#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 -2.61 0.03 0.00 0.00 -1.26 -4.95 120.51 111.72 1j5i n ALA 2 Ca 0.00 -0.19 -0.02 0.00 0.00 0.00 0.00 53.44 53.24 1j5i n ALA 2 Cb 0.00 -2.54 -0.01 0.00 0.00 0.00 0.00 19.45 16.90 1j5i n ALA 2 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1j5i h PRO 3 N -0.86 -0.10 0.00 0.00 0.13 -1.98 -3.50 132.00 125.70 1j5i h PRO 3 Ca -0.49 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1j5i h PRO 3 Cb 1.28 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.43 1j5i h PRO 3 CO 0.40 -0.06 0.00 0.25 -0.23 0.00 0.00 178.00 178.36 1j5i n THR 4 N -2.87 0.00 -1.53 1.56 -2.24 -0.81 -4.37 114.28 104.02 1j5i n THR 4 Ca -0.01 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.35 1j5i n THR 4 Cb 0.04 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.22 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 0.10 1.05 -2.97 6.98 0.00 -1.16 -3.90 120.51 120.61 1j5i n ALA 5 Ca 0.00 -0.51 -0.09 0.00 0.00 0.00 0.00 53.44 52.84 1j5i n ALA 5 Cb 0.00 -2.90 -0.11 0.00 0.00 0.00 0.00 19.45 16.44 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 9.87 0.10 -0.08 0.00 -4.23 -0.20 -4.01 115.64 117.08 1j5i s THR 6 Ca 1.05 -0.79 -0.29 0.00 -1.18 0.00 0.00 61.69 60.48 1j5i s THR 6 Cb -0.48 -0.24 -0.02 0.00 1.34 0.00 0.00 72.50 73.11 1j5i s THR 6 CO 0.36 -0.44 0.98 -0.69 -0.54 0.00 0.00 174.62 174.29 1j5i s VAL 7 N -1.28 4.82 0.00 2.29 1.01 -1.26 -1.68 120.40 124.30 1j5i s VAL 7 Ca -0.14 2.00 0.00 0.00 0.00 0.00 0.00 61.98 63.84 1j5i s VAL 7 Cb -0.09 -4.29 0.00 0.00 0.00 0.00 0.00 36.38 32.00 1j5i s VAL 7 CO -0.01 0.05 0.51 0.41 0.00 0.00 0.00 175.10 176.07 1j5i n THR 8 N 4.38 0.00 -0.20 3.92 -1.04 -0.61 -4.45 114.28 116.27 1j5i n THR 8 Ca 0.07 0.79 0.00 0.00 -2.04 0.00 0.00 64.05 62.87 1j5i n THR 8 Cb 0.49 -1.06 0.00 0.00 -1.82 0.00 0.00 70.33 67.94 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 -2.31 0.60 0.00 -2.82 -0.04 -1.26 -5.06 135.00 124.11 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 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 1j5i n PRO 9 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1j5i n SER 10 N -0.80 0.59 -3.26 3.54 3.41 -1.26 -4.88 113.62 110.97 1j5i n SER 10 Ca 0.00 0.00 -0.25 0.00 -0.26 0.00 0.00 58.87 58.36 1j5i n SER 10 Cb 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 1j5i n SER 10 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1j5i n SER 11 N -2.36 3.83 0.08 4.04 7.64 -1.26 -1.79 113.62 123.81 1j5i n SER 11 Ca 0.00 -2.37 0.05 0.00 1.01 0.00 0.00 58.87 57.56 1j5i n SER 11 Cb 0.18 -1.03 0.26 0.00 -1.01 0.00 0.00 64.21 62.62 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 3.98 -0.63 2.65 0.23 0.00 -0.57 -3.72 105.19 107.13 1j5i n GLY 12 Ca 0.41 0.09 -0.16 0.00 0.00 0.00 0.00 46.02 46.35 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 -1.82 3.81 -3.90 0.99 -0.00 -0.26 -4.63 117.00 111.19 1j5i n LEU 13 Ca -0.01 -2.44 -0.25 0.00 -0.00 0.00 0.00 56.01 53.32 1j5i n LEU 13 Cb 0.07 -0.95 -0.17 0.00 -0.00 0.00 0.00 43.42 42.38 1j5i n LEU 13 CO 0.04 0.27 -0.43 -0.55 -0.00 0.00 0.00 177.39 176.72 1j5i s SER 14 N 3.62 1.82 -0.66 1.45 0.15 -1.24 -5.03 113.70 113.80 1j5i s SER 14 Ca 0.31 -0.23 -0.11 0.00 0.70 0.00 0.00 55.95 56.62 1j5i s SER 14 Cb 0.09 -0.70 -0.20 0.00 -1.71 0.00 0.00 66.02 63.50 1j5i s SER 14 CO -0.02 -0.10 1.53 0.47 1.20 0.00 0.00 173.24 176.32 1j5i n ASP 15 N 4.66 -0.58 -3.62 5.45 9.92 -1.26 -0.06 116.55 131.06 1j5i n ASP 15 Ca -0.15 -0.20 -0.20 0.00 -0.53 0.00 0.00 54.79 53.71 1j5i n ASP 15 Cb 0.50 -0.43 0.00 0.00 -0.64 0.00 0.00 41.12 40.55 1j5i n ASP 15 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1j5i n GLY 16 N 3.83 -1.27 3.69 0.44 0.00 -0.90 -4.87 105.19 106.11 1j5i n GLY 16 Ca 0.44 0.56 -0.42 0.00 0.00 0.00 0.00 46.02 46.60 1j5i n GLY 16 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1j5i s THR 17 N -3.03 4.61 -0.31 2.61 -1.32 0.92 -4.51 115.64 114.62 1j5i s THR 17 Ca 0.03 1.90 -0.20 0.00 -1.21 0.00 0.00 61.69 62.22 1j5i s THR 17 Cb -0.02 -4.22 -0.01 0.00 -1.51 0.00 0.00 72.50 66.74 1j5i s THR 17 CO 0.86 0.00 0.60 -0.69 -2.21 0.00 0.00 174.62 173.19 1j5i s VAL 18 N 2.06 4.96 0.23 5.08 1.01 -1.26 0.23 120.40 132.71 1j5i s VAL 18 Ca 0.51 0.76 0.05 0.00 0.00 0.00 0.00 61.98 63.31 1j5i s VAL 18 Cb -0.20 -3.98 -0.02 0.00 0.00 0.00 0.00 36.38 32.18 1j5i s VAL 18 CO 0.19 -0.14 0.19 1.33 0.00 0.00 0.00 175.10 176.68 1j5i n VAL 19 N 5.39 0.00 -5.02 2.92 0.24 -0.41 -4.99 118.33 116.46 1j5i n VAL 19 Ca -0.02 -1.68 -0.32 0.00 -2.04 0.00 0.00 64.34 60.27 1j5i n VAL 19 Cb 0.49 0.84 -0.16 0.00 -1.47 0.00 0.00 33.84 33.54 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 -2.94 3.16 -0.50 7.34 -2.85 -1.26 -1.66 119.74 121.03 1j5i s LYS 20 Ca 0.27 -0.79 -0.15 0.00 -1.00 0.00 0.00 55.97 54.30 1j5i s LYS 20 Cb 0.01 -2.44 0.10 0.00 -2.06 0.00 0.00 37.83 33.44 1j5i s LYS 20 CO 0.19 0.22 0.43 0.08 0.10 0.00 0.00 175.35 176.37 1j5i s VAL 21 N 0.29 5.17 -0.17 1.79 1.01 0.15 -1.58 120.40 127.06 1j5i s VAL 21 Ca -0.14 -1.27 -0.22 0.00 0.00 0.00 0.00 61.98 60.36 1j5i s VAL 21 Cb -0.17 -4.19 -0.03 0.00 0.00 0.00 0.00 36.38 32.00 1j5i s VAL 21 CO 0.07 -0.70 0.67 0.00 0.00 0.00 0.00 175.10 175.14 1j5i s ALA 22 N 1.61 3.51 -0.83 5.51 0.00 -0.67 -0.01 121.76 130.88 1j5i s ALA 22 Ca 0.04 -0.17 0.02 0.00 0.00 0.00 0.00 51.96 51.84 1j5i s ALA 22 Cb -0.27 -3.00 0.29 0.00 0.00 0.00 0.00 23.12 20.14 1j5i s ALA 22 CO 0.05 -0.50 1.16 0.41 0.00 0.00 0.00 175.76 176.88 1j5i n GLY 23 N 3.63 5.20 3.72 0.00 0.00 0.17 -1.04 105.19 116.87 1j5i n GLY 23 Ca -0.01 -2.72 -0.42 0.00 0.00 0.00 0.00 46.02 42.88 1j5i n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j5i s ALA 24 N -2.93 3.38 -0.83 4.61 0.00 -1.22 -0.73 121.76 124.04 1j5i s ALA 24 Ca 0.38 0.84 0.00 0.00 0.00 0.00 0.00 51.96 53.17 1j5i s ALA 24 Cb 0.13 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.84 1j5i s ALA 24 CO 0.00 -0.37 0.00 0.41 0.00 0.00 0.00 175.76 175.80 1j5i n GLY 25 N 2.86 0.97 0.00 0.00 0.00 0.54 -1.91 105.19 107.65 1j5i n GLY 25 Ca 0.07 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.89 0.00 -4.35 0.99 7.94 -0.54 -4.85 117.00 115.30 1j5i n LEU 26 Ca -0.08 0.00 -0.44 0.00 -1.11 0.00 0.00 56.01 54.38 1j5i n LEU 26 Cb 0.30 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.25 1j5i n LEU 26 CO 0.12 0.00 1.49 0.00 -1.11 0.00 0.00 177.39 177.89 1j5i n GLN 27 N 0.00 3.43 -1.73 1.96 1.13 -1.26 -4.83 117.38 116.07 1j5i n GLN 27 Ca 0.00 -3.81 -0.42 0.00 -1.94 0.00 0.00 57.00 50.83 1j5i n GLN 27 Cb 0.00 -3.01 -0.02 0.00 0.11 0.00 0.00 30.24 27.32 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 5.22 2.54 0.00 -1.58 0.00 -1.26 -0.99 120.51 124.44 1j5i n ALA 28 Ca 0.37 0.38 0.00 0.00 0.00 0.00 0.00 53.44 54.20 1j5i n ALA 28 Cb 0.41 -2.47 0.00 0.00 0.00 0.00 0.00 19.45 17.39 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 2.72 2.91 3.67 0.00 0.00 -1.02 -4.93 105.19 108.53 1j5i n GLY 29 Ca 0.11 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.63 0.00 -3.68 2.61 -1.04 -0.16 -4.92 114.28 106.46 1j5i n THR 30 Ca 0.00 -1.37 -0.15 0.00 -2.04 0.00 0.00 64.05 60.49 1j5i n THR 30 Cb 0.00 -1.05 -0.08 0.00 -1.82 0.00 0.00 70.33 67.38 1j5i n THR 30 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1j5i s ALA 31 N -3.33 -1.20 0.35 2.41 0.00 -1.26 -2.07 121.76 116.65 1j5i s ALA 31 Ca 0.64 0.97 -0.04 0.00 0.00 0.00 0.00 51.96 53.53 1j5i s ALA 31 Cb -0.03 -0.26 0.01 0.00 0.00 0.00 0.00 23.12 22.84 1j5i s ALA 31 CO 0.43 -0.28 0.51 0.71 0.00 0.00 0.00 175.76 177.14 1j5i s TYR 32 N -0.73 0.95 -0.27 0.00 2.02 0.24 -4.74 117.35 114.82 1j5i s TYR 32 Ca -0.08 -1.23 -0.08 0.00 -0.37 0.00 0.00 57.07 55.31 1j5i s TYR 32 Cb -0.03 0.03 -0.02 0.00 -0.40 0.00 0.00 41.96 41.54 1j5i s TYR 32 CO 0.05 -1.19 0.09 0.34 -1.57 0.00 0.00 175.55 173.27 1j5i s ASP 33 N -3.22 5.27 0.34 2.29 3.68 -1.19 -0.24 116.67 123.59 1j5i s ASP 33 Ca 0.29 -0.32 -0.23 0.00 2.13 0.00 0.00 52.55 54.42 1j5i s ASP 33 Cb -0.01 -1.95 -0.10 0.00 -1.45 0.00 0.00 42.92 39.41 1j5i s ASP 33 CO 0.19 -0.09 0.90 -0.69 0.13 0.00 0.00 175.17 175.62 1j5i s VAL 34 N 1.61 4.35 0.00 1.11 1.01 0.15 -1.40 120.40 127.22 1j5i s VAL 34 Ca 0.06 1.58 0.00 0.00 0.00 0.00 0.00 61.98 63.62 1j5i s VAL 34 Cb -0.16 -3.83 0.00 0.00 0.00 0.00 0.00 36.38 32.39 1j5i s VAL 34 CO 0.04 -0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.74 1j5i n GLY 35 N 0.14 0.79 3.40 4.51 0.00 0.33 0.88 105.19 115.24 1j5i n GLY 35 Ca 0.03 -0.72 -0.45 0.00 0.00 0.00 0.00 46.02 44.88 1j5i n GLY 35 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1j5i s GLN 36 N -2.00 3.66 0.13 1.61 -2.07 -1.26 -0.32 119.66 119.42 1j5i s GLN 36 Ca 0.00 -2.17 0.04 0.00 -1.82 0.00 0.00 55.36 51.41 1j5i s GLN 36 Cb 0.00 -4.72 -0.04 0.00 -1.09 0.00 0.00 33.01 27.17 1j5i s GLN 36 CO 0.00 -1.55 0.11 0.00 -1.32 0.00 0.00 175.29 172.52 1j5i s ALA 38 N -1.59 -2.43 -0.35 0.00 0.00 -0.72 -1.56 121.76 115.11 1j5i s ALA 38 Ca 0.30 0.87 -0.24 0.00 0.00 0.00 0.00 51.96 52.89 1j5i s ALA 38 Cb -0.11 0.28 0.01 0.00 0.00 0.00 0.00 23.12 23.30 1j5i s ALA 38 CO 0.23 -1.06 0.80 1.67 0.00 0.00 0.00 175.76 177.40 1j5i s TRP 39 N -2.15 3.13 -0.24 0.00 -2.14 -1.26 0.24 118.94 116.52 1j5i s TRP 39 Ca 0.15 0.66 -0.12 0.00 2.66 0.00 0.00 56.10 59.45 1j5i s TRP 39 Cb 0.07 -3.38 -0.11 0.00 -3.10 0.00 0.00 33.47 26.95 1j5i s TRP 39 CO -0.06 -0.70 -0.31 1.55 -2.66 0.00 0.00 176.95 174.78 1j5i n VAL 40 N 5.74 1.33 -1.99 -0.66 3.14 -0.52 -4.61 118.33 120.76 1j5i n VAL 40 Ca 0.04 -0.34 -0.19 0.00 -2.96 0.00 0.00 64.34 60.89 1j5i n VAL 40 Cb 0.48 -1.82 0.12 0.00 -1.06 0.00 0.00 33.84 31.56 1j5i n VAL 40 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 1j5i n ASP 41 N -4.07 0.42 -4.52 6.55 9.92 -1.20 -4.84 116.55 118.81 1j5i n ASP 41 Ca -0.48 -1.52 -0.24 0.00 -0.53 0.00 0.00 54.79 52.02 1j5i n ASP 41 Cb 0.84 -0.60 -0.14 0.00 -0.64 0.00 0.00 41.12 40.58 1j5i n ASP 41 CO 0.00 0.00 0.00 0.41 0.13 0.00 0.00 177.20 177.74 1j5i n THR 42 N -2.92 -0.01 -1.34 -3.53 -1.04 -1.26 -1.04 114.28 103.13 1j5i n THR 42 Ca 0.12 -0.45 -0.11 0.00 -2.04 0.00 0.00 64.05 61.56 1j5i n THR 42 Cb 0.40 -1.06 -0.05 0.00 -1.82 0.00 0.00 70.33 67.81 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 6.14 1.00 3.54 3.41 0.00 -1.26 -4.87 105.19 113.15 1j5i n GLY 43 Ca 0.57 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.17 1j5i n GLY 43 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1j5i s VAL 44 N -1.93 4.88 -0.61 1.61 1.01 -0.21 -4.99 120.40 120.16 1j5i s VAL 44 Ca 0.00 0.28 -0.28 0.00 0.00 0.00 0.00 61.98 61.98 1j5i s VAL 44 Cb 0.00 -4.13 0.02 0.00 0.00 0.00 0.00 36.38 32.27 1j5i s VAL 44 CO 0.00 -0.46 1.37 -0.76 0.00 0.00 0.00 175.10 175.26 1j5i s LEU 45 N 2.72 3.35 -0.00 3.92 1.43 -1.26 -1.45 118.68 127.38 1j5i s LEU 45 Ca 0.22 0.08 0.05 0.00 -1.03 0.00 0.00 54.13 53.46 1j5i s LEU 45 Cb -0.14 -2.92 -0.03 0.00 0.03 0.00 0.00 46.19 43.12 1j5i s LEU 45 CO 0.17 -1.74 -0.16 0.00 0.23 0.00 0.00 176.35 174.85 1j5i s ALA 46 N 5.98 2.64 0.05 4.21 0.00 0.14 -3.65 121.76 131.12 1j5i s ALA 46 Ca 0.47 -1.08 0.03 0.00 0.00 0.00 0.00 51.96 51.38 1j5i s ALA 46 Cb -0.10 -0.86 -0.04 0.00 0.00 0.00 0.00 23.12 22.13 1j5i s ALA 46 CO 0.22 0.57 0.01 0.00 0.00 0.00 0.00 175.76 176.56 1j5i s ASN 48 N -1.98 3.91 0.29 0.00 0.02 -1.18 -0.55 114.94 115.46 1j5i s ASN 48 Ca 0.23 0.63 0.26 0.00 -1.02 0.00 0.00 52.86 52.96 1j5i s ASN 48 Cb -0.12 -0.99 0.90 0.00 0.02 0.00 0.00 41.25 41.06 1j5i s ASN 48 CO 0.15 -2.27 1.76 1.55 0.02 0.00 0.00 177.10 178.32 1j5i h PRO 49 N -1.31 0.00 -0.65 -0.60 0.13 -1.89 -2.51 132.00 125.17 1j5i h PRO 49 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1j5i h PRO 49 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 1j5i h PRO 49 CO 0.56 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.33 1j5i n ALA 50 N -1.85 3.16 0.36 -0.56 0.00 -1.26 -4.17 120.51 116.19 1j5i n ALA 50 Ca 0.03 -1.64 0.05 0.00 0.00 0.00 0.00 53.44 51.89 1j5i n ALA 50 Cb 0.35 -1.03 0.19 0.00 0.00 0.00 0.00 19.45 18.96 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 1.11 2.82 -4.19 0.00 2.03 -0.94 -4.29 116.55 113.08 1j5i n ASP 51 Ca 0.26 -2.26 -0.38 0.00 0.52 0.00 0.00 54.79 52.92 1j5i n ASP 51 Cb 0.93 -0.44 -0.10 0.00 -0.72 0.00 0.00 41.12 40.78 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 -1.72 3.45 -0.46 -0.67 0.40 -1.20 -3.23 117.98 114.55 1j5i s PHE 52 Ca 0.27 -1.97 0.05 0.00 -0.60 0.00 0.00 56.93 54.69 1j5i s PHE 52 Cb 0.18 -3.13 0.18 0.00 0.51 0.00 0.00 43.02 40.77 1j5i s PHE 52 CO 0.12 -0.93 0.52 0.45 0.70 0.00 0.00 175.22 176.09 1j5i n SER 53 N 4.78 -1.74 -4.68 1.36 2.88 0.25 -4.93 113.62 111.54 1j5i n SER 53 Ca -0.07 -2.63 -0.46 0.00 -1.33 0.00 0.00 58.87 54.37 1j5i n SER 53 Cb 0.42 0.45 -0.04 0.00 -0.75 0.00 0.00 64.21 64.29 1j5i n SER 53 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1j5i n SER 54 N 2.79 3.31 -3.70 -3.46 3.41 -1.26 0.29 113.62 115.00 1j5i n SER 54 Ca 0.24 1.04 -0.09 0.00 -0.26 0.00 0.00 58.87 59.80 1j5i n SER 54 Cb 0.52 -1.42 -0.03 0.00 -0.26 0.00 0.00 64.21 63.01 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 2.10 0.00 0.19 -3.33 0.11 0.66 -4.87 120.40 115.26 1j5i s VAL 55 Ca 0.83 -1.28 -0.01 0.00 -2.93 0.00 0.00 61.98 58.60 1j5i s VAL 55 Cb -0.66 -2.32 -0.04 0.00 -1.53 0.00 0.00 36.38 31.83 1j5i s VAL 55 CO 0.42 0.00 0.10 0.28 -3.33 0.00 0.00 175.10 172.57 1j5i s THR 56 N -3.60 0.11 -0.18 5.04 -1.32 -1.26 -0.59 115.64 113.84 1j5i s THR 56 Ca 0.20 -1.97 -0.06 0.00 -1.21 0.00 0.00 61.69 58.64 1j5i s THR 56 Cb -0.03 -2.37 -0.04 0.00 -1.51 0.00 0.00 72.50 68.55 1j5i s THR 56 CO 0.10 -0.15 0.03 0.00 -2.21 0.00 0.00 174.62 172.40 1j5i s ALA 57 N -4.07 3.26 0.68 11.08 0.00 -0.88 -4.34 121.76 127.50 1j5i s ALA 57 Ca 0.34 -0.79 -0.15 0.00 0.00 0.00 0.00 51.96 51.36 1j5i s ALA 57 Cb 0.07 -1.81 0.01 0.00 0.00 0.00 0.00 23.12 21.39 1j5i s ALA 57 CO 0.09 0.15 1.15 -0.51 0.00 0.00 0.00 175.76 176.65 1j5i s ASP 58 N 0.43 4.73 0.56 0.00 1.01 0.03 -2.43 116.67 121.00 1j5i s ASP 58 Ca 0.01 2.17 0.48 0.00 0.71 0.00 0.00 52.55 55.92 1j5i s ASP 58 Cb -0.13 -2.57 1.67 0.00 1.01 0.00 0.00 42.92 42.90 1j5i s ASP 58 CO 0.01 -1.89 1.56 0.00 0.21 0.00 0.00 175.17 175.05 1j5i h ALA 59 N -0.05 3.79 -0.37 5.23 0.00 -1.93 3.46 119.26 129.40 1j5i h ALA 59 Ca -0.47 -0.07 -0.21 0.00 0.00 0.00 0.00 54.91 54.16 1j5i h ALA 59 Cb 1.27 0.14 -0.11 0.00 0.00 0.00 0.00 17.79 19.09 1j5i h ALA 59 CO 0.52 -2.37 0.26 -1.71 0.00 0.00 0.00 179.25 175.95 1j5i n ASN 60 N -3.88 4.10 -4.40 0.00 5.15 -1.26 -4.76 115.26 110.21 1j5i n ASN 60 Ca 0.42 -2.68 -0.38 0.00 -0.60 0.00 0.00 54.58 51.34 1j5i n ASN 60 Cb 1.97 -0.75 -0.08 0.00 -0.53 0.00 0.00 39.78 40.38 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 0.10 -0.30 3.12 8.20 0.00 1.15 -4.28 105.19 113.17 1j5i n GLY 61 Ca 0.22 0.10 -0.34 0.00 0.00 0.00 0.00 46.02 46.00 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 -3.55 4.92 -0.95 1.61 0.01 -1.06 0.20 113.70 114.89 1j5i s SER 62 Ca 0.56 -1.63 -0.05 0.00 1.31 0.00 0.00 55.95 56.14 1j5i s SER 62 Cb -0.33 -1.71 0.24 0.00 0.21 0.00 0.00 66.02 64.43 1j5i s SER 62 CO 0.99 -0.35 0.87 0.00 0.41 0.00 0.00 173.24 175.17 1j5i s ALA 63 N 1.15 4.36 -0.98 1.44 0.00 0.10 -0.79 121.76 127.04 1j5i s ALA 63 Ca 0.00 -3.76 -0.17 0.00 0.00 0.00 0.00 51.96 48.04 1j5i s ALA 63 Cb -0.20 -3.13 0.16 0.00 0.00 0.00 0.00 23.12 19.94 1j5i s ALA 63 CO -0.03 -2.18 1.13 -1.54 0.00 0.00 0.00 175.76 173.15 1j5i s SER 64 N 0.62 6.76 -0.20 0.00 1.04 -1.23 0.41 113.70 121.11 1j5i s SER 64 Ca 0.27 -2.39 -0.05 0.00 0.48 0.00 0.00 55.95 54.26 1j5i s SER 64 Cb -0.09 -2.36 -0.03 0.00 0.10 0.00 0.00 66.02 63.64 1j5i s SER 64 CO -0.10 -0.90 0.00 0.28 0.98 0.00 0.00 173.24 173.50 1j5i s THR 65 N 1.95 4.02 -0.02 2.02 -1.32 0.98 -4.85 115.64 118.42 1j5i s THR 65 Ca 0.32 -0.29 -0.21 0.00 -1.21 0.00 0.00 61.69 60.30 1j5i s THR 65 Cb -0.05 -2.81 -0.05 0.00 -1.51 0.00 0.00 72.50 68.07 1j5i s THR 65 CO -0.08 0.43 0.60 -0.94 -2.21 0.00 0.00 174.62 172.43 1j5i s SER 66 N 0.91 6.96 0.23 8.08 1.04 -1.26 0.31 113.70 129.98 1j5i s SER 66 Ca 0.01 1.15 -0.15 0.00 0.48 0.00 0.00 55.95 57.44 1j5i s SER 66 Cb -0.14 -2.37 0.01 0.00 0.10 0.00 0.00 66.02 63.62 1j5i s SER 66 CO 0.02 0.07 0.52 -0.22 0.98 0.00 0.00 173.24 174.61 1j5i s LEU 67 N -0.03 0.20 -0.07 2.42 1.98 -0.66 -4.95 118.68 117.57 1j5i s LEU 67 Ca 0.32 -0.76 -0.02 0.00 -2.89 0.00 0.00 54.13 50.78 1j5i s LEU 67 Cb -0.18 1.99 -0.03 0.00 0.66 0.00 0.00 46.19 48.62 1j5i s LEU 67 CO 0.17 -1.14 0.01 -0.89 -1.89 0.00 0.00 176.35 172.61 1j5i s THR 68 N -3.96 4.37 -1.22 3.68 2.01 -1.26 -1.29 115.64 117.97 1j5i s THR 68 Ca 0.17 -0.28 -0.14 0.00 0.31 0.00 0.00 61.69 61.75 1j5i s THR 68 Cb -0.01 -2.86 0.16 0.00 0.01 0.00 0.00 72.50 69.80 1j5i s THR 68 CO 0.05 0.56 1.47 -0.69 -0.69 0.00 0.00 174.62 175.32 1j5i s VAL 69 N -0.93 4.95 -1.36 3.82 1.01 0.63 -4.79 120.40 123.73 1j5i s VAL 69 Ca 0.15 -2.58 -0.07 0.00 0.00 0.00 0.00 61.98 59.47 1j5i s VAL 69 Cb -0.11 -4.94 0.10 0.00 0.00 0.00 0.00 36.38 31.43 1j5i s VAL 69 CO 0.04 -1.66 2.31 0.54 0.00 0.00 0.00 175.10 176.33 1j5i n ARG 70 N 5.90 4.13 -0.49 2.72 5.12 -1.26 -2.12 116.66 130.66 1j5i n ARG 70 Ca 0.38 -3.28 0.43 0.00 -1.93 0.00 0.00 57.85 53.45 1j5i n ARG 70 Cb 0.43 -2.77 0.76 0.00 -1.16 0.00 0.00 32.46 29.73 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 5.04 0.00 -5.41 5.56 2.43 -1.85 -3.35 114.38 116.80 1j5i h ARG 71 Ca 0.63 0.00 -0.60 0.00 -0.81 0.00 0.00 59.98 59.21 1j5i h ARG 71 Cb 0.41 0.00 -0.11 0.00 -0.42 0.00 0.00 29.97 29.85 1j5i h ARG 71 CO 1.58 0.00 -0.33 -1.54 -1.51 0.00 0.00 179.97 178.17 1j5i s SER 72 N -4.38 6.38 0.00 -3.80 1.04 -1.26 0.17 113.70 111.85 1j5i s SER 72 Ca -0.05 0.44 0.00 0.00 0.48 0.00 0.00 55.95 56.82 1j5i s SER 72 Cb 0.24 -2.18 0.00 0.00 0.10 0.00 0.00 66.02 64.18 1j5i s SER 72 CO 0.81 0.05 0.00 0.49 0.98 0.00 0.00 173.24 175.58 1j5i n PHE 73 N 3.89 0.00 -2.89 5.02 3.72 0.84 -4.87 117.46 123.17 1j5i n PHE 73 Ca -0.12 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.86 1j5i n PHE 73 Cb 0.52 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 39.01 1j5i n PHE 73 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 1j5i s GLU 74 N -2.00 3.88 0.75 -1.08 2.12 -1.26 -0.41 118.70 120.70 1j5i s GLU 74 Ca 0.00 0.55 -0.03 0.00 0.36 0.00 0.00 54.97 55.85 1j5i s GLU 74 Cb 0.00 -3.77 0.14 0.00 0.26 0.00 0.00 34.13 30.76 1j5i s GLU 74 CO 0.00 -0.82 1.04 0.20 -0.54 0.00 0.00 175.26 175.14 1j5i s GLY 75 N 1.75 1.76 -0.01 -1.50 0.00 -0.71 -3.07 107.32 105.54 1j5i s GLY 75 Ca 0.35 -1.65 -0.11 0.00 0.00 0.00 0.00 44.72 43.31 1j5i s GLY 75 CO 0.16 -1.05 0.22 -1.36 0.00 0.00 0.00 173.10 171.06 1j5i s PHE 76 N -3.25 -0.07 0.37 1.90 0.40 0.28 -0.44 117.98 117.18 1j5i s PHE 76 Ca 0.67 0.08 -0.05 0.00 -0.60 0.00 0.00 56.93 57.03 1j5i s PHE 76 Cb -0.05 0.02 -0.05 0.00 0.51 0.00 0.00 43.02 43.45 1j5i s PHE 76 CO 0.46 -0.32 0.65 -0.51 0.70 0.00 0.00 175.22 176.19 1j5i s LEU 77 N -1.29 3.89 0.09 -0.37 1.43 -0.50 -1.04 118.68 120.89 1j5i s LEU 77 Ca -0.14 0.78 0.19 0.00 -1.03 0.00 0.00 54.13 53.93 1j5i s LEU 77 Cb -0.06 -3.65 -0.11 0.00 0.03 0.00 0.00 46.19 42.40 1j5i s LEU 77 CO 0.03 -0.35 0.86 2.22 0.23 0.00 0.00 176.35 179.33 1j5i n PHE 78 N -1.54 0.92 0.01 0.29 -1.74 -1.24 -4.13 117.46 110.03 1j5i n PHE 78 Ca -0.01 0.29 -0.12 0.00 -0.56 0.00 0.00 57.45 57.05 1j5i n PHE 78 Cb 0.55 -1.03 -0.08 0.00 1.52 0.00 0.00 39.48 40.44 1j5i n PHE 78 CO 0.00 0.00 0.00 0.22 -0.56 0.00 0.00 176.76 176.42 1j5i h ASP 79 N 0.00 0.03 0.00 5.98 -0.00 -1.95 -3.46 116.42 117.02 1j5i h ASP 79 Ca -0.12 -0.18 0.00 0.00 -0.00 0.00 0.00 57.03 56.74 1j5i h ASP 79 Cb 1.40 -0.01 0.00 0.00 -0.00 0.00 0.00 39.33 40.72 1j5i h ASP 79 CO 0.03 0.20 0.00 0.61 -0.00 0.00 0.00 179.24 180.08 1j5i n GLY 80 N -0.62 0.32 3.79 -0.78 0.00 -1.26 -5.15 105.19 101.50 1j5i n GLY 80 Ca -0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.66 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 1.95 0.21 2.61 2.01 -1.26 -4.89 115.64 116.27 1j5i s THR 81 Ca 0.00 0.00 0.06 0.00 0.31 0.00 0.00 61.69 62.06 1j5i s THR 81 Cb 0.00 -2.78 -0.04 0.00 0.01 0.00 0.00 72.50 69.70 1j5i s THR 81 CO 0.00 0.00 0.16 -0.13 -0.69 0.00 0.00 174.62 173.96 1j5i s ARG 82 N -5.42 2.88 0.00 4.92 0.52 -1.26 -1.41 118.95 119.18 1j5i s ARG 82 Ca 0.66 -0.98 0.00 0.00 -0.52 0.00 0.00 55.73 54.89 1j5i s ARG 82 Cb -0.12 -2.58 0.00 0.00 0.52 0.00 0.00 34.95 32.77 1j5i s ARG 82 CO 0.53 0.44 0.00 1.87 0.02 0.00 0.00 175.30 178.16 1j5i n TRP 83 N -0.76 0.00 0.00 -0.53 -0.00 -0.83 -4.59 117.44 110.73 1j5i n TRP 83 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.42 1j5i n TRP 83 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.87 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 3.33 1.06 5.00 5.87 0.00 0.42 -4.73 105.19 116.14 1j5i n GLY 84 Ca 0.00 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.14 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 -1.74 114.28 112.84 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 -3.47 12.58 0.31 0.45 -4.89 118.33 123.30 1j5i n VAL 86 Ca 0.00 0.00 -0.25 0.00 -0.01 0.00 0.00 64.34 64.08 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 -0.62 -1.32 0.00 0.00 176.83 174.89 1j5i s ASP 87 N -2.58 2.72 -0.78 4.52 2.15 -1.26 -0.11 116.67 121.32 1j5i s ASP 87 Ca 0.00 -1.33 -0.05 0.00 0.43 0.00 0.00 52.55 51.60 1j5i s ASP 87 Cb 0.00 -0.04 0.01 0.00 -0.30 0.00 0.00 42.92 42.59 1j5i s ASP 87 CO 0.00 -0.39 2.81 0.00 -0.17 0.00 0.00 175.17 177.42 1j5i n THR 89 N 1.67 0.01 -0.09 0.00 5.66 -1.26 -4.42 114.28 115.85 1j5i n THR 89 Ca 0.55 -0.04 -0.14 0.00 -3.05 0.00 0.00 64.05 61.38 1j5i n THR 89 Cb 0.48 0.78 -0.07 0.00 -1.55 0.00 0.00 70.33 69.97 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 0.57 -3.15 1.09 2.02 -1.99 -3.47 112.91 107.98 1j5i h THR 90 Ca 0.00 -1.68 -0.59 0.00 0.77 0.00 0.00 66.41 64.92 1j5i h THR 90 Cb 0.54 1.33 -0.05 0.00 -1.74 0.00 0.00 68.15 68.23 1j5i h THR 90 CO 0.00 0.19 -0.11 0.00 0.37 0.00 0.00 175.52 175.97 1j5i s ALA 91 N -2.50 3.62 -0.26 6.16 0.00 -1.26 -5.01 121.76 122.50 1j5i s ALA 91 Ca -0.21 -0.09 -0.29 0.00 0.00 0.00 0.00 51.96 51.37 1j5i s ALA 91 Cb 0.04 -2.54 -0.02 0.00 0.00 0.00 0.00 23.12 20.60 1j5i s ALA 91 CO 0.42 0.39 1.57 0.00 0.00 0.00 0.00 175.76 178.14 1j5i s ALA 92 N -0.89 3.23 -0.13 0.00 0.00 -1.26 -4.89 121.76 117.82 1j5i s ALA 92 Ca 0.27 0.35 -0.21 0.00 0.00 0.00 0.00 51.96 52.37 1j5i s ALA 92 Cb -0.18 -3.86 -0.03 0.00 0.00 0.00 0.00 23.12 19.04 1j5i s ALA 92 CO 0.16 -2.02 0.59 0.00 0.00 0.00 0.00 175.76 174.49 1j5i s GLN 94 N 1.14 3.71 -0.26 0.00 -2.07 -0.60 -0.98 119.66 120.60 1j5i s GLN 94 Ca 0.30 -0.46 -0.20 0.00 -1.82 0.00 0.00 55.36 53.19 1j5i s GLN 94 Cb -0.16 -3.29 -0.02 0.00 -1.09 0.00 0.00 33.01 28.45 1j5i s GLN 94 CO 0.13 -0.09 0.61 0.08 -1.32 0.00 0.00 175.29 174.70 1j5i s VAL 95 N 1.35 5.00 0.10 3.63 1.01 0.19 -0.59 120.40 131.08 1j5i s VAL 95 Ca 0.05 1.08 -0.24 0.00 0.00 0.00 0.00 61.98 62.87 1j5i s VAL 95 Cb -0.15 -3.92 0.08 0.00 0.00 0.00 0.00 36.38 32.40 1j5i s VAL 95 CO 0.03 0.03 1.11 0.61 0.00 0.00 0.00 175.10 176.89 1j5i n GLY 96 N 4.21 0.46 3.75 4.51 0.00 0.56 -1.70 105.19 116.98 1j5i n GLY 96 Ca -0.01 -1.11 -0.35 0.00 0.00 0.00 0.00 46.02 44.55 1j5i n GLY 96 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1j5i s LEU 97 N 0.00 3.84 0.19 0.99 -0.00 -1.26 0.12 118.68 122.56 1j5i s LEU 97 Ca 0.25 0.24 0.06 0.00 -0.00 0.00 0.00 54.13 54.68 1j5i s LEU 97 Cb -0.02 -1.93 -0.04 0.00 -0.00 0.00 0.00 46.19 44.20 1j5i s LEU 97 CO 0.03 0.38 0.12 -0.94 -0.00 0.00 0.00 176.35 175.94 1j5i s SER 98 N -1.00 5.37 0.83 1.48 1.04 -0.49 -4.49 113.70 116.44 1j5i s SER 98 Ca 0.15 -0.21 -0.11 0.00 0.48 0.00 0.00 55.95 56.25 1j5i s SER 98 Cb -0.12 -1.35 0.09 0.00 0.10 0.00 0.00 66.02 64.75 1j5i s SER 98 CO 0.04 0.05 1.09 -1.81 0.98 0.00 0.00 173.24 173.59 1j5i s ASP 99 N -3.25 3.95 0.00 7.02 -0.00 0.33 -3.20 116.67 121.52 1j5i s ASP 99 Ca 0.31 1.73 0.28 0.00 -0.00 0.00 0.00 52.55 54.87 1j5i s ASP 99 Cb -0.09 -2.40 1.13 0.00 -0.00 0.00 0.00 42.92 41.56 1j5i s ASP 99 CO 0.23 -2.37 1.79 0.00 -0.00 0.00 0.00 175.17 174.81 1j5i n ALA 100 N -3.73 2.63 0.08 5.23 0.00 -1.26 -3.63 120.51 119.83 1j5i n ALA 100 Ca 0.08 -0.41 -0.19 0.00 0.00 0.00 0.00 53.44 52.93 1j5i n ALA 100 Cb 0.54 -1.21 -0.14 0.00 0.00 0.00 0.00 19.45 18.63 1j5i n ALA 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j5i h ALA 101 N 4.24 0.20 0.00 0.00 0.00 -1.99 -3.48 119.26 118.23 1j5i h ALA 101 Ca 0.00 -1.08 0.00 0.00 0.00 0.00 0.00 54.91 53.83 1j5i h ALA 101 Cb 0.44 0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1j5i h ALA 101 CO 0.00 1.06 0.00 0.41 0.00 0.00 0.00 179.25 180.72 1j5i n GLY 102 N 1.71 0.51 3.21 0.00 0.00 -1.24 -5.16 105.19 104.23 1j5i n GLY 102 Ca -0.18 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.63 -0.24 -0.39 1.61 0.01 -1.26 -5.02 114.94 109.02 1j5i s ASN 103 Ca 0.00 0.32 0.10 0.00 -0.71 0.00 0.00 52.86 52.58 1j5i s ASN 103 Cb 0.00 0.46 0.32 0.00 0.41 0.00 0.00 41.25 42.44 1j5i s ASN 103 CO 0.00 -0.28 0.67 0.61 -1.51 0.00 0.00 177.10 176.59 1j5i n GLY 104 N 2.05 3.46 0.19 0.66 0.00 -1.26 0.12 105.19 110.41 1j5i n GLY 104 Ca -0.18 -1.71 0.07 0.00 0.00 0.00 0.00 46.02 44.20 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 3.34 0.00 -6.28 1.61 0.13 -1.99 -3.44 132.00 125.37 1j5i h PRO 105 Ca 0.09 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.66 1j5i h PRO 105 Cb 0.92 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.01 1j5i h PRO 105 CO 0.50 0.34 -0.03 -1.21 -0.23 0.00 0.00 178.00 177.37 1j5i s GLU 106 N -3.37 4.17 0.00 0.86 8.01 -1.26 -5.02 118.70 122.09 1j5i s GLU 106 Ca 0.02 0.71 0.00 0.00 0.01 0.00 0.00 54.97 55.71 1j5i s GLU 106 Cb 0.09 -3.16 0.00 0.00 -4.31 0.00 0.00 34.13 26.75 1j5i s GLU 106 CO 0.69 0.59 0.00 0.41 0.01 0.00 0.00 175.26 176.96 1j5i n GLY 107 N 1.48 4.04 3.75 -1.39 0.00 -1.26 -4.18 105.19 107.63 1j5i n GLY 107 Ca -0.09 -0.74 -0.34 0.00 0.00 0.00 0.00 46.02 44.85 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 -1.84 4.60 -0.77 1.61 0.11 -0.69 -4.88 120.40 118.54 1j5i s VAL 108 Ca 0.00 -0.36 -0.26 0.00 -2.93 0.00 0.00 61.98 58.43 1j5i s VAL 108 Cb 0.00 -3.05 0.02 0.00 -1.53 0.00 0.00 36.38 31.83 1j5i s VAL 108 CO 0.00 0.43 1.41 0.00 -3.33 0.00 0.00 175.10 173.61 1j5i s ALA 109 N -1.09 2.63 0.05 1.54 0.00 -1.26 0.53 121.76 124.17 1j5i s ALA 109 Ca 0.19 -1.42 -0.14 0.00 0.00 0.00 0.00 51.96 50.60 1j5i s ALA 109 Cb -0.12 -4.32 -0.06 0.00 0.00 0.00 0.00 23.12 18.62 1j5i s ALA 109 CO 0.10 -3.47 0.44 0.42 0.00 0.00 0.00 175.76 173.25 1j5i s ILE 110 N 6.21 5.00 0.00 0.00 -1.09 -0.15 -4.68 121.20 126.49 1j5i s ILE 110 Ca 0.42 0.75 0.00 0.00 -2.23 0.00 0.00 60.65 59.59 1j5i s ILE 110 Cb -0.07 -3.71 0.00 0.00 -1.58 0.00 0.00 42.46 37.10 1j5i s ILE 110 CO 0.11 0.43 0.00 -1.20 -1.23 0.00 0.00 174.94 173.06 1j5i n SER 111 N 1.36 0.00 -3.74 3.58 7.64 -0.74 -3.89 113.62 117.84 1j5i n SER 111 Ca -0.10 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.65 1j5i n SER 111 Cb 0.52 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.60 1j5i n SER 111 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 1j5i s PHE 112 N 0.00 -0.34 -0.67 1.43 5.36 -1.16 -1.10 117.98 121.50 1j5i s PHE 112 Ca 0.00 0.81 0.00 0.00 -0.96 0.00 0.00 56.93 56.78 1j5i s PHE 112 Cb 0.00 0.08 0.00 0.00 -0.34 0.00 0.00 43.02 42.76 1j5i s PHE 112 CO 0.00 -0.22 0.17 -1.71 -1.46 0.00 0.00 175.22 172.00