1j5i s VAL 18 CO 0.33 -0.65 0.18 1.33 0.00 0.00 0.00 175.10 176.30 1j5i n VAL 19 N 6.14 0.00 -4.84 2.92 0.24 -0.51 -4.99 118.33 117.29 1j5i n VAL 19 Ca 0.06 -1.68 -0.33 0.00 -2.04 0.00 0.00 64.34 60.36 1j5i n VAL 19 Cb 0.48 0.81 -0.14 0.00 -1.47 0.00 0.00 33.84 33.53 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 -2.95 3.03 -0.42 7.34 -2.85 -1.26 -1.64 119.74 120.99 1j5i s LYS 20 Ca 0.26 -0.70 -0.08 0.00 -1.00 0.00 0.00 55.97 54.45 1j5i s LYS 20 Cb 0.01 -2.52 0.08 0.00 -2.06 0.00 0.00 37.83 33.35 1j5i s LYS 20 CO 0.18 0.38 0.25 0.08 0.10 0.00 0.00 175.35 176.34 1j5i s VAL 21 N -0.08 4.08 -0.22 1.79 1.01 0.28 -1.74 120.40 125.52 1j5i s VAL 21 Ca -0.02 -1.49 -0.22 0.00 0.00 0.00 0.00 61.98 60.25 1j5i s VAL 21 Cb -0.14 -3.54 -0.02 0.00 0.00 0.00 0.00 36.38 32.69 1j5i s VAL 21 CO 0.04 -0.53 0.68 0.00 0.00 0.00 0.00 175.10 175.29 1j5i s ALA 22 N 1.39 3.58 -0.21 5.51 0.00 -0.93 -0.62 121.76 130.48 1j5i s ALA 22 Ca 0.03 -0.27 -0.09 0.00 0.00 0.00 0.00 51.96 51.63 1j5i s ALA 22 Cb -0.23 -3.06 -0.04 0.00 0.00 0.00 0.00 23.12 19.79 1j5i s ALA 22 CO 0.01 -0.69 0.11 0.20 0.00 0.00 0.00 175.76 175.38 1j5i s GLY 23 N 1.30 1.94 -0.32 0.00 0.00 0.17 -1.35 107.32 109.06 1j5i s GLY 23 Ca 0.30 -0.81 0.03 0.00 0.00 0.00 0.00 44.72 44.23 1j5i s GLY 23 CO 0.10 0.22 0.01 0.00 0.00 0.00 0.00 173.10 173.42 1j5i s ALA 24 N 0.69 2.80 0.00 3.20 0.00 -0.99 -1.16 121.76 126.31 1j5i s ALA 24 Ca 0.06 -2.26 0.00 0.00 0.00 0.00 0.00 51.96 49.75 1j5i s ALA 24 Cb -0.13 -1.87 0.00 0.00 0.00 0.00 0.00 23.12 21.12 1j5i s ALA 24 CO 0.01 -1.52 0.00 0.41 0.00 0.00 0.00 175.76 174.66 1j5i n GLY 25 N 4.34 0.74 0.00 0.00 0.00 0.26 -2.56 105.19 107.96 1j5i n GLY 25 Ca -0.03 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.60 1j5i n GLY 25 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1j5i n LEU 26 N 0.00 0.00 -4.52 0.99 -0.00 -0.34 -4.69 117.00 108.44 1j5i n LEU 26 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 56.01 55.87 1j5i n LEU 26 Cb 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 43.42 43.31 1j5i n LEU 26 CO 0.00 0.00 1.37 0.00 -0.00 0.00 0.00 177.39 178.76 1j5i n GLN 27 N 0.00 0.33 -1.52 1.96 1.13 -1.26 -4.63 117.38 113.39 1j5i n GLN 27 Ca 0.00 -0.75 -0.14 0.00 -1.94 0.00 0.00 57.00 54.17 1j5i n GLN 27 Cb 0.00 -3.00 -0.10 0.00 0.11 0.00 0.00 30.24 27.25 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 15.28 0.44 -0.86 -1.58 0.00 -1.26 -1.04 120.51 131.50 1j5i n ALA 28 Ca 0.48 -1.44 0.00 0.00 0.00 0.00 0.00 53.44 52.48 1j5i n ALA 28 Cb 0.38 -3.01 0.00 0.00 0.00 0.00 0.00 19.45 16.82 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 6.35 0.56 2.51 0.00 0.00 0.98 -4.76 105.19 110.84 1j5i n GLY 29 Ca 0.47 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.34 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 -2.14 0.00 -3.71 2.61 -2.24 -0.20 -4.80 114.28 103.79 1j5i n THR 30 Ca 0.00 -1.00 -0.19 0.00 -2.27 0.00 0.00 64.05 60.59 1j5i n THR 30 Cb 0.04 -1.10 -0.17 0.00 -2.10 0.00 0.00 70.33 67.00 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 -3.08 0.25 0.06 6.98 0.00 -1.26 -1.60 121.76 123.11 1j5i s ALA 31 Ca 0.43 0.18 0.00 0.00 0.00 0.00 0.00 51.96 52.57 1j5i s ALA 31 Cb -0.02 -0.54 0.00 0.00 0.00 0.00 0.00 23.12 22.55 1j5i s ALA 31 CO 0.29 -0.39 0.01 0.66 0.00 0.00 0.00 175.76 176.33 1j5i n TYR 32 N 5.01 -0.21 -3.82 0.00 4.02 0.15 -4.78 117.16 117.53 1j5i n TYR 32 Ca -0.10 -0.28 -0.37 0.00 -0.01 0.00 0.00 57.90 57.15 1j5i n TYR 32 Cb 0.50 -0.04 -0.13 0.00 -0.02 0.00 0.00 39.34 39.65 1j5i n TYR 32 CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 176.86 176.01 1j5i s ASP 33 N -1.32 5.10 0.22 7.72 1.47 -0.85 0.32 116.67 129.33 1j5i s ASP 33 Ca 0.01 -1.15 -0.30 0.00 1.18 0.00 0.00 52.55 52.29 1j5i s ASP 33 Cb -0.00 -1.80 -0.08 0.00 -0.34 0.00 0.00 42.92 40.69 1j5i s ASP 33 CO 0.00 -0.28 0.94 -0.69 0.68 0.00 0.00 175.17 175.82 1j5i s VAL 34 N 1.35 4.16 0.00 2.11 1.01 -0.33 -0.18 120.40 128.52 1j5i s VAL 34 Ca -0.03 2.07 0.00 0.00 0.00 0.00 0.00 61.98 64.02 1j5i s VAL 34 Cb -0.19 -4.32 0.00 0.00 0.00 0.00 0.00 36.38 31.87 1j5i s VAL 34 CO 0.01 0.47 0.00 0.61 0.00 0.00 0.00 175.10 176.19 1j5i n GLY 35 N 1.62 0.86 3.38 4.51 0.00 0.49 -0.01 105.19 116.04 1j5i n GLY 35 Ca -0.01 -0.62 -0.45 0.00 0.00 0.00 0.00 46.02 44.94 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 3.21 0.18 1.61 -0.21 -1.26 -0.96 119.66 120.22 1j5i s GLN 36 Ca 0.00 -1.56 0.06 0.00 0.02 0.00 0.00 55.36 53.88 1j5i s GLN 36 Cb 0.00 -4.39 -0.04 0.00 1.00 0.00 0.00 33.01 29.59 1j5i s GLN 36 CO 0.00 -1.54 0.11 0.00 -2.12 0.00 0.00 175.29 171.74 1j5i n ALA 38 N -0.40 0.00 -1.68 0.00 0.00 -0.65 -1.42 120.51 116.36 1j5i n ALA 38 Ca -0.08 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.93 1j5i n ALA 38 Cb 0.55 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.97 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 1.30 -0.26 0.00 1.48 -1.26 -1.29 118.94 116.90 1j5i s TRP 39 Ca 0.00 -0.34 -0.06 0.00 -1.06 0.00 0.00 56.10 54.65 1j5i s TRP 39 Cb 0.00 -4.20 -0.15 0.00 -1.16 0.00 0.00 33.47 27.96 1j5i s TRP 39 CO 0.00 -5.35 -0.27 1.55 -4.06 0.00 0.00 176.95 168.82 1j5i n VAL 40 N 5.77 1.51 -0.22 -0.66 3.14 -0.63 -4.63 118.33 122.62 1j5i n VAL 40 Ca 0.21 -0.48 0.00 0.00 -2.96 0.00 0.00 64.34 61.10 1j5i n VAL 40 Cb 0.42 -1.64 0.00 0.00 -1.06 0.00 0.00 33.84 31.56 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 -3.72 0.00 -2.57 6.55 2.03 -1.19 -4.83 116.55 112.81 1j5i n ASP 41 Ca -0.49 0.00 -0.21 0.00 0.52 0.00 0.00 54.79 54.61 1j5i n ASP 41 Cb 0.94 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 41.24 1j5i n ASP 41 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35 1j5i n THR 42 N 0.00 3.20 0.00 5.18 5.66 -1.26 -4.06 114.28 123.00 1j5i n THR 42 Ca 0.00 -1.76 0.00 0.00 -3.05 0.00 0.00 64.05 59.24 1j5i n THR 42 Cb 0.00 -2.18 0.00 0.00 -1.55 0.00 0.00 70.33 66.60 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 3.01 0.32 3.61 1.09 0.00 -1.26 -5.04 105.19 106.93 1j5i n GLY 43 Ca 0.52 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 46.11 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 3.66 -0.15 1.61 1.01 -1.26 -4.80 120.40 118.47 1j5i s VAL 44 Ca 0.00 0.71 -0.29 0.00 0.00 0.00 0.00 61.98 62.40 1j5i s VAL 44 Cb 0.00 -3.77 -0.06 0.00 0.00 0.00 0.00 36.38 32.55 1j5i s VAL 44 CO 0.00 -0.40 2.15 -0.22 0.00 0.00 0.00 175.10 176.62 1j5i s LEU 45 N 5.79 3.72 -0.03 3.92 1.98 -1.26 -1.60 118.68 131.20 1j5i s LEU 45 Ca 0.73 2.11 0.05 0.00 -2.89 0.00 0.00 54.13 54.12 1j5i s LEU 45 Cb -0.22 -3.52 -0.01 0.00 0.66 0.00 0.00 46.19 43.10 1j5i s LEU 45 CO 0.31 -1.71 -0.17 0.00 -1.89 0.00 0.00 176.35 172.89 1j5i s ALA 46 N 7.23 1.48 0.12 5.97 0.00 -0.41 -0.44 121.76 135.71 1j5i s ALA 46 Ca 0.97 -0.71 0.04 0.00 0.00 0.00 0.00 51.96 52.26 1j5i s ALA 46 Cb -0.36 -0.44 -0.04 0.00 0.00 0.00 0.00 23.12 22.28 1j5i s ALA 46 CO 0.37 0.31 0.11 0.00 0.00 0.00 0.00 175.76 176.55 1j5i s ASN 48 N -2.72 5.45 0.00 0.00 0.02 -1.20 0.70 114.94 117.19 1j5i s ASN 48 Ca 0.30 0.92 0.22 0.00 -1.02 0.00 0.00 52.86 53.28 1j5i s ASN 48 Cb -0.11 -1.78 0.96 0.00 0.02 0.00 0.00 41.25 40.34 1j5i s ASN 48 CO 0.23 -1.26 1.71 -0.81 0.02 0.00 0.00 177.10 176.99 1j5i n PRO 49 N -2.84 0.04 -0.44 -0.60 -0.04 -1.25 -2.09 135.00 127.79 1j5i n PRO 49 Ca 0.06 0.12 0.08 0.00 -0.04 0.00 0.00 63.50 63.72 1j5i n PRO 49 Cb 0.58 -1.50 0.27 0.00 -0.04 0.00 0.00 33.50 32.81 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 -1.47 2.80 1.17 0.55 0.00 -1.26 -4.30 120.51 118.00 1j5i n ALA 50 Ca 0.06 -1.67 0.06 0.00 0.00 0.00 0.00 53.44 51.89 1j5i n ALA 50 Cb 0.25 -0.76 0.19 0.00 0.00 0.00 0.00 19.45 19.13 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 0.49 1.45 -4.22 0.00 2.03 -0.89 -4.51 116.55 110.90 1j5i n ASP 51 Ca 0.20 -1.92 -0.42 0.00 0.52 0.00 0.00 54.79 53.17 1j5i n ASP 51 Cb 0.76 -0.16 -0.06 0.00 -0.72 0.00 0.00 41.12 40.93 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 -1.67 3.53 -0.42 -0.67 0.08 -1.21 -2.87 117.98 114.75 1j5i s PHE 52 Ca 0.21 -2.16 0.04 0.00 0.12 0.00 0.00 56.93 55.15 1j5i s PHE 52 Cb 0.11 -3.53 0.17 0.00 -0.57 0.00 0.00 43.02 39.20 1j5i s PHE 52 CO 0.15 -0.95 0.42 -1.12 -0.10 0.00 0.00 175.22 173.63 1j5i s SER 53 N 1.91 0.84 0.21 1.36 0.01 0.99 -4.96 113.70 114.06 1j5i s SER 53 Ca 0.13 -2.24 -0.21 0.00 1.31 0.00 0.00 55.95 54.95 1j5i s SER 53 Cb -0.19 0.39 -0.14 0.00 0.21 0.00 0.00 66.02 66.29 1j5i s SER 53 CO -0.04 -0.18 0.32 -1.54 0.41 0.00 0.00 173.24 172.21 1j5i n SER 54 N 3.42 -1.40 -3.82 2.44 3.41 -1.26 -1.19 113.62 115.22 1j5i n SER 54 Ca 0.20 0.85 -0.09 0.00 -0.26 0.00 0.00 58.87 59.56 1j5i n SER 54 Cb 0.48 -0.76 -0.07 0.00 -0.26 0.00 0.00 64.21 63.60 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 -0.97 0.13 -0.10 -3.33 0.11 0.15 -4.67 120.40 111.72 1j5i s VAL 55 Ca 0.51 -1.08 -0.08 0.00 -2.93 0.00 0.00 61.98 58.40 1j5i s VAL 55 Cb -0.69 -1.29 0.03 0.00 -1.53 0.00 0.00 36.38 32.90 1j5i s VAL 55 CO 0.47 -0.60 0.27 0.28 -3.33 0.00 0.00 175.10 172.19 1j5i s THR 56 N -3.79 -0.01 -0.07 5.04 -1.32 -1.26 0.31 115.64 114.54 1j5i s THR 56 Ca 0.04 0.04 -0.02 0.00 -1.21 0.00 0.00 61.69 60.55 1j5i s THR 56 Cb 0.04 -0.39 -0.03 0.00 -1.51 0.00 0.00 72.50 70.61 1j5i s THR 56 CO -0.11 0.02 0.02 0.00 -2.21 0.00 0.00 174.62 172.33 1j5i s ALA 57 N 0.47 3.34 0.86 11.08 0.00 -0.63 -4.51 121.76 132.37 1j5i s ALA 57 Ca -0.03 -0.82 -0.11 0.00 0.00 0.00 0.00 51.96 51.00 1j5i s ALA 57 Cb -0.04 -1.49 0.11 0.00 0.00 0.00 0.00 23.12 21.70 1j5i s ALA 57 CO -0.02 0.61 1.15 -0.51 0.00 0.00 0.00 175.76 176.98 1j5i s ASP 58 N -1.06 3.40 0.57 0.00 -0.00 0.98 -0.01 116.67 120.55 1j5i s ASP 58 Ca 0.15 2.16 0.44 0.00 -0.00 0.00 0.00 52.55 55.31 1j5i s ASP 58 Cb -0.11 -2.56 1.56 0.00 -0.00 0.00 0.00 42.92 41.80 1j5i s ASP 58 CO 0.04 -2.78 1.55 0.00 -0.00 0.00 0.00 175.17 173.98 1j5i h ALA 59 N -1.47 3.61 -0.41 5.23 0.00 -1.86 2.78 119.26 127.14 1j5i h ALA 59 Ca -0.44 -0.06 -0.25 0.00 0.00 0.00 0.00 54.91 54.16 1j5i h ALA 59 Cb 1.27 0.13 -0.12 0.00 0.00 0.00 0.00 17.79 19.06 1j5i h ALA 59 CO 0.45 -2.20 0.32 -1.71 0.00 0.00 0.00 179.25 176.11 1j5i n ASN 60 N -3.82 4.84 -4.19 0.00 5.15 -1.26 -4.27 115.26 111.71 1j5i n ASN 60 Ca 0.38 -2.82 -0.36 0.00 -0.60 0.00 0.00 54.58 51.18 1j5i n ASN 60 Cb 1.84 -0.86 -0.06 0.00 -0.53 0.00 0.00 39.78 40.17 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 0.17 -0.43 3.32 8.20 0.00 0.93 -4.23 105.19 113.15 1j5i n GLY 61 Ca 0.25 0.08 -0.46 0.00 0.00 0.00 0.00 46.02 45.89 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 -3.09 6.34 -0.98 1.61 0.01 -0.96 0.89 113.70 117.53 1j5i s SER 62 Ca 0.70 -1.99 -0.05 0.00 1.31 0.00 0.00 55.95 55.92 1j5i s SER 62 Cb -0.40 -2.22 0.24 0.00 0.21 0.00 0.00 66.02 63.85 1j5i s SER 62 CO 0.86 -0.82 0.91 0.00 0.41 0.00 0.00 173.24 174.61 1j5i s ALA 63 N 1.36 4.44 -1.22 1.44 0.00 -0.31 -0.02 121.76 127.45 1j5i s ALA 63 Ca 0.08 -3.81 -0.12 0.00 0.00 0.00 0.00 51.96 48.12 1j5i s ALA 63 Cb -0.24 -3.17 0.18 0.00 0.00 0.00 0.00 23.12 19.89 1j5i s ALA 63 CO 0.00 -2.18 1.55 -1.13 0.00 0.00 0.00 175.76 174.01 1j5i n SER 64 N 2.59 5.24 -4.62 0.00 3.41 -1.26 0.45 113.62 119.44 1j5i n SER 64 Ca 0.22 -3.04 -0.34 0.00 -0.26 0.00 0.00 58.87 55.46 1j5i n SER 64 Cb 0.38 -1.52 -0.10 0.00 -0.26 0.00 0.00 64.21 62.71 1j5i n SER 64 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1j5i s THR 65 N 0.89 3.86 0.14 6.66 -1.32 0.21 -4.88 115.64 121.20 1j5i s THR 65 Ca 0.41 -0.52 0.03 0.00 -1.21 0.00 0.00 61.69 60.40 1j5i s THR 65 Cb 0.01 -2.63 -0.04 0.00 -1.51 0.00 0.00 72.50 68.33 1j5i s THR 65 CO 0.00 0.53 0.21 -0.94 -2.21 0.00 0.00 174.62 172.21 1j5i s SER 66 N -1.05 6.00 0.23 8.08 1.04 -1.26 0.99 113.70 127.73 1j5i s SER 66 Ca 0.14 0.06 -0.20 0.00 0.48 0.00 0.00 55.95 56.44 1j5i s SER 66 Cb -0.11 -1.72 0.03 0.00 0.10 0.00 0.00 66.02 64.32 1j5i s SER 66 CO 0.04 0.08 0.63 -0.22 0.98 0.00 0.00 173.24 174.75 1j5i s LEU 67 N -3.05 -0.20 -0.10 2.42 2.96 -0.65 -4.87 118.68 115.19 1j5i s LEU 67 Ca 0.33 -0.49 -0.03 0.00 -0.22 0.00 0.00 54.13 53.72 1j5i s LEU 67 Cb -0.11 2.49 -0.03 0.00 0.50 0.00 0.00 46.19 49.04 1j5i s LEU 67 CO 0.26 -1.19 0.01 -0.89 -1.32 0.00 0.00 176.35 173.22 1j5i s THR 68 N -3.88 4.41 -1.13 3.68 2.01 -1.26 -1.42 115.64 118.04 1j5i s THR 68 Ca 0.10 -0.20 -0.16 0.00 0.31 0.00 0.00 61.69 61.73 1j5i s THR 68 Cb -0.03 -2.88 0.15 0.00 0.01 0.00 0.00 72.50 69.75 1j5i s THR 68 CO 0.01 0.59 1.38 -0.69 -0.69 0.00 0.00 174.62 175.21 1j5i s VAL 69 N -0.70 4.83 -1.31 3.82 1.01 0.40 -4.73 120.40 123.71 1j5i s VAL 69 Ca 0.11 -2.22 -0.08 0.00 0.00 0.00 0.00 61.98 59.79 1j5i s VAL 69 Cb -0.12 -4.91 0.14 0.00 0.00 0.00 0.00 36.38 31.50 1j5i s VAL 69 CO 0.02 -1.64 2.08 0.54 0.00 0.00 0.00 175.10 176.11 1j5i n ARG 70 N 6.24 3.88 -0.49 2.72 1.74 -1.26 -1.11 116.66 128.38 1j5i n ARG 70 Ca 0.34 -3.42 0.39 0.00 -0.77 0.00 0.00 57.85 54.38 1j5i n ARG 70 Cb 0.45 -2.85 0.61 0.00 -1.02 0.00 0.00 32.46 29.66 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 3.30 -0.01 -2.97 5.56 0.63 -1.26 -3.46 116.66 118.45 1j5i n ARG 71 Ca 0.48 0.93 -0.43 0.00 -0.92 0.00 0.00 57.85 57.91 1j5i n ARG 71 Cb 0.32 -2.00 -0.05 0.00 0.45 0.00 0.00 32.46 31.18 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 -4.07 6.33 0.21 6.15 1.04 -1.22 -0.15 113.70 121.99 1j5i s SER 72 Ca -0.05 -0.40 -0.19 0.00 0.48 0.00 0.00 55.95 55.79 1j5i s SER 72 Cb 0.23 -2.38 0.03 0.00 0.10 0.00 0.00 66.02 64.00 1j5i s SER 72 CO 0.69 -1.02 0.58 0.72 0.98 0.00 0.00 173.24 175.20 1j5i s PHE 73 N 3.35 -0.20 -0.93 5.02 -0.12 -0.56 -4.90 117.98 119.64 1j5i s PHE 73 Ca 0.26 -0.15 -0.14 0.00 -0.05 0.00 0.00 56.93 56.85 1j5i s PHE 73 Cb -0.14 0.49 0.20 0.00 -0.63 0.00 0.00 43.02 42.94 1j5i s PHE 73 CO 0.19 -0.98 0.97 -2.00 -0.05 0.00 0.00 175.22 173.35 1j5i s GLU 74 N -3.87 3.75 0.97 1.99 2.12 -1.26 0.17 118.70 122.57 1j5i s GLU 74 Ca 0.09 -2.43 -0.14 0.00 0.36 0.00 0.00 54.97 52.85 1j5i s GLU 74 Cb -0.02 -4.63 0.02 0.00 0.26 0.00 0.00 34.13 29.76 1j5i s GLU 74 CO -0.02 -1.45 0.20 0.41 -0.54 0.00 0.00 175.26 173.87 1j5i n GLY 75 N 4.15 -2.39 2.68 -1.50 0.00 0.23 -3.85 105.19 104.51 1j5i n GLY 75 Ca 0.20 -0.75 -0.22 0.00 0.00 0.00 0.00 46.02 45.25 1j5i n GLY 75 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1j5i s PHE 76 N -2.33 0.05 0.28 1.61 0.40 0.22 -1.22 117.98 116.99 1j5i s PHE 76 Ca 0.54 0.10 -0.30 0.00 -0.60 0.00 0.00 56.93 56.67 1j5i s PHE 76 Cb -0.20 -0.52 -0.12 0.00 0.51 0.00 0.00 43.02 42.69 1j5i s PHE 76 CO 0.69 -0.35 1.50 1.28 0.70 0.00 0.00 175.22 179.05 1j5i n LEU 77 N 5.30 3.88 0.09 -0.37 4.77 0.12 -0.95 117.00 129.85 1j5i n LEU 77 Ca -0.05 1.15 0.16 0.00 -0.03 0.00 0.00 56.01 57.24 1j5i n LEU 77 Cb 0.50 -1.53 0.67 0.00 -2.33 0.00 0.00 43.42 40.72 1j5i n LEU 77 CO 0.07 -0.12 1.14 2.19 -1.33 0.00 0.00 177.39 179.35 1j5i h PHE 78 N 4.31 0.02 -0.24 -1.77 -5.15 -1.01 0.93 116.94 114.03 1j5i h PHE 78 Ca -0.46 0.00 0.07 0.00 -0.20 0.00 0.00 57.97 57.38 1j5i h PHE 78 Cb 1.25 -0.01 -0.01 0.00 0.22 0.00 0.00 35.95 37.40 1j5i h PHE 78 CO 0.57 0.01 0.51 0.22 -2.00 0.00 0.00 178.31 177.61 1j5i h ASP 79 N 0.02 0.00 0.00 -0.68 1.82 -1.88 -3.43 116.42 112.26 1j5i h ASP 79 Ca 0.16 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.80 1j5i h ASP 79 Cb 0.64 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.65 1j5i h ASP 79 CO -0.00 0.00 0.00 0.61 -1.61 0.00 0.00 179.24 178.24 1j5i n GLY 80 N -1.39 1.97 3.75 -0.78 0.00 0.31 -5.09 105.19 103.96 1j5i n GLY 80 Ca 0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.07 4.97 0.23 2.61 2.01 -1.19 -4.89 115.64 117.32 1j5i s THR 81 Ca 0.00 1.24 -0.30 0.00 0.31 0.00 0.00 61.69 62.95 1j5i s THR 81 Cb 0.00 -3.94 -0.09 0.00 0.01 0.00 0.00 72.50 68.49 1j5i s THR 81 CO 0.00 0.37 1.01 0.00 -0.69 0.00 0.00 174.62 175.31 1j5i s ARG 82 N 0.10 4.74 0.00 4.92 3.03 -1.26 0.16 118.95 130.64 1j5i s ARG 82 Ca 0.32 1.61 0.00 0.00 2.03 0.00 0.00 55.73 59.68 1j5i s ARG 82 Cb -0.18 -3.26 0.00 0.00 -1.03 0.00 0.00 34.95 30.48 1j5i s ARG 82 CO 0.16 0.34 0.00 1.87 -1.13 0.00 0.00 175.30 176.54 1j5i n TRP 83 N 1.67 0.00 0.00 5.89 -0.00 -0.40 -4.78 117.44 119.83 1j5i n TRP 83 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.49 1j5i n TRP 83 Cb 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.77 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 0.76 2.52 5.87 0.00 -0.36 -4.80 105.19 112.56 1j5i n GLY 84 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.66 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 0.78 114.28 115.37 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 -1.56 12.58 0.31 0.13 -4.60 118.33 125.19 1j5i n VAL 86 Ca 0.00 0.00 -0.14 0.00 -0.01 0.00 0.00 64.34 64.19 1j5i n VAL 86 Cb 0.00 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 32.85 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 9.06 1.63 -3.18 4.52 2.03 -1.26 -1.49 116.55 127.86 1j5i n ASP 87 Ca 0.00 -1.42 -0.22 0.00 0.52 0.00 0.00 54.79 53.67 1j5i n ASP 87 Cb 0.00 -1.60 -0.02 0.00 -0.72 0.00 0.00 41.12 38.78 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 4.21 0.03 -0.08 0.00 5.66 -1.26 -4.53 114.28 118.30 1j5i n THR 89 Ca 0.44 -0.48 -0.12 0.00 -3.05 0.00 0.00 64.05 60.85 1j5i n THR 89 Cb 0.13 0.03 -0.06 0.00 -1.55 0.00 0.00 70.33 68.88 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 0.46 -3.38 1.09 2.02 -1.99 -3.47 112.91 107.64 1j5i h THR 90 Ca 0.00 -1.55 -0.51 0.00 0.77 0.00 0.00 66.41 65.12 1j5i h THR 90 Cb 0.97 1.08 -0.01 0.00 -1.74 0.00 0.00 68.15 68.46 1j5i h THR 90 CO 0.00 0.16 -0.05 0.00 0.37 0.00 0.00 175.52 175.99 1j5i s ALA 91 N -2.54 3.53 -0.21 6.16 0.00 -1.26 -5.05 121.76 122.38 1j5i s ALA 91 Ca -0.20 -0.43 -0.19 0.00 0.00 0.00 0.00 51.96 51.14 1j5i s ALA 91 Cb 0.03 -2.44 -0.03 0.00 0.00 0.00 0.00 23.12 20.69 1j5i s ALA 91 CO 0.38 0.17 0.57 0.00 0.00 0.00 0.00 175.76 176.88 1j5i s ALA 92 N -2.17 3.56 -0.20 0.00 0.00 -1.26 -4.83 121.76 116.86 1j5i s ALA 92 Ca 0.46 -0.39 -0.19 0.00 0.00 0.00 0.00 51.96 51.85 1j5i s ALA 92 Cb -0.11 -2.90 -0.03 0.00 0.00 0.00 0.00 23.12 20.09 1j5i s ALA 92 CO 0.30 -0.55 0.54 0.00 0.00 0.00 0.00 175.76 176.04 1j5i s GLN 94 N 1.66 3.69 -0.44 0.00 -0.21 -0.51 -1.52 119.66 122.33 1j5i s GLN 94 Ca 0.25 -0.51 -0.23 0.00 0.02 0.00 0.00 55.36 54.90 1j5i s GLN 94 Cb -0.15 -3.73 0.02 0.00 1.00 0.00 0.00 33.01 30.15 1j5i s GLN 94 CO 0.10 -0.33 0.75 0.08 -2.12 0.00 0.00 175.29 173.78 1j5i s VAL 95 N 1.73 4.69 0.28 1.09 1.01 -0.49 -0.01 120.40 128.71 1j5i s VAL 95 Ca 0.06 0.38 -0.21 0.00 0.00 0.00 0.00 61.98 62.22 1j5i s VAL 95 Cb -0.17 -4.29 0.03 0.00 0.00 0.00 0.00 36.38 31.95 1j5i s VAL 95 CO 0.10 -0.68 0.75 -0.83 0.00 0.00 0.00 175.10 174.45 1j5i s GLY 96 N 2.10 -0.03 -0.14 4.51 0.00 -0.14 -1.22 107.32 112.39 1j5i s GLY 96 Ca 0.28 -0.34 -0.04 0.00 0.00 0.00 0.00 44.72 44.62 1j5i s GLY 96 CO 0.22 -0.09 0.01 0.48 0.00 0.00 0.00 173.10 173.72 1j5i s LEU 97 N -2.95 3.57 0.35 0.66 2.34 -1.26 -0.38 118.68 121.01 1j5i s LEU 97 Ca 0.12 0.04 -0.01 0.00 0.06 0.00 0.00 54.13 54.34 1j5i s LEU 97 Cb -0.05 -1.86 -0.04 0.00 -0.56 0.00 0.00 46.19 43.68 1j5i s LEU 97 CO 0.07 0.25 0.58 -0.55 -1.06 0.00 0.00 176.35 175.64 1j5i s SER 98 N -0.09 6.32 0.64 1.48 0.15 0.75 -4.17 113.70 118.79 1j5i s SER 98 Ca 0.04 0.57 -0.11 0.00 0.70 0.00 0.00 55.95 57.16 1j5i s SER 98 Cb -0.13 -2.09 -0.03 0.00 -1.71 0.00 0.00 66.02 62.07 1j5i s SER 98 CO 0.02 -0.31 1.04 -1.81 1.20 0.00 0.00 173.24 173.38 1j5i s ASP 99 N -3.84 6.08 -0.01 5.45 1.11 -0.62 -2.01 116.67 122.82 1j5i s ASP 99 Ca 0.42 1.41 0.07 0.00 0.18 0.00 0.00 52.55 54.63 1j5i s ASP 99 Cb -0.10 -2.42 0.23 0.00 1.07 0.00 0.00 42.92 41.71 1j5i s ASP 99 CO 0.36 -0.97 1.15 0.00 1.18 0.00 0.00 175.17 176.89 1j5i n ALA 100 N -2.81 2.54 -0.08 5.23 0.00 -1.26 -3.91 120.51 120.22 1j5i n ALA 100 Ca 0.06 -0.48 -0.08 0.00 0.00 0.00 0.00 53.44 52.95 1j5i n ALA 100 Cb 0.54 -0.99 -0.03 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 0.24 0.64 0.00 0.00 0.00 -1.26 -5.02 120.51 115.10 1j5i n ALA 101 Ca 0.09 -0.58 0.00 0.00 0.00 0.00 0.00 53.44 52.95 1j5i n ALA 101 Cb 0.27 -0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.71 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 1.54 0.00 3.24 0.00 0.00 -1.25 -5.18 105.19 103.55 1j5i n GLY 102 Ca -0.12 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.06 -0.38 1.61 0.01 -1.26 -5.05 114.94 109.82 1j5i s ASN 103 Ca 0.00 -0.38 0.11 0.00 -0.71 0.00 0.00 52.86 51.88 1j5i s ASN 103 Cb 0.00 0.37 0.32 0.00 0.41 0.00 0.00 41.25 42.35 1j5i s ASN 103 CO 0.00 -0.69 0.69 0.61 -1.51 0.00 0.00 177.10 176.20 1j5i n GLY 104 N 0.22 3.29 0.17 0.66 0.00 -1.26 -1.59 105.19 106.68 1j5i n GLY 104 Ca -0.17 -1.59 0.13 0.00 0.00 0.00 0.00 46.02 44.40 1j5i n GLY 104 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1j5i h PRO 105 N 3.26 0.00 -6.27 1.61 0.13 -1.99 -3.44 132.00 125.30 1j5i h PRO 105 Ca 0.08 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.65 1j5i h PRO 105 Cb 0.95 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.04 1j5i h PRO 105 CO 0.48 0.00 -0.03 -1.21 -0.23 0.00 0.00 178.00 177.01 1j5i s GLU 106 N -3.30 4.18 0.00 0.86 8.01 -1.26 -5.00 118.70 122.19 1j5i s GLU 106 Ca 0.06 0.72 0.00 0.00 0.01 0.00 0.00 54.97 55.77 1j5i s GLU 106 Cb 0.09 -3.18 0.00 0.00 -4.31 0.00 0.00 34.13 26.74 1j5i s GLU 106 CO 0.54 0.60 0.00 0.41 0.01 0.00 0.00 175.26 176.82 1j5i n GLY 107 N 1.53 2.81 3.46 -1.39 0.00 -1.26 -4.27 105.19 106.08 1j5i n GLY 107 Ca -0.09 0.02 -0.37 0.00 0.00 0.00 0.00 46.02 45.58 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 0.00 4.43 -0.71 1.61 0.11 -0.36 -4.65 120.40 120.83 1j5i s VAL 108 Ca 0.00 -0.16 -0.25 0.00 -2.93 0.00 0.00 61.98 58.64 1j5i s VAL 108 Cb 0.00 -3.10 -0.13 0.00 -1.53 0.00 0.00 36.38 31.62 1j5i s VAL 108 CO 0.00 0.31 2.41 0.00 -3.33 0.00 0.00 175.10 174.49 1j5i n ALA 109 N 4.94 0.51 -2.80 1.54 0.00 -1.26 -1.40 120.51 122.04 1j5i n ALA 109 Ca -0.16 -1.20 -0.32 0.00 0.00 0.00 0.00 53.44 51.77 1j5i n ALA 109 Cb 0.51 -3.19 -0.04 0.00 0.00 0.00 0.00 19.45 16.73 1j5i n ALA 109 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1j5i s ILE 110 N 13.16 5.29 0.00 0.00 -1.09 -0.57 -4.73 121.20 133.26 1j5i s ILE 110 Ca 0.98 -0.14 0.00 0.00 -2.23 0.00 0.00 60.65 59.25 1j5i s ILE 110 Cb -0.21 -3.62 0.00 0.00 -1.58 0.00 0.00 42.46 37.05 1j5i s ILE 110 CO 0.17 0.13 0.00 -0.24 -1.23 0.00 0.00 174.94 173.77 1j5i n SER 111 N 0.33 0.00 -3.78 3.58 2.88 -0.79 -4.25 113.62 111.58 1j5i n SER 111 Ca -0.05 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.36 1j5i n SER 111 Cb 0.52 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.84 1j5i n SER 111 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 1j5i s PHE 112 N 0.00 -0.20 -1.74 0.66 -0.12 -1.06 0.13 117.98 115.65 1j5i s PHE 112 Ca 0.00 0.51 0.00 0.00 -0.05 0.00 0.00 56.93 57.39 1j5i s PHE 112 Cb 0.00 0.01 0.00 0.00 -0.63 0.00 0.00 43.02 42.40 1j5i s PHE 112 CO 0.00 -0.14 0.44 0.27 -0.05 0.00 0.00 175.22 175.74