#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1o5p s ALA 2 N 0.00 3.21 0.88 0.00 0.00 -1.26 -4.96 121.76 119.62 1o5p s ALA 2 Ca 0.00 -2.26 -0.11 0.00 0.00 0.00 0.00 51.96 49.59 1o5p s ALA 2 Cb 0.00 0.07 0.12 0.00 0.00 0.00 0.00 23.12 23.31 1o5p s ALA 2 CO 0.00 -0.11 1.17 -2.30 0.00 0.00 0.00 175.76 174.52 1o5p n PRO 3 N -0.99 -0.22 -1.88 0.00 -0.02 -0.45 -4.15 135.00 127.29 1o5p n PRO 3 Ca -0.04 0.01 0.00 0.00 -2.02 0.00 0.00 63.50 61.45 1o5p n PRO 3 Cb 0.66 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 1o5p n PRO 3 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 1o5p n THR 4 N -3.89 0.00 -3.64 3.45 5.66 0.23 -4.85 114.28 111.23 1o5p n THR 4 Ca 0.13 0.00 -0.05 0.00 -3.05 0.00 0.00 64.05 61.07 1o5p n THR 4 Cb 0.51 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 69.23 1o5p n THR 4 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1o5p s ALA 5 N -1.00 -2.14 -0.47 1.79 0.00 -1.25 -1.22 121.76 117.46 1o5p s ALA 5 Ca 0.00 2.09 -0.14 0.00 0.00 0.00 0.00 51.96 53.91 1o5p s ALA 5 Cb 0.00 -1.60 0.08 0.00 0.00 0.00 0.00 23.12 21.60 1o5p s ALA 5 CO 0.00 -0.30 0.38 0.95 0.00 0.00 0.00 175.76 176.79 1o5p s THR 6 N 0.93 5.05 -0.19 0.00 -4.23 0.19 -4.77 115.64 112.62 1o5p s THR 6 Ca -0.04 -1.18 0.01 0.00 -1.18 0.00 0.00 61.69 59.29 1o5p s THR 6 Cb -0.04 -4.06 0.02 0.00 1.34 0.00 0.00 72.50 69.76 1o5p s THR 6 CO -0.12 -0.60 -0.18 -0.69 -0.54 0.00 0.00 174.62 172.48 1o5p s VAL 7 N 1.60 2.17 -0.16 2.29 1.01 -1.24 0.13 120.40 126.20 1o5p s VAL 7 Ca 0.04 -0.95 -0.30 0.00 0.00 0.00 0.00 61.98 60.76 1o5p s VAL 7 Cb -0.25 -1.94 0.13 0.00 0.00 0.00 0.00 36.38 34.32 1o5p s VAL 7 CO 0.05 0.49 1.00 -0.89 0.00 0.00 0.00 175.10 175.75 1o5p s THR 8 N 1.29 0.00 0.45 3.92 2.01 -0.57 -4.45 115.64 118.29 1o5p s THR 8 Ca 0.04 0.00 -0.21 0.00 0.31 0.00 0.00 61.69 61.83 1o5p s THR 8 Cb -0.14 -1.00 -0.10 0.00 0.01 0.00 0.00 72.50 71.27 1o5p s THR 8 CO -0.12 0.00 0.98 -2.16 -0.69 0.00 0.00 174.62 172.63 1o5p s PRO 9 N -1.10 4.11 0.08 4.92 0.05 -1.26 -1.04 135.00 140.75 1o5p s PRO 9 Ca -0.02 1.19 0.19 0.00 0.05 0.00 0.00 61.00 62.42 1o5p s PRO 9 Cb -0.00 -2.16 -0.13 0.00 0.05 0.00 0.00 34.50 32.26 1o5p s PRO 9 CO 0.02 -0.14 0.80 -1.13 0.05 0.00 0.00 177.00 176.59 1o5p n SER 10 N -0.73 0.69 -4.26 6.66 3.41 -1.26 -4.77 113.62 113.36 1o5p n SER 10 Ca 0.08 0.29 -0.15 0.00 -0.26 0.00 0.00 58.87 58.83 1o5p n SER 10 Cb 0.54 0.55 -0.10 0.00 -0.26 0.00 0.00 64.21 64.94 1o5p n SER 10 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1o5p s SER 11 N -5.46 1.75 -0.20 4.04 1.04 -1.26 0.50 113.70 114.11 1o5p s SER 11 Ca -0.03 -1.06 -0.01 0.00 0.48 0.00 0.00 55.95 55.33 1o5p s SER 11 Cb 0.09 0.00 0.00 0.00 0.10 0.00 0.00 66.02 66.22 1o5p s SER 11 CO 0.82 -0.38 0.13 0.61 0.98 0.00 0.00 173.24 175.40 1o5p n GLY 12 N -0.23 0.64 0.13 7.32 0.00 -1.15 -4.90 105.19 107.00 1o5p n GLY 12 Ca -0.09 -0.60 -0.22 0.00 0.00 0.00 0.00 46.02 45.11 1o5p n GLY 12 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1o5p n LEU 13 N -0.98 2.42 -0.94 0.99 4.77 -1.26 -5.06 117.00 116.93 1o5p n LEU 13 Ca -0.01 0.24 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 1o5p n LEU 13 Cb 0.51 -1.04 0.00 0.00 -2.33 0.00 0.00 43.42 40.56 1o5p n LEU 13 CO 0.08 0.69 -0.28 -0.24 -1.33 0.00 0.00 177.39 176.31 1o5p n SER 14 N -3.77 -5.34 -4.47 -1.43 2.88 -1.26 -3.86 113.62 96.37 1o5p n SER 14 Ca -0.35 0.89 -0.46 0.00 -1.33 0.00 0.00 58.87 57.62 1o5p n SER 14 Cb 0.93 -2.52 -0.08 0.00 -0.75 0.00 0.00 64.21 61.78 1o5p n SER 14 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1o5p n ASP 15 N -1.41 1.68 0.00 -3.46 5.75 -1.26 -1.94 116.55 115.92 1o5p n ASP 15 Ca 0.00 0.18 0.00 0.00 -0.01 0.00 0.00 54.79 54.96 1o5p n ASP 15 Cb 0.11 -1.24 0.00 0.00 -1.03 0.00 0.00 41.12 38.96 1o5p n ASP 15 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1o5p n GLY 16 N 6.48 1.52 1.27 6.12 0.00 -1.26 -5.06 105.19 114.27 1o5p n GLY 16 Ca 0.47 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.41 1o5p n GLY 16 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1o5p n THR 17 N -0.65 0.00 -4.67 2.61 5.66 -0.82 -4.96 114.28 111.45 1o5p n THR 17 Ca 0.00 -0.68 -0.23 0.00 -3.05 0.00 0.00 64.05 60.09 1o5p n THR 17 Cb 0.00 -0.59 -0.15 0.00 -1.55 0.00 0.00 70.33 68.04 1o5p n THR 17 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 1o5p s VAL 18 N -0.55 1.14 0.21 1.08 1.01 -1.26 -2.10 120.40 119.94 1o5p s VAL 18 Ca 0.15 -0.61 0.11 0.00 0.00 0.00 0.00 61.98 61.62 1o5p s VAL 18 Cb -0.01 -0.95 -0.04 0.00 0.00 0.00 0.00 36.38 35.37 1o5p s VAL 18 CO 0.10 0.32 -0.17 0.68 0.00 0.00 0.00 175.10 176.03 1o5p s VAL 19 N -0.31 2.71 -0.35 2.92 -7.23 0.18 -4.75 120.40 113.56 1o5p s VAL 19 Ca 0.05 -1.99 -0.08 0.00 -1.81 0.00 0.00 61.98 58.14 1o5p s VAL 19 Cb -0.06 -2.35 0.04 0.00 0.56 0.00 0.00 36.38 34.57 1o5p s VAL 19 CO -0.00 -0.20 0.14 -0.75 -0.31 0.00 0.00 175.10 173.98 1o5p s LYS 20 N -2.97 2.69 -0.22 4.82 2.47 -0.21 -0.72 119.74 125.59 1o5p s LYS 20 Ca 0.25 -1.15 -0.07 0.00 -1.56 0.00 0.00 55.97 53.44 1o5p s LYS 20 Cb -0.07 -3.56 -0.03 0.00 -1.46 0.00 0.00 37.83 32.70 1o5p s LYS 20 CO 0.13 -0.68 0.06 0.54 0.16 0.00 0.00 175.35 175.56 1o5p s VAL 21 N 1.46 4.38 0.37 4.02 0.11 -0.87 -1.52 120.40 128.35 1o5p s VAL 21 Ca -0.00 -0.16 0.09 0.00 -2.93 0.00 0.00 61.98 58.97 1o5p s VAL 21 Cb -0.19 -3.02 -0.07 0.00 -1.53 0.00 0.00 36.38 31.57 1o5p s VAL 21 CO 0.04 0.38 -0.05 0.00 -3.33 0.00 0.00 175.10 172.14 1o5p s ALA 22 N 1.21 3.05 0.01 1.54 0.00 0.36 -2.28 121.76 125.65 1o5p s ALA 22 Ca 0.04 -2.15 0.03 0.00 0.00 0.00 0.00 51.96 49.88 1o5p s ALA 22 Cb -0.14 -0.00 -0.01 0.00 0.00 0.00 0.00 23.12 22.96 1o5p s ALA 22 CO 0.03 0.01 -0.09 0.20 0.00 0.00 0.00 175.76 175.91 1o5p s GLY 23 N -3.65 0.50 -0.14 0.00 0.00 0.38 -0.64 107.32 103.78 1o5p s GLY 23 Ca 0.34 -0.54 -0.06 0.00 0.00 0.00 0.00 44.72 44.46 1o5p s GLY 23 CO 0.17 -0.51 0.30 0.00 0.00 0.00 0.00 173.10 173.06 1o5p s ALA 24 N -0.57 -0.70 0.00 3.20 0.00 -0.36 0.07 121.76 123.40 1o5p s ALA 24 Ca 0.00 1.09 0.00 0.00 0.00 0.00 0.00 51.96 53.05 1o5p s ALA 24 Cb -0.06 -1.00 0.00 0.00 0.00 0.00 0.00 23.12 22.07 1o5p s ALA 24 CO 0.00 -0.55 0.00 0.41 0.00 0.00 0.00 175.76 175.62 1o5p n GLY 25 N 5.08 1.09 3.96 0.00 0.00 -1.05 0.76 105.19 115.03 1o5p n GLY 25 Ca -0.11 -0.45 -0.26 0.00 0.00 0.00 0.00 46.02 45.20 1o5p n GLY 25 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1o5p s LEU 26 N 0.00 2.88 -0.89 0.99 1.43 -0.79 -1.34 118.68 120.97 1o5p s LEU 26 Ca 0.00 -0.04 -0.24 0.00 -1.03 0.00 0.00 54.13 52.82 1o5p s LEU 26 Cb 0.00 -2.27 -0.21 0.00 0.03 0.00 0.00 46.19 43.74 1o5p s LEU 26 CO 0.00 -2.08 2.49 0.00 0.23 0.00 0.00 176.35 176.99 1o5p n GLN 27 N -3.13 0.24 -1.25 1.70 3.00 -1.26 -4.13 117.38 112.54 1o5p n GLN 27 Ca 0.14 -0.08 -0.16 0.00 -0.01 0.00 0.00 57.00 56.89 1o5p n GLN 27 Cb 0.60 -1.93 -0.09 0.00 0.00 0.00 0.00 30.24 28.82 1o5p n GLN 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1o5p n ALA 28 N 11.06 0.34 0.00 -1.58 0.00 -1.23 -1.22 120.51 127.88 1o5p n ALA 28 Ca 0.59 -1.99 0.00 0.00 0.00 0.00 0.00 53.44 52.05 1o5p n ALA 28 Cb 0.19 -2.71 0.00 0.00 0.00 0.00 0.00 19.45 16.93 1o5p n ALA 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1o5p n GLY 29 N 5.49 0.73 2.95 0.00 0.00 0.90 -4.83 105.19 110.43 1o5p n GLY 29 Ca 0.32 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.22 1o5p n GLY 29 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1o5p s THR 30 N -1.07 -0.49 -0.23 2.61 -1.32 -0.36 -4.88 115.64 109.90 1o5p s THR 30 Ca 0.00 0.06 -0.41 0.00 -1.21 0.00 0.00 61.69 60.14 1o5p s THR 30 Cb 0.00 -0.65 -0.17 0.00 -1.51 0.00 0.00 72.50 70.18 1o5p s THR 30 CO 0.00 -0.04 1.61 0.00 -2.21 0.00 0.00 174.62 173.98 1o5p n ALA 31 N 5.35 -0.71 -2.50 11.08 0.00 -1.26 -2.70 120.51 129.77 1o5p n ALA 31 Ca -0.06 0.44 -0.27 0.00 0.00 0.00 0.00 53.44 53.56 1o5p n ALA 31 Cb 0.50 -2.12 -0.10 0.00 0.00 0.00 0.00 19.45 17.72 1o5p n ALA 31 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1o5p s TYR 32 N 2.69 2.48 0.38 0.00 1.51 0.15 -4.17 117.35 120.39 1o5p s TYR 32 Ca 0.96 -0.28 0.07 0.00 -1.01 0.00 0.00 57.07 56.81 1o5p s TYR 32 Cb -1.13 -1.22 -0.00 0.00 -0.11 0.00 0.00 41.96 39.51 1o5p s TYR 32 CO 0.64 0.51 0.51 0.34 -1.11 0.00 0.00 175.55 176.44 1o5p s ASP 33 N -2.77 5.76 -0.14 2.29 2.15 0.73 -1.25 116.67 123.44 1o5p s ASP 33 Ca 0.23 -0.33 -0.05 0.00 0.43 0.00 0.00 52.55 52.83 1o5p s ASP 33 Cb -0.08 -0.92 0.06 0.00 -0.30 0.00 0.00 42.92 41.68 1o5p s ASP 33 CO 0.13 -0.59 0.29 0.54 -0.17 0.00 0.00 175.17 175.36 1o5p s VAL 34 N -2.27 -0.35 -0.02 1.11 0.11 -0.45 -0.92 120.40 117.60 1o5p s VAL 34 Ca 0.50 0.23 -0.24 0.00 -2.93 0.00 0.00 61.98 59.54 1o5p s VAL 34 Cb -0.09 -0.47 0.08 0.00 -1.53 0.00 0.00 36.38 34.36 1o5p s VAL 34 CO 0.32 0.10 1.06 0.61 -3.33 0.00 0.00 175.10 173.86 1o5p n GLY 35 N 5.08 0.28 3.43 6.54 0.00 -0.93 -0.29 105.19 119.31 1o5p n GLY 35 Ca -0.11 -1.01 -0.43 0.00 0.00 0.00 0.00 46.02 44.47 1o5p n GLY 35 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1o5p s GLN 36 N -2.01 2.96 0.07 1.61 -2.07 -1.26 -2.64 119.66 116.31 1o5p s GLN 36 Ca 0.25 -1.13 0.06 0.00 -1.82 0.00 0.00 55.36 52.72 1o5p s GLN 36 Cb -0.01 -4.01 -0.03 0.00 -1.09 0.00 0.00 33.01 27.88 1o5p s GLN 36 CO -0.01 -0.83 -0.15 0.00 -1.32 0.00 0.00 175.29 172.98 1o5p s ALA 38 N -1.12 1.80 -0.35 0.00 0.00 -0.73 -1.68 121.76 119.68 1o5p s ALA 38 Ca 0.00 -0.92 -0.17 0.00 0.00 0.00 0.00 51.96 50.87 1o5p s ALA 38 Cb -0.09 -0.47 -0.01 0.00 0.00 0.00 0.00 23.12 22.55 1o5p s ALA 38 CO 0.02 0.43 0.45 -1.58 0.00 0.00 0.00 175.76 175.09 1o5p s TRP 39 N -0.46 3.19 -0.82 0.00 0.51 -1.26 -1.72 118.94 118.38 1o5p s TRP 39 Ca 0.07 0.08 0.16 0.00 -2.12 0.00 0.00 56.10 54.29 1o5p s TRP 39 Cb -0.09 -2.83 0.57 0.00 -0.81 0.00 0.00 33.47 30.32 1o5p s TRP 39 CO -0.00 -0.50 1.49 1.33 -0.51 0.00 0.00 176.95 178.75 1o5p n VAL 40 N 5.36 1.76 -1.64 4.03 0.24 -0.90 -4.74 118.33 122.44 1o5p n VAL 40 Ca -0.06 -1.33 0.00 0.00 -2.04 0.00 0.00 64.34 60.91 1o5p n VAL 40 Cb 0.49 0.12 0.00 0.00 -1.47 0.00 0.00 33.84 32.98 1o5p n VAL 40 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1o5p n ASP 41 N 0.55 0.00 -4.55 -1.34 9.92 -1.26 -4.96 116.55 114.91 1o5p n ASP 41 Ca 0.21 0.00 -0.37 0.00 -0.53 0.00 0.00 54.79 54.10 1o5p n ASP 41 Cb 0.78 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 41.23 1o5p n ASP 41 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 1o5p s THR 42 N -2.51 3.48 0.00 -3.53 -1.32 -1.26 -2.94 115.64 107.57 1o5p s THR 42 Ca 0.00 0.11 0.00 0.00 -1.21 0.00 0.00 61.69 60.59 1o5p s THR 42 Cb 0.00 -4.23 0.00 0.00 -1.51 0.00 0.00 72.50 66.76 1o5p s THR 42 CO 0.00 -1.18 0.00 0.61 -2.21 0.00 0.00 174.62 171.84 1o5p n GLY 43 N 5.86 0.71 3.10 6.08 0.00 -1.26 -5.05 105.19 114.64 1o5p n GLY 43 Ca 0.20 -0.71 -0.33 0.00 0.00 0.00 0.00 46.02 45.18 1o5p n GLY 43 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1o5p s VAL 44 N -2.00 2.64 -0.33 1.61 1.01 -1.15 -4.98 120.40 117.20 1o5p s VAL 44 Ca 0.00 -1.76 0.00 0.00 0.00 0.00 0.00 61.98 60.22 1o5p s VAL 44 Cb 0.00 -2.66 0.08 0.00 0.00 0.00 0.00 36.38 33.80 1o5p s VAL 44 CO 0.00 -0.28 0.04 -0.22 0.00 0.00 0.00 175.10 174.65 1o5p s LEU 45 N 1.12 4.37 -0.42 3.92 2.96 -1.26 -2.11 118.68 127.25 1o5p s LEU 45 Ca -0.01 -1.71 -0.16 0.00 -0.22 0.00 0.00 54.13 52.02 1o5p s LEU 45 Cb -0.20 -1.69 0.02 0.00 0.50 0.00 0.00 46.19 44.83 1o5p s LEU 45 CO -0.04 -0.35 0.39 0.00 -1.32 0.00 0.00 176.35 175.03 1o5p s ALA 46 N 1.10 3.45 0.32 5.97 0.00 -0.70 -3.43 121.76 128.47 1o5p s ALA 46 Ca 0.02 -1.61 0.07 0.00 0.00 0.00 0.00 51.96 50.43 1o5p s ALA 46 Cb -0.20 -3.00 -0.03 0.00 0.00 0.00 0.00 23.12 19.89 1o5p s ALA 46 CO -0.04 -1.56 0.27 0.00 0.00 0.00 0.00 175.76 174.43 1o5p s ASN 48 N -3.96 4.48 0.00 0.00 2.47 -0.86 -0.89 114.94 116.18 1o5p s ASN 48 Ca 0.39 -0.10 0.00 0.00 0.42 0.00 0.00 52.86 53.57 1o5p s ASN 48 Cb -0.06 -1.22 0.00 0.00 -1.45 0.00 0.00 41.25 38.51 1o5p s ASN 48 CO 0.26 0.32 0.48 -0.81 -3.72 0.00 0.00 177.10 173.63 1o5p n PRO 49 N 2.52 0.66 0.00 0.43 -0.04 -1.26 -3.25 135.00 134.06 1o5p n PRO 49 Ca -0.18 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.37 1o5p n PRO 49 Cb 0.53 -1.26 -0.07 0.00 -0.04 0.00 0.00 33.50 32.66 1o5p n PRO 49 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1o5p n ALA 50 N 0.40 4.00 -0.78 0.55 0.00 -1.26 -4.37 120.51 119.04 1o5p n ALA 50 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 53.44 52.91 1o5p n ALA 50 Cb 0.24 -0.65 0.00 0.00 0.00 0.00 0.00 19.45 19.04 1o5p n ALA 50 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1o5p n ASP 51 N -0.99 0.41 -4.57 0.00 9.92 -1.20 -3.30 116.55 116.82 1o5p n ASP 51 Ca 0.05 -1.19 -0.21 0.00 -0.53 0.00 0.00 54.79 52.90 1o5p n ASP 51 Cb 0.31 0.00 -0.07 0.00 -0.64 0.00 0.00 41.12 40.72 1o5p n ASP 51 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 1o5p s PHE 52 N -0.19 1.55 0.00 1.24 0.08 -1.25 -3.55 117.98 115.86 1o5p s PHE 52 Ca 0.00 1.27 0.00 0.00 0.12 0.00 0.00 56.93 58.32 1o5p s PHE 52 Cb 0.00 -3.74 0.00 0.00 -0.57 0.00 0.00 43.02 38.71 1o5p s PHE 52 CO 0.00 -1.40 0.00 0.43 -0.10 0.00 0.00 175.22 174.15 1o5p n SER 53 N 16.36 1.56 0.00 1.36 7.64 0.61 -4.94 113.62 136.21 1o5p n SER 53 Ca 0.43 -0.99 0.00 0.00 1.01 0.00 0.00 58.87 59.33 1o5p n SER 53 Cb 0.46 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.66 1o5p n SER 53 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1o5p n SER 54 N -1.42 0.00 -3.97 6.43 2.88 -1.26 -1.35 113.62 114.94 1o5p n SER 54 Ca 0.00 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.46 1o5p n SER 54 Cb 0.00 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.37 1o5p n SER 54 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1o5p s VAL 55 N -0.39 0.18 0.01 2.46 0.11 -0.38 -4.93 120.40 117.46 1o5p s VAL 55 Ca 0.00 -1.46 -0.06 0.00 -2.93 0.00 0.00 61.98 57.53 1o5p s VAL 55 Cb 0.00 -1.40 -0.05 0.00 -1.53 0.00 0.00 36.38 33.41 1o5p s VAL 55 CO 0.00 -0.81 0.26 -0.89 -3.33 0.00 0.00 175.10 170.33 1o5p s THR 56 N -3.82 5.32 -0.32 5.04 2.01 -1.26 0.33 115.64 122.94 1o5p s THR 56 Ca 0.05 0.09 -0.28 0.00 0.31 0.00 0.00 61.69 61.86 1o5p s THR 56 Cb 0.06 -3.57 -0.02 0.00 0.01 0.00 0.00 72.50 68.98 1o5p s THR 56 CO -0.10 0.33 1.82 0.00 -0.69 0.00 0.00 174.62 175.98 1o5p s ALA 57 N -1.33 2.86 0.00 7.40 0.00 -1.10 -4.70 121.76 124.89 1o5p s ALA 57 Ca 0.28 0.28 0.00 0.00 0.00 0.00 0.00 51.96 52.53 1o5p s ALA 57 Cb -0.13 -4.02 0.00 0.00 0.00 0.00 0.00 23.12 18.97 1o5p s ALA 57 CO 0.17 -2.65 0.00 -0.40 0.00 0.00 0.00 175.76 172.89 1o5p n ASP 58 N 10.38 0.00 -0.09 0.00 5.75 -1.26 0.31 116.55 131.64 1o5p n ASP 58 Ca 0.23 0.00 -0.07 0.00 -0.01 0.00 0.00 54.79 54.95 1o5p n ASP 58 Cb 0.47 0.00 -0.00 0.00 -1.03 0.00 0.00 41.12 40.55 1o5p n ASP 58 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1o5p h ALA 59 N -2.00 0.04 0.00 2.12 0.00 -1.93 -3.11 119.26 114.38 1o5p h ALA 59 Ca 0.00 0.12 -0.33 0.00 0.00 0.00 0.00 54.91 54.70 1o5p h ALA 59 Cb 0.00 0.44 -0.06 0.00 0.00 0.00 0.00 17.79 18.17 1o5p h ALA 59 CO 0.00 -0.58 -2.25 0.09 0.00 0.00 0.00 179.25 176.52 1o5p n ASN 60 N -5.36 1.22 0.00 0.00 3.02 -1.26 -4.55 115.26 108.33 1o5p n ASN 60 Ca 0.01 -0.05 0.00 0.00 -0.03 0.00 0.00 54.58 54.51 1o5p n ASN 60 Cb 0.27 0.45 0.00 0.00 -0.61 0.00 0.00 39.78 39.89 1o5p n ASN 60 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1o5p n GLY 61 N 2.10 0.72 3.76 7.41 0.00 -1.18 -1.88 105.19 116.10 1o5p n GLY 61 Ca -0.33 -0.76 -0.35 0.00 0.00 0.00 0.00 46.02 44.57 1o5p n GLY 61 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1o5p s SER 62 N -1.18 6.25 -0.20 1.61 1.04 -1.26 -2.49 113.70 117.47 1o5p s SER 62 Ca 0.00 0.28 -0.04 0.00 0.48 0.00 0.00 55.95 56.67 1o5p s SER 62 Cb 0.00 -2.09 0.06 0.00 0.10 0.00 0.00 66.02 64.10 1o5p s SER 62 CO 0.00 0.22 0.07 0.00 0.98 0.00 0.00 173.24 174.51 1o5p s ALA 63 N 0.11 0.75 -0.20 5.32 0.00 0.11 -4.62 121.76 123.23 1o5p s ALA 63 Ca 0.09 -0.60 -0.00 0.00 0.00 0.00 0.00 51.96 51.45 1o5p s ALA 63 Cb -0.11 -1.15 0.02 0.00 0.00 0.00 0.00 23.12 21.87 1o5p s ALA 63 CO -0.01 -1.23 -0.14 -1.54 0.00 0.00 0.00 175.76 172.84 1o5p s SER 64 N 1.99 3.65 -0.08 0.00 1.04 -1.26 0.14 113.70 119.17 1o5p s SER 64 Ca 0.02 -0.69 -0.09 0.00 0.48 0.00 0.00 55.95 55.67 1o5p s SER 64 Cb -0.17 -1.57 0.02 0.00 0.10 0.00 0.00 66.02 64.41 1o5p s SER 64 CO -0.11 -0.04 0.24 0.28 0.98 0.00 0.00 173.24 174.58 1o5p s THR 65 N 1.32 0.01 -0.13 2.02 -1.32 -0.97 -5.00 115.64 111.57 1o5p s THR 65 Ca 0.03 -0.05 -0.09 0.00 -1.21 0.00 0.00 61.69 60.37 1o5p s THR 65 Cb -0.14 -0.35 -0.05 0.00 -1.51 0.00 0.00 72.50 70.45 1o5p s THR 65 CO -0.09 -0.03 0.18 -0.94 -2.21 0.00 0.00 174.62 171.53 1o5p s SER 66 N -0.01 6.40 0.25 8.08 1.04 -1.26 -2.05 113.70 126.15 1o5p s SER 66 Ca -0.01 0.47 0.02 0.00 0.48 0.00 0.00 55.95 56.91 1o5p s SER 66 Cb -0.02 -2.11 -0.05 0.00 0.10 0.00 0.00 66.02 63.94 1o5p s SER 66 CO 0.01 0.31 0.05 -0.76 0.98 0.00 0.00 173.24 173.83 1o5p s LEU 67 N -0.52 1.92 -0.22 2.42 1.02 0.10 -4.92 118.68 118.48 1o5p s LEU 67 Ca 0.14 -1.31 -0.08 0.00 0.02 0.00 0.00 54.13 52.91 1o5p s LEU 67 Cb -0.12 -0.12 -0.04 0.00 0.02 0.00 0.00 46.19 45.93 1o5p s LEU 67 CO 0.04 -0.63 0.08 0.42 0.02 0.00 0.00 176.35 176.27 1o5p s THR 68 N -3.59 4.62 0.01 5.49 -4.23 -1.21 0.47 115.64 117.21 1o5p s THR 68 Ca 0.33 -0.08 0.01 0.00 -1.18 0.00 0.00 61.69 60.78 1o5p s THR 68 Cb 0.07 -3.13 -0.01 0.00 1.34 0.00 0.00 72.50 70.77 1o5p s THR 68 CO 0.11 0.38 -0.05 0.68 -0.54 0.00 0.00 174.62 175.21 1o5p s VAL 69 N 1.08 0.35 0.00 2.29 -7.23 -0.89 -4.29 120.40 111.71 1o5p s VAL 69 Ca 0.05 -0.43 0.00 0.00 -1.81 0.00 0.00 61.98 59.79 1o5p s VAL 69 Cb -0.14 -0.35 0.00 0.00 0.56 0.00 0.00 36.38 36.45 1o5p s VAL 69 CO 0.03 -0.06 0.00 -2.11 -0.31 0.00 0.00 175.10 172.65 1o5p n ARG 70 N 2.54 0.00 0.00 4.82 1.85 -1.26 -4.26 116.66 120.34 1o5p n ARG 70 Ca -0.16 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.69 1o5p n ARG 70 Cb 0.57 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.98 1o5p n ARG 70 CO 0.00 0.00 0.00 2.89 -0.01 0.00 0.00 177.63 180.51 1o5p n ARG 71 N 0.00 0.00 -1.73 2.89 0.00 -1.26 -4.63 116.66 111.93 1o5p n ARG 71 Ca 0.00 0.00 -0.40 0.00 -0.00 0.00 0.00 57.85 57.45 1o5p n ARG 71 Cb 0.00 -0.01 0.02 0.00 -0.00 0.00 0.00 32.46 32.47 1o5p n ARG 71 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 1o5p n SER 72 N 0.00 2.82 -3.63 2.89 7.64 -1.26 -1.83 113.62 120.25 1o5p n SER 72 Ca 0.00 1.08 -0.11 0.00 1.01 0.00 0.00 58.87 60.85 1o5p n SER 72 Cb 0.00 -1.55 -0.07 0.00 -1.01 0.00 0.00 64.21 61.58 1o5p n SER 72 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 1o5p s PHE 73 N -1.22 -0.70 -0.30 1.43 -0.71 -0.62 -4.81 117.98 111.06 1o5p s PHE 73 Ca 0.63 1.65 -0.34 0.00 -1.04 0.00 0.00 56.93 57.83 1o5p s PHE 73 Cb -0.47 0.34 -0.15 0.00 -1.21 0.00 0.00 43.02 41.53 1o5p s PHE 73 CO 0.56 -0.34 1.10 0.39 -1.34 0.00 0.00 175.22 175.60 1o5p n GLU 74 N 2.72 0.00 -1.32 1.99 -0.58 -1.26 -1.33 120.64 120.86 1o5p n GLU 74 Ca -0.14 0.00 -0.25 0.00 -0.42 0.00 0.00 57.16 56.35 1o5p n GLU 74 Cb 0.56 -1.11 -0.01 0.00 -0.57 0.00 0.00 31.44 30.31 1o5p n GLU 74 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1o5p n GLY 75 N 2.59 4.47 3.17 0.62 0.00 -0.33 -2.63 105.19 113.07 1o5p n GLY 75 Ca 0.21 -1.71 -0.58 0.00 0.00 0.00 0.00 46.02 43.94 1o5p n GLY 75 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1o5p n PHE 76 N 0.48 1.19 -2.94 1.61 3.01 -0.07 -2.18 117.46 118.56 1o5p n PHE 76 Ca 0.44 0.79 -0.41 0.00 1.01 0.00 0.00 57.45 59.29 1o5p n PHE 76 Cb 0.55 -2.18 -0.04 0.00 -0.01 0.00 0.00 39.48 37.80 1o5p n PHE 76 CO 0.00 0.00 0.00 -1.17 1.01 0.00 0.00 176.76 176.60 1o5p s LEU 77 N 5.30 4.27 -0.21 4.37 2.96 -0.65 -1.94 118.68 132.77 1o5p s LEU 77 Ca 1.12 1.24 -0.01 0.00 -0.22 0.00 0.00 54.13 56.26 1o5p s LEU 77 Cb -1.43 -3.21 -0.02 0.00 0.50 0.00 0.00 46.19 42.03 1o5p s LEU 77 CO 0.65 -0.25 1.26 0.33 -1.32 0.00 0.00 176.35 177.02 1o5p n PHE 78 N 4.39 0.32 -1.84 5.38 7.35 -1.22 -2.85 117.46 128.99 1o5p n PHE 78 Ca 0.02 -0.79 -0.00 0.00 -0.76 0.00 0.00 57.45 55.92 1o5p n PHE 78 Cb 0.50 -0.85 -0.00 0.00 0.35 0.00 0.00 39.48 39.49 1o5p n PHE 78 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 1o5p n ASP 79 N 4.44 -0.02 0.00 -2.13 -0.08 -1.26 -4.98 116.55 112.52 1o5p n ASP 79 Ca 0.12 -0.85 0.00 0.00 -1.51 0.00 0.00 54.79 52.54 1o5p n ASP 79 Cb 0.06 0.01 0.00 0.00 2.34 0.00 0.00 41.12 43.52 1o5p n ASP 79 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1o5p n GLY 80 N 0.00 2.76 3.87 0.27 0.00 -1.13 -4.99 105.19 105.98 1o5p n GLY 80 Ca -0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1o5p n GLY 80 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1o5p s THR 81 N -0.93 4.91 -0.17 2.61 -4.23 -1.26 -4.95 115.64 111.62 1o5p s THR 81 Ca 0.00 0.49 -0.08 0.00 -1.18 0.00 0.00 61.69 60.91 1o5p s THR 81 Cb 0.00 -3.63 -0.04 0.00 1.34 0.00 0.00 72.50 70.17 1o5p s THR 81 CO 0.00 -0.12 0.11 0.00 -0.54 0.00 0.00 174.62 174.07 1o5p s ARG 82 N -2.93 3.89 0.24 3.99 1.70 -1.26 -1.63 118.95 122.95 1o5p s ARG 82 Ca 0.48 -0.23 0.25 0.00 -0.47 0.00 0.00 55.73 55.75 1o5p s ARG 82 Cb -0.11 -3.28 0.60 0.00 -0.57 0.00 0.00 34.95 31.59 1o5p s ARG 82 CO 0.22 0.44 1.64 2.35 -1.08 0.00 0.00 175.30 178.87 1o5p h TRP 83 N 6.16 0.00 0.00 5.89 7.01 -1.77 -3.46 115.95 129.79 1o5p h TRP 83 Ca -0.44 0.00 0.00 0.00 2.11 0.00 0.00 58.89 60.56 1o5p h TRP 83 Cb 1.18 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 28.24 1o5p h TRP 83 CO 0.62 0.00 0.00 0.41 -2.79 0.00 0.00 178.44 176.68 1o5p n GLY 84 N 1.26 1.32 3.57 2.65 0.00 -1.26 -4.87 105.19 107.87 1o5p n GLY 84 Ca 0.05 -2.13 -0.39 0.00 0.00 0.00 0.00 46.02 43.54 1o5p n GLY 84 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1o5p s THR 85 N -1.56 3.17 -0.50 2.61 -4.23 -1.26 -1.18 115.64 112.68 1o5p s THR 85 Ca 0.00 0.14 -0.28 0.00 -1.18 0.00 0.00 61.69 60.37 1o5p s THR 85 Cb 0.00 -3.34 0.01 0.00 1.34 0.00 0.00 72.50 70.51 1o5p s THR 85 CO 0.00 -0.29 1.49 -0.69 -0.54 0.00 0.00 174.62 174.59 1o5p s VAL 86 N 9.73 3.75 -0.28 2.29 1.01 -0.44 -4.64 120.40 131.81 1o5p s VAL 86 Ca 0.88 0.68 -0.28 0.00 0.00 0.00 0.00 61.98 63.26 1o5p s VAL 86 Cb -0.20 -4.25 -0.03 0.00 0.00 0.00 0.00 36.38 31.90 1o5p s VAL 86 CO 0.28 -0.95 1.85 -1.81 0.00 0.00 0.00 175.10 174.47 1o5p s ASP 87 N 4.78 5.90 0.00 3.32 1.11 -1.26 -1.59 116.67 128.94 1o5p s ASP 87 Ca 0.59 1.50 0.06 0.00 0.18 0.00 0.00 52.55 54.87 1o5p s ASP 87 Cb -0.13 -2.52 0.29 0.00 1.07 0.00 0.00 42.92 41.62 1o5p s ASP 87 CO 0.28 -1.67 1.01 0.00 1.18 0.00 0.00 175.17 175.97 1o5p n THR 89 N -1.27 0.00 -0.05 0.00 -2.24 -1.26 -4.08 114.28 105.37 1o5p n THR 89 Ca 0.03 -0.13 -0.10 0.00 -2.27 0.00 0.00 64.05 61.57 1o5p n THR 89 Cb 0.04 0.05 -0.04 0.00 -2.10 0.00 0.00 70.33 68.29 1o5p n THR 89 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1o5p n THR 90 N -0.41 0.54 -3.55 4.28 -2.24 -0.17 -5.06 114.28 107.66 1o5p n THR 90 Ca 0.20 -0.14 -0.20 0.00 -2.27 0.00 0.00 64.05 61.64 1o5p n THR 90 Cb 0.25 -1.57 0.02 0.00 -2.10 0.00 0.00 70.33 66.94 1o5p n THR 90 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1o5p n ALA 91 N -3.39 0.83 -3.01 6.98 0.00 -1.19 -5.10 120.51 115.63 1o5p n ALA 91 Ca -0.19 -1.83 -0.38 0.00 0.00 0.00 0.00 53.44 51.03 1o5p n ALA 91 Cb 0.64 0.67 -0.12 0.00 0.00 0.00 0.00 19.45 20.64 1o5p n ALA 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1o5p s ALA 92 N -2.64 3.18 -0.24 0.00 0.00 -1.26 -4.72 121.76 116.08 1o5p s ALA 92 Ca 0.35 -1.39 -0.14 0.00 0.00 0.00 0.00 51.96 50.78 1o5p s ALA 92 Cb -0.03 -2.26 -0.04 0.00 0.00 0.00 0.00 23.12 20.79 1o5p s ALA 92 CO 0.22 -0.88 0.30 0.00 0.00 0.00 0.00 175.76 175.41 1o5p s GLN 94 N 1.45 3.15 -0.33 0.00 -0.21 -0.67 -2.57 119.66 120.48 1o5p s GLN 94 Ca 0.14 -0.50 -0.09 0.00 0.02 0.00 0.00 55.36 54.93 1o5p s GLN 94 Cb -0.15 -2.90 0.01 0.00 1.00 0.00 0.00 33.01 30.98 1o5p s GLN 94 CO 0.08 0.62 0.14 0.08 -2.12 0.00 0.00 175.29 174.09 1o5p s VAL 95 N -1.33 4.29 0.00 1.09 1.01 0.13 -2.21 120.40 123.38 1o5p s VAL 95 Ca 0.28 -0.71 0.00 0.00 0.00 0.00 0.00 61.98 61.54 1o5p s VAL 95 Cb -0.12 -3.28 0.00 0.00 0.00 0.00 0.00 36.38 32.98 1o5p s VAL 95 CO 0.20 -0.04 0.00 0.61 0.00 0.00 0.00 175.10 175.87 1o5p n GLY 96 N 4.93 2.50 3.02 4.51 0.00 -1.08 0.26 105.19 119.33 1o5p n GLY 96 Ca -0.13 -1.16 -0.21 0.00 0.00 0.00 0.00 46.02 44.51 1o5p n GLY 96 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1o5p n LEU 97 N 0.00 0.00 -3.75 0.99 4.32 -1.24 -2.18 117.00 115.14 1o5p n LEU 97 Ca 0.00 -2.30 -0.01 0.00 -0.02 0.00 0.00 56.01 53.68 1o5p n LEU 97 Cb 0.00 -0.01 -0.00 0.00 -1.62 0.00 0.00 43.42 41.79 1o5p n LEU 97 CO 0.00 -0.51 0.87 -0.94 -1.22 0.00 0.00 177.39 175.59 1o5p s SER 98 N -3.55 -0.10 0.00 -1.43 1.04 -0.09 -4.36 113.70 105.21 1o5p s SER 98 Ca 0.23 -0.35 0.00 0.00 0.48 0.00 0.00 55.95 56.31 1o5p s SER 98 Cb -0.02 0.36 0.00 0.00 0.10 0.00 0.00 66.02 66.47 1o5p s SER 98 CO 0.15 -0.69 0.00 -0.90 0.98 0.00 0.00 173.24 172.78 1o5p n ASP 99 N -0.64 1.76 -1.49 7.02 5.75 -1.22 0.26 116.55 128.00 1o5p n ASP 99 Ca -0.06 -0.18 -0.13 0.00 -0.01 0.00 0.00 54.79 54.41 1o5p n ASP 99 Cb 0.61 0.00 0.09 0.00 -1.03 0.00 0.00 41.12 40.79 1o5p n ASP 99 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1o5p n ALA 100 N -3.00 4.53 0.00 2.12 0.00 -1.26 -4.64 120.51 118.26 1o5p n ALA 100 Ca 0.00 -3.60 0.00 0.00 0.00 0.00 0.00 53.44 49.84 1o5p n ALA 100 Cb 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 19.45 19.09 1o5p n ALA 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1o5p n ALA 101 N -0.87 1.94 0.00 0.00 0.00 -1.26 -5.02 120.51 115.30 1o5p n ALA 101 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.79 1o5p n ALA 101 Cb 0.87 0.31 0.00 0.00 0.00 0.00 0.00 19.45 20.62 1o5p n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1o5p n GLY 102 N 2.97 0.79 2.98 0.00 0.00 -1.26 -5.14 105.19 105.53 1o5p n GLY 102 Ca 0.00 -0.06 -0.08 0.00 0.00 0.00 0.00 46.02 45.88 1o5p n GLY 102 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1o5p n ASN 103 N 0.00 -1.76 -0.12 1.61 5.03 -1.26 -4.98 115.26 113.78 1o5p n ASN 103 Ca 0.00 -2.31 0.00 0.00 0.87 0.00 0.00 54.58 53.14 1o5p n ASN 103 Cb 0.00 2.96 0.00 0.00 -1.02 0.00 0.00 39.78 41.72 1o5p n ASN 103 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1o5p n GLY 104 N -0.43 2.41 2.62 7.41 0.00 -1.26 -3.37 105.19 112.57 1o5p n GLY 104 Ca -0.06 -0.75 -0.10 0.00 0.00 0.00 0.00 46.02 45.10 1o5p n GLY 104 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1o5p n PRO 105 N 0.00 -0.47 -2.21 1.61 -0.02 -1.26 -4.91 135.00 127.74 1o5p n PRO 105 Ca 0.00 -0.49 -0.18 0.00 -2.02 0.00 0.00 63.50 60.81 1o5p n PRO 105 Cb 0.00 -1.21 0.09 0.00 -0.02 0.00 0.00 33.50 32.36 1o5p n PRO 105 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1o5p n GLU 106 N -0.34 0.16 -4.53 -0.52 -0.58 -1.26 -4.68 120.64 108.88 1o5p n GLU 106 Ca 0.05 -2.19 -0.25 0.00 -0.42 0.00 0.00 57.16 54.35 1o5p n GLU 106 Cb 0.20 -0.46 -0.11 0.00 -0.57 0.00 0.00 31.44 30.50 1o5p n GLU 106 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 1o5p s GLY 107 N -4.44 2.18 -0.18 0.62 0.00 -1.26 -3.68 107.32 100.56 1o5p s GLY 107 Ca 0.51 -2.10 -0.08 0.00 0.00 0.00 0.00 44.72 43.05 1o5p s GLY 107 CO 0.34 -1.99 0.08 0.14 0.00 0.00 0.00 173.10 171.67 1o5p s VAL 108 N -2.77 4.96 -0.10 1.40 1.01 0.14 -4.74 120.40 120.30 1o5p s VAL 108 Ca 0.33 0.03 -0.30 0.00 0.00 0.00 0.00 61.98 62.04 1o5p s VAL 108 Cb 0.05 -3.24 -0.03 0.00 0.00 0.00 0.00 36.38 33.16 1o5p s VAL 108 CO 0.16 0.46 1.28 0.00 0.00 0.00 0.00 175.10 177.00 1o5p s ALA 109 N 0.30 3.60 0.44 5.51 0.00 -1.26 0.20 121.76 130.55 1o5p s ALA 109 Ca 0.05 0.59 0.05 0.00 0.00 0.00 0.00 51.96 52.65 1o5p s ALA 109 Cb -0.12 -3.59 0.01 0.00 0.00 0.00 0.00 23.12 19.42 1o5p s ALA 109 CO -0.00 -1.03 0.62 0.96 0.00 0.00 0.00 175.76 176.31 1o5p s ILE 110 N 2.99 3.17 0.07 0.00 -4.36 -1.06 -4.81 121.20 117.21 1o5p s ILE 110 Ca 0.57 -0.86 0.01 0.00 -0.26 0.00 0.00 60.65 60.11 1o5p s ILE 110 Cb -0.24 -3.11 -0.04 0.00 1.25 0.00 0.00 42.46 40.32 1o5p s ILE 110 CO 0.19 -0.05 -0.06 -0.44 0.24 0.00 0.00 174.94 174.82 1o5p s SER 111 N -4.33 0.92 -0.46 4.36 0.01 0.18 -4.74 113.70 109.64 1o5p s SER 111 Ca 0.53 -0.89 0.08 0.00 1.31 0.00 0.00 55.95 56.98 1o5p s SER 111 Cb -0.10 0.10 0.26 0.00 0.21 0.00 0.00 66.02 66.49 1o5p s SER 111 CO 0.35 -0.43 0.61 0.49 0.41 0.00 0.00 173.24 174.67 1o5p n PHE 112 N 0.37 0.94 0.00 2.43 3.72 -1.26 -2.93 117.46 120.72 1o5p n PHE 112 Ca -0.15 -3.76 0.00 0.00 -0.05 0.00 0.00 57.45 53.49 1o5p n PHE 112 Cb 0.59 -0.42 0.00 0.00 -0.94 0.00 0.00 39.48 38.72 1o5p n PHE 112 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98