#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 3.24 0.86 0.00 0.00 -1.26 -4.99 121.76 119.62 1o5p s ALA 2 Ca 0.00 -1.64 -0.12 0.00 0.00 0.00 0.00 51.96 50.20 1o5p s ALA 2 Cb 0.00 0.28 0.11 0.00 0.00 0.00 0.00 23.12 23.52 1o5p s ALA 2 CO 0.00 -0.15 1.17 -2.30 0.00 0.00 0.00 175.76 174.47 1o5p n PRO 3 N -0.99 -0.13 -1.93 0.00 -0.02 -0.51 -4.19 135.00 127.24 1o5p n PRO 3 Ca -0.08 0.04 0.00 0.00 -2.02 0.00 0.00 63.50 61.44 1o5p n PRO 3 Cb 0.67 -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 -3.76 0.00 -3.64 3.45 5.66 0.27 -4.86 114.28 111.41 1o5p n THR 4 Ca 0.13 0.00 -0.05 0.00 -3.05 0.00 0.00 64.05 61.08 1o5p n THR 4 Cb 0.51 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 69.22 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 -2.10 -0.33 1.79 0.00 -1.26 -0.87 121.76 118.00 1o5p s ALA 5 Ca 0.00 2.25 -0.03 0.00 0.00 0.00 0.00 51.96 54.18 1o5p s ALA 5 Cb 0.00 -1.58 0.05 0.00 0.00 0.00 0.00 23.12 21.59 1o5p s ALA 5 CO 0.00 -0.35 0.06 -0.08 0.00 0.00 0.00 175.76 175.39 1o5p s THR 6 N 1.34 3.29 -0.05 0.00 -1.32 -0.02 -4.84 115.64 114.03 1o5p s THR 6 Ca -0.08 -1.39 0.05 0.00 -1.21 0.00 0.00 61.69 59.06 1o5p s THR 6 Cb -0.04 -2.92 -0.02 0.00 -1.51 0.00 0.00 72.50 68.00 1o5p s THR 6 CO -0.16 -0.20 -0.18 -0.69 -2.21 0.00 0.00 174.62 171.18 1o5p s VAL 7 N 1.29 2.75 -0.26 5.08 1.01 -1.26 -0.27 120.40 128.75 1o5p s VAL 7 Ca -0.02 -0.84 -0.30 0.00 0.00 0.00 0.00 61.98 60.83 1o5p s VAL 7 Cb -0.20 -2.05 0.18 0.00 0.00 0.00 0.00 36.38 34.31 1o5p s VAL 7 CO -0.00 0.58 1.29 -0.89 0.00 0.00 0.00 175.10 176.08 1o5p s THR 8 N -0.60 0.00 0.46 3.92 2.01 -0.38 -4.54 115.64 116.51 1o5p s THR 8 Ca 0.09 0.00 -0.20 0.00 0.31 0.00 0.00 61.69 61.88 1o5p s THR 8 Cb -0.11 -1.00 -0.10 0.00 0.01 0.00 0.00 72.50 71.30 1o5p s THR 8 CO 0.01 0.00 0.98 -2.16 -0.69 0.00 0.00 174.62 172.76 1o5p s PRO 9 N -1.07 4.07 0.07 4.92 0.05 -1.26 -0.85 135.00 140.93 1o5p s PRO 9 Ca 0.07 1.18 0.21 0.00 0.05 0.00 0.00 61.00 62.50 1o5p s PRO 9 Cb -0.01 -2.15 -0.15 0.00 0.05 0.00 0.00 34.50 32.24 1o5p s PRO 9 CO -0.06 -0.17 0.76 -1.13 0.05 0.00 0.00 177.00 176.44 1o5p n SER 10 N -0.83 0.55 -4.27 6.66 3.41 -1.26 -4.76 113.62 113.11 1o5p n SER 10 Ca 0.08 0.22 -0.15 0.00 -0.26 0.00 0.00 58.87 58.76 1o5p n SER 10 Cb 0.54 0.86 -0.10 0.00 -0.26 0.00 0.00 64.21 65.25 1o5p n SER 10 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1o5p s SER 11 N -5.23 1.67 -0.34 4.04 0.01 -1.26 0.48 113.70 113.07 1o5p s SER 11 Ca -0.04 -1.11 -0.02 0.00 1.31 0.00 0.00 55.95 56.09 1o5p s SER 11 Cb 0.10 0.02 0.00 0.00 0.21 0.00 0.00 66.02 66.36 1o5p s SER 11 CO 0.83 -0.44 0.26 0.61 0.41 0.00 0.00 173.24 174.91 1o5p n GLY 12 N -0.27 0.55 0.13 3.44 0.00 -1.13 -4.90 105.19 103.01 1o5p n GLY 12 Ca -0.08 -0.47 -0.22 0.00 0.00 0.00 0.00 46.02 45.25 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 -1.51 2.31 -1.30 0.99 4.77 -1.26 -5.07 117.00 115.92 1o5p n LEU 13 Ca -0.00 0.28 0.00 0.00 -0.03 0.00 0.00 56.01 56.26 1o5p n LEU 13 Cb 0.52 -1.03 0.00 0.00 -2.33 0.00 0.00 43.42 40.58 1o5p n LEU 13 CO 0.15 0.62 -0.39 -0.24 -1.33 0.00 0.00 177.39 176.20 1o5p n SER 14 N -3.89 -7.08 -4.47 -1.43 2.88 -1.26 -3.79 113.62 94.58 1o5p n SER 14 Ca -0.34 1.36 -0.50 0.00 -1.33 0.00 0.00 58.87 58.06 1o5p n SER 14 Cb 0.89 -3.93 -0.06 0.00 -0.75 0.00 0.00 64.21 60.35 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 -1.86 2.30 0.00 -3.46 5.75 -1.26 -2.12 116.55 115.90 1o5p n ASP 15 Ca 0.00 0.38 0.00 0.00 -0.01 0.00 0.00 54.79 55.16 1o5p n ASP 15 Cb 0.25 -1.31 0.00 0.00 -1.03 0.00 0.00 41.12 39.03 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 6.42 1.36 1.02 6.12 0.00 -1.26 -5.05 105.19 113.79 1o5p n GLY 16 Ca 0.39 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.36 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 -0.53 0.00 -4.23 2.61 5.66 -0.90 -4.97 114.28 111.92 1o5p n THR 17 Ca 0.00 -0.51 -0.17 0.00 -3.05 0.00 0.00 64.05 60.32 1o5p n THR 17 Cb 0.00 -0.81 -0.14 0.00 -1.55 0.00 0.00 70.33 67.83 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 -0.04 0.57 0.19 1.08 1.01 -1.26 -2.31 120.40 119.64 1o5p s VAL 18 Ca 0.15 -0.41 0.10 0.00 0.00 0.00 0.00 61.98 61.82 1o5p s VAL 18 Cb -0.01 -0.50 -0.04 0.00 0.00 0.00 0.00 36.38 35.83 1o5p s VAL 18 CO 0.09 0.09 -0.15 0.68 0.00 0.00 0.00 175.10 175.82 1o5p s VAL 19 N -0.32 2.88 -0.36 2.92 -7.23 0.12 -4.73 120.40 113.68 1o5p s VAL 19 Ca 0.01 -1.83 -0.08 0.00 -1.81 0.00 0.00 61.98 58.27 1o5p s VAL 19 Cb -0.04 -2.42 0.04 0.00 0.56 0.00 0.00 36.38 34.53 1o5p s VAL 19 CO -0.00 -0.14 0.16 -0.75 -0.31 0.00 0.00 175.10 174.06 1o5p s LYS 20 N -2.84 2.65 -0.12 4.82 2.20 -0.03 -0.90 119.74 125.51 1o5p s LYS 20 Ca 0.24 -1.22 -0.07 0.00 -0.36 0.00 0.00 55.97 54.57 1o5p s LYS 20 Cb -0.08 -3.58 -0.04 0.00 -1.51 0.00 0.00 37.83 32.62 1o5p s LYS 20 CO 0.13 -0.73 0.12 0.54 -0.36 0.00 0.00 175.35 175.05 1o5p s VAL 21 N 1.44 5.32 0.12 4.02 0.11 -0.84 -1.25 120.40 129.32 1o5p s VAL 21 Ca 0.00 0.14 0.03 0.00 -2.93 0.00 0.00 61.98 59.22 1o5p s VAL 21 Cb -0.20 -3.32 -0.04 0.00 -1.53 0.00 0.00 36.38 31.29 1o5p s VAL 21 CO 0.03 0.60 -0.07 0.00 -3.33 0.00 0.00 175.10 172.34 1o5p s ALA 22 N -0.89 1.16 0.02 1.54 0.00 0.63 -1.54 121.76 122.69 1o5p s ALA 22 Ca 0.14 -1.42 0.04 0.00 0.00 0.00 0.00 51.96 50.72 1o5p s ALA 22 Cb -0.12 0.17 -0.02 0.00 0.00 0.00 0.00 23.12 23.15 1o5p s ALA 22 CO 0.03 -0.20 -0.13 0.20 0.00 0.00 0.00 175.76 175.66 1o5p s GLY 23 N -3.09 0.69 -0.11 0.00 0.00 0.29 -0.85 107.32 104.24 1o5p s GLY 23 Ca 0.15 -0.70 -0.05 0.00 0.00 0.00 0.00 44.72 44.11 1o5p s GLY 23 CO -0.02 -0.66 0.25 0.00 0.00 0.00 0.00 173.10 172.66 1o5p s ALA 24 N -0.68 -0.53 0.00 3.20 0.00 -0.04 0.07 121.76 123.77 1o5p s ALA 24 Ca 0.02 0.93 0.00 0.00 0.00 0.00 0.00 51.96 52.91 1o5p s ALA 24 Cb -0.07 -0.83 0.00 0.00 0.00 0.00 0.00 23.12 22.22 1o5p s ALA 24 CO 0.01 -0.44 0.00 0.41 0.00 0.00 0.00 175.76 175.74 1o5p n GLY 25 N 4.85 1.02 3.95 0.00 0.00 -1.08 0.97 105.19 114.90 1o5p n GLY 25 Ca -0.15 -0.47 -0.24 0.00 0.00 0.00 0.00 46.02 45.16 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 3.03 -0.84 0.99 1.43 -0.80 -1.42 118.68 121.07 1o5p s LEU 26 Ca 0.00 0.19 -0.30 0.00 -1.03 0.00 0.00 54.13 52.99 1o5p s LEU 26 Cb 0.00 -2.92 -0.18 0.00 0.03 0.00 0.00 46.19 43.12 1o5p s LEU 26 CO 0.00 -1.43 2.60 0.00 0.23 0.00 0.00 176.35 177.75 1o5p n GLN 27 N -2.67 0.28 -1.30 1.70 3.00 -1.26 -3.96 117.38 113.17 1o5p n GLN 27 Ca 0.09 0.01 -0.17 0.00 -0.01 0.00 0.00 57.00 56.91 1o5p n GLN 27 Cb 0.60 -2.00 -0.10 0.00 0.00 0.00 0.00 30.24 28.75 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 11.67 0.33 0.00 -1.58 0.00 -1.24 -1.19 120.51 128.49 1o5p n ALA 28 Ca 0.58 -2.09 0.00 0.00 0.00 0.00 0.00 53.44 51.93 1o5p n ALA 28 Cb 0.16 -2.93 0.00 0.00 0.00 0.00 0.00 19.45 16.68 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 5.64 0.41 2.60 0.00 0.00 0.96 -4.83 105.19 109.97 1o5p n GLY 29 Ca 0.35 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.10 1o5p n GLY 29 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1o5p s THR 30 N -0.52 0.01 -0.26 2.61 -4.23 -0.34 -4.87 115.64 108.05 1o5p s THR 30 Ca 0.00 -0.47 -0.35 0.00 -1.18 0.00 0.00 61.69 59.69 1o5p s THR 30 Cb 0.00 -0.81 -0.12 0.00 1.34 0.00 0.00 72.50 72.92 1o5p s THR 30 CO 0.00 -0.46 2.04 0.00 -0.54 0.00 0.00 174.62 175.67 1o5p n ALA 31 N 5.23 0.89 -2.70 3.99 0.00 -1.26 -2.71 120.51 123.94 1o5p n ALA 31 Ca -0.07 0.08 -0.23 0.00 0.00 0.00 0.00 53.44 53.23 1o5p n ALA 31 Cb 0.46 -2.52 -0.06 0.00 0.00 0.00 0.00 19.45 17.33 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 5.98 2.83 0.39 0.00 1.51 0.11 -4.37 117.35 123.80 1o5p s TYR 32 Ca 1.03 -0.19 0.07 0.00 -1.01 0.00 0.00 57.07 56.98 1o5p s TYR 32 Cb -0.81 -1.27 0.00 0.00 -0.11 0.00 0.00 41.96 39.78 1o5p s TYR 32 CO 0.51 0.59 0.52 0.34 -1.11 0.00 0.00 175.55 176.40 1o5p s ASP 33 N -3.73 5.71 -0.19 2.29 2.15 0.71 -1.49 116.67 122.12 1o5p s ASP 33 Ca 0.32 -0.37 -0.05 0.00 0.43 0.00 0.00 52.55 52.88 1o5p s ASP 33 Cb -0.07 -0.85 0.09 0.00 -0.30 0.00 0.00 42.92 41.80 1o5p s ASP 33 CO 0.22 -0.63 0.36 0.54 -0.17 0.00 0.00 175.17 175.48 1o5p s VAL 34 N -2.30 -0.57 0.09 1.11 0.11 -0.71 -1.16 120.40 116.97 1o5p s VAL 34 Ca 0.51 0.13 -0.14 0.00 -2.93 0.00 0.00 61.98 59.55 1o5p s VAL 34 Cb -0.09 -0.65 0.05 0.00 -1.53 0.00 0.00 36.38 34.16 1o5p s VAL 34 CO 0.32 0.02 0.64 0.61 -3.33 0.00 0.00 175.10 173.37 1o5p n GLY 35 N 5.37 0.80 3.44 6.54 0.00 -0.90 -0.29 105.19 120.16 1o5p n GLY 35 Ca -0.07 -1.04 -0.43 0.00 0.00 0.00 0.00 46.02 44.48 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 -2.03 3.00 0.05 1.61 -2.07 -1.26 -2.54 119.66 116.42 1o5p s GLN 36 Ca 0.14 -1.08 0.04 0.00 -1.82 0.00 0.00 55.36 52.65 1o5p s GLN 36 Cb -0.02 -4.03 -0.02 0.00 -1.09 0.00 0.00 33.01 27.85 1o5p s GLN 36 CO 0.03 -0.86 -0.12 0.00 -1.32 0.00 0.00 175.29 173.01 1o5p s ALA 38 N -1.14 1.60 -0.35 0.00 0.00 -0.86 -1.94 121.76 119.07 1o5p s ALA 38 Ca -0.03 -0.84 -0.17 0.00 0.00 0.00 0.00 51.96 50.92 1o5p s ALA 38 Cb -0.09 -0.40 -0.01 0.00 0.00 0.00 0.00 23.12 22.62 1o5p s ALA 38 CO 0.01 0.39 0.45 -1.58 0.00 0.00 0.00 175.76 175.04 1o5p s TRP 39 N -0.47 3.19 -0.97 0.00 0.51 -1.26 -1.90 118.94 118.04 1o5p s TRP 39 Ca 0.07 0.07 0.17 0.00 -2.12 0.00 0.00 56.10 54.29 1o5p s TRP 39 Cb -0.07 -2.83 0.61 0.00 -0.81 0.00 0.00 33.47 30.37 1o5p s TRP 39 CO -0.01 -0.51 1.52 1.33 -0.51 0.00 0.00 176.95 178.78 1o5p n VAL 40 N 5.36 1.72 -1.54 4.03 0.24 -0.90 -4.78 118.33 122.45 1o5p n VAL 40 Ca -0.07 -1.26 0.00 0.00 -2.04 0.00 0.00 64.34 60.97 1o5p n VAL 40 Cb 0.49 0.15 0.00 0.00 -1.47 0.00 0.00 33.84 33.01 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 0.77 0.00 -4.55 -1.34 9.92 -1.26 -4.96 116.55 115.13 1o5p n ASP 41 Ca 0.22 0.00 -0.38 0.00 -0.53 0.00 0.00 54.79 54.10 1o5p n ASP 41 Cb 0.79 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 41.24 1o5p n ASP 41 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 1o5p s THR 42 N -2.47 3.50 0.00 -3.53 2.01 -1.26 -2.94 115.64 110.95 1o5p s THR 42 Ca 0.00 0.15 0.00 0.00 0.31 0.00 0.00 61.69 62.15 1o5p s THR 42 Cb 0.00 -4.29 0.00 0.00 0.01 0.00 0.00 72.50 68.22 1o5p s THR 42 CO 0.00 -1.24 0.00 0.61 -0.69 0.00 0.00 174.62 173.30 1o5p n GLY 43 N 5.79 0.78 3.09 4.40 0.00 -1.26 -5.05 105.19 112.94 1o5p n GLY 43 Ca 0.18 -0.66 -0.33 0.00 0.00 0.00 0.00 46.02 45.21 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 2.51 -0.32 1.61 1.01 -1.15 -4.98 120.40 117.08 1o5p s VAL 44 Ca 0.00 -1.81 0.01 0.00 0.00 0.00 0.00 61.98 60.18 1o5p s VAL 44 Cb 0.00 -2.59 0.08 0.00 0.00 0.00 0.00 36.38 33.87 1o5p s VAL 44 CO 0.00 -0.27 0.03 -0.22 0.00 0.00 0.00 175.10 174.64 1o5p s LEU 45 N 1.09 4.33 -0.42 3.92 2.96 -1.26 -2.11 118.68 127.18 1o5p s LEU 45 Ca -0.01 -1.75 -0.16 0.00 -0.22 0.00 0.00 54.13 51.98 1o5p s LEU 45 Cb -0.20 -1.66 0.03 0.00 0.50 0.00 0.00 46.19 44.85 1o5p s LEU 45 CO -0.05 -0.34 0.39 0.00 -1.32 0.00 0.00 176.35 175.04 1o5p s ALA 46 N 1.07 3.45 0.37 5.97 0.00 -0.80 -3.46 121.76 128.36 1o5p s ALA 46 Ca 0.02 -1.64 0.08 0.00 0.00 0.00 0.00 51.96 50.42 1o5p s ALA 46 Cb -0.20 -3.01 -0.03 0.00 0.00 0.00 0.00 23.12 19.88 1o5p s ALA 46 CO -0.05 -1.57 0.29 0.00 0.00 0.00 0.00 175.76 174.43 1o5p s ASN 48 N -4.01 5.14 0.00 0.00 3.84 -0.89 -1.02 114.94 118.00 1o5p s ASN 48 Ca 0.43 0.08 0.00 0.00 0.21 0.00 0.00 52.86 53.57 1o5p s ASN 48 Cb -0.04 -1.55 0.00 0.00 -0.55 0.00 0.00 41.25 39.11 1o5p s ASN 48 CO 0.26 0.32 0.55 -0.81 -2.79 0.00 0.00 177.10 174.63 1o5p n PRO 49 N 2.51 0.76 0.00 0.43 -0.04 -1.26 -3.07 135.00 134.33 1o5p n PRO 49 Ca -0.18 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.28 1o5p n PRO 49 Cb 0.53 -1.26 0.00 0.00 -0.04 0.00 0.00 33.50 32.73 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 0.35 2.27 -1.90 0.55 0.00 -1.26 -4.56 120.51 115.96 1o5p n ALA 50 Ca 0.00 -0.70 0.01 0.00 0.00 0.00 0.00 53.44 52.75 1o5p n ALA 50 Cb 0.27 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.74 1o5p n ALA 50 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1o5p n ASP 51 N -0.20 0.25 -4.52 0.00 5.75 -1.18 -2.30 116.55 114.36 1o5p n ASP 51 Ca 0.00 -2.11 -0.42 0.00 -0.01 0.00 0.00 54.79 52.24 1o5p n ASP 51 Cb 0.11 -0.22 -0.02 0.00 -1.03 0.00 0.00 41.12 39.95 1o5p n ASP 51 CO 0.00 0.00 0.00 -0.36 -0.11 0.00 0.00 177.20 176.73 1o5p s PHE 52 N -0.31 2.85 0.00 2.11 0.08 -1.25 -2.97 117.98 118.49 1o5p s PHE 52 Ca 0.03 -1.25 0.00 0.00 0.12 0.00 0.00 56.93 55.83 1o5p s PHE 52 Cb 0.03 -4.53 0.00 0.00 -0.57 0.00 0.00 43.02 37.95 1o5p s PHE 52 CO 0.00 -1.72 0.00 0.43 -0.10 0.00 0.00 175.22 173.83 1o5p n SER 53 N 7.73 0.79 0.00 1.36 7.64 0.60 -4.91 113.62 126.82 1o5p n SER 53 Ca 0.32 -0.83 0.00 0.00 1.01 0.00 0.00 58.87 59.38 1o5p n SER 53 Cb 0.49 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.69 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 -1.82 0.00 -3.70 6.43 2.88 -1.26 -1.74 113.62 114.40 1o5p n SER 54 Ca 0.00 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.43 1o5p n SER 54 Cb 0.00 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.40 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 -0.62 0.08 -0.06 2.46 0.11 -0.56 -4.95 120.40 116.87 1o5p s VAL 55 Ca 0.00 -0.66 -0.07 0.00 -2.93 0.00 0.00 61.98 58.32 1o5p s VAL 55 Cb 0.00 -1.10 -0.04 0.00 -1.53 0.00 0.00 36.38 33.71 1o5p s VAL 55 CO 0.00 -0.37 0.20 -0.89 -3.33 0.00 0.00 175.10 170.71 1o5p s THR 56 N -3.24 5.41 -0.32 5.04 2.01 -1.26 0.09 115.64 123.37 1o5p s THR 56 Ca -0.00 0.18 -0.28 0.00 0.31 0.00 0.00 61.69 61.90 1o5p s THR 56 Cb 0.01 -3.49 -0.04 0.00 0.01 0.00 0.00 72.50 68.99 1o5p s THR 56 CO -0.08 0.50 2.11 0.00 -0.69 0.00 0.00 174.62 176.47 1o5p s ALA 57 N -1.15 2.55 0.00 7.40 0.00 -1.10 -4.70 121.76 124.75 1o5p s ALA 57 Ca 0.21 0.43 0.00 0.00 0.00 0.00 0.00 51.96 52.60 1o5p s ALA 57 Cb -0.13 -4.12 0.00 0.00 0.00 0.00 0.00 23.12 18.87 1o5p s ALA 57 CO 0.10 -3.09 0.00 -3.47 0.00 0.00 0.00 175.76 169.30 1o5p n ASP 58 N 12.07 0.00 -0.09 0.00 2.03 -1.26 0.32 116.55 129.62 1o5p n ASP 58 Ca 0.28 0.00 -0.07 0.00 0.52 0.00 0.00 54.79 55.53 1o5p n ASP 58 Cb 0.47 0.00 -0.00 0.00 -0.72 0.00 0.00 41.12 40.87 1o5p n ASP 58 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1o5p h ALA 59 N -2.00 -0.03 0.00 -1.67 0.00 -1.92 -3.08 119.26 110.56 1o5p h ALA 59 Ca 0.00 0.11 -0.34 0.00 0.00 0.00 0.00 54.91 54.68 1o5p h ALA 59 Cb 0.00 0.52 -0.06 0.00 0.00 0.00 0.00 17.79 18.25 1o5p h ALA 59 CO 0.00 -0.63 -2.29 0.09 0.00 0.00 0.00 179.25 176.43 1o5p n ASN 60 N -5.38 0.98 0.00 0.00 4.13 -1.26 -4.53 115.26 109.20 1o5p n ASN 60 Ca 0.01 -0.04 0.00 0.00 1.68 0.00 0.00 54.58 56.23 1o5p n ASN 60 Cb 0.30 0.55 0.00 0.00 -1.54 0.00 0.00 39.78 39.08 1o5p n ASN 60 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1o5p n GLY 61 N 2.02 0.70 3.73 7.41 0.00 -1.17 -1.90 105.19 115.98 1o5p n GLY 61 Ca -0.34 -0.80 -0.35 0.00 0.00 0.00 0.00 46.02 44.53 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 6.28 -0.19 1.61 1.04 -1.25 -2.51 113.70 117.50 1o5p s SER 62 Ca 0.00 0.32 -0.04 0.00 0.48 0.00 0.00 55.95 56.71 1o5p s SER 62 Cb 0.00 -2.12 0.06 0.00 0.10 0.00 0.00 66.02 64.06 1o5p s SER 62 CO 0.00 0.15 0.07 0.00 0.98 0.00 0.00 173.24 174.44 1o5p s ALA 63 N 0.41 0.73 -0.17 5.32 0.00 0.11 -4.56 121.76 123.61 1o5p s ALA 63 Ca 0.11 -0.59 0.01 0.00 0.00 0.00 0.00 51.96 51.49 1o5p s ALA 63 Cb -0.12 -1.15 0.02 0.00 0.00 0.00 0.00 23.12 21.88 1o5p s ALA 63 CO 0.00 -1.23 -0.16 -1.12 0.00 0.00 0.00 175.76 173.25 1o5p s SER 64 N 1.99 3.00 -0.04 0.00 0.01 -1.26 0.11 113.70 117.51 1o5p s SER 64 Ca 0.01 -0.62 -0.06 0.00 1.31 0.00 0.00 55.95 56.59 1o5p s SER 64 Cb -0.17 -1.33 0.01 0.00 0.21 0.00 0.00 66.02 64.75 1o5p s SER 64 CO -0.11 -0.04 0.16 0.28 0.41 0.00 0.00 173.24 173.93 1o5p s THR 65 N 1.38 0.03 -0.12 1.44 -1.32 -0.59 -4.99 115.64 111.47 1o5p s THR 65 Ca 0.04 -0.21 -0.09 0.00 -1.21 0.00 0.00 61.69 60.22 1o5p s THR 65 Cb -0.13 -0.30 -0.04 0.00 -1.51 0.00 0.00 72.50 70.51 1o5p s THR 65 CO -0.11 -0.11 0.19 -0.94 -2.21 0.00 0.00 174.62 171.43 1o5p s SER 66 N -0.35 6.43 0.05 8.08 1.04 -1.26 -1.98 113.70 125.70 1o5p s SER 66 Ca -0.04 0.51 -0.02 0.00 0.48 0.00 0.00 55.95 56.88 1o5p s SER 66 Cb -0.03 -2.11 -0.03 0.00 0.10 0.00 0.00 66.02 63.95 1o5p s SER 66 CO 0.01 0.35 -0.00 -1.48 0.98 0.00 0.00 173.24 173.09 1o5p s LEU 67 N -0.76 2.35 0.08 2.42 0.05 -0.08 -4.93 118.68 117.81 1o5p s LEU 67 Ca 0.15 -0.93 -0.21 0.00 0.05 0.00 0.00 54.13 53.20 1o5p s LEU 67 Cb -0.13 0.29 -0.07 0.00 -2.05 0.00 0.00 46.19 44.24 1o5p s LEU 67 CO 0.05 -0.60 0.63 0.28 -0.55 0.00 0.00 176.35 176.15 1o5p s THR 68 N -3.77 4.68 -0.07 5.48 -1.32 -0.97 0.14 115.64 119.81 1o5p s THR 68 Ca 0.05 1.34 -0.12 0.00 -1.21 0.00 0.00 61.69 61.76 1o5p s THR 68 Cb 0.07 -3.96 0.03 0.00 -1.51 0.00 0.00 72.50 67.12 1o5p s THR 68 CO -0.10 0.52 0.30 0.68 -2.21 0.00 0.00 174.62 173.82 1o5p s VAL 69 N -0.96 0.03 0.14 5.08 -7.23 -0.98 -3.88 120.40 112.60 1o5p s VAL 69 Ca 0.31 -0.22 -0.02 0.00 -1.81 0.00 0.00 61.98 60.24 1o5p s VAL 69 Cb -0.20 -0.50 0.01 0.00 0.56 0.00 0.00 36.38 36.24 1o5p s VAL 69 CO 0.21 -0.12 0.21 -2.11 -0.31 0.00 0.00 175.10 172.97 1o5p n ARG 70 N 2.21 0.30 0.00 4.82 1.85 -1.26 -4.20 116.66 120.38 1o5p n ARG 70 Ca -0.17 -1.03 0.00 0.00 -1.00 0.00 0.00 57.85 55.65 1o5p n ARG 70 Cb 0.57 1.04 0.00 0.00 -1.05 0.00 0.00 32.46 33.02 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 -0.22 0.00 -1.77 2.89 1.85 -1.26 -4.54 116.66 113.61 1o5p n ARG 71 Ca -0.00 0.00 -0.41 0.00 -1.00 0.00 0.00 57.85 56.43 1o5p n ARG 71 Cb 0.22 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.64 1o5p n ARG 71 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 1o5p n SER 72 N 0.00 3.67 -3.65 2.89 7.64 -1.26 -1.53 113.62 121.38 1o5p n SER 72 Ca 0.00 1.22 -0.13 0.00 1.01 0.00 0.00 58.87 60.97 1o5p n SER 72 Cb 0.00 -1.61 -0.08 0.00 -1.01 0.00 0.00 64.21 61.51 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 -1.12 -0.76 -0.36 1.43 -0.71 -0.70 -4.82 117.98 110.95 1o5p s PHE 73 Ca 0.54 1.79 -0.35 0.00 -1.04 0.00 0.00 56.93 57.87 1o5p s PHE 73 Cb -0.48 0.29 -0.15 0.00 -1.21 0.00 0.00 43.02 41.47 1o5p s PHE 73 CO 0.63 -0.37 1.18 0.39 -1.34 0.00 0.00 175.22 175.71 1o5p n GLU 74 N 2.93 0.00 -1.34 1.99 -0.58 -1.26 -1.47 120.64 120.91 1o5p n GLU 74 Ca -0.15 0.00 -0.24 0.00 -0.42 0.00 0.00 57.16 56.35 1o5p n GLU 74 Cb 0.56 -1.12 -0.04 0.00 -0.57 0.00 0.00 31.44 30.27 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 2.91 4.24 3.17 0.62 0.00 -0.33 -3.00 105.19 112.81 1o5p n GLY 75 Ca 0.23 -1.70 -0.58 0.00 0.00 0.00 0.00 46.02 43.97 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 0.84 1.27 -3.02 1.61 3.01 -0.19 -2.21 117.46 118.78 1o5p n PHE 76 Ca 0.45 0.84 -0.40 0.00 1.01 0.00 0.00 57.45 59.35 1o5p n PHE 76 Cb 0.58 -2.09 -0.05 0.00 -0.01 0.00 0.00 39.48 37.90 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 4.53 4.23 -0.29 4.37 2.96 -0.72 -2.01 118.68 131.75 1o5p s LEU 77 Ca 1.06 1.08 -0.02 0.00 -0.22 0.00 0.00 54.13 56.03 1o5p s LEU 77 Cb -1.39 -3.07 -0.02 0.00 0.50 0.00 0.00 46.19 42.21 1o5p s LEU 77 CO 0.66 -0.24 1.38 0.33 -1.32 0.00 0.00 176.35 177.16 1o5p n PHE 78 N 4.57 0.43 -1.99 5.38 7.35 -1.22 -2.90 117.46 129.07 1o5p n PHE 78 Ca 0.00 -0.94 0.00 0.00 -0.76 0.00 0.00 57.45 55.76 1o5p n PHE 78 Cb 0.50 -0.95 0.00 0.00 0.35 0.00 0.00 39.48 39.38 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 4.42 0.00 0.00 -2.13 -0.08 -1.26 -4.98 116.55 112.52 1o5p n ASP 79 Ca 0.16 -1.06 0.00 0.00 -1.51 0.00 0.00 54.79 52.38 1o5p n ASP 79 Cb 0.07 -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 2.83 3.97 0.27 0.00 -1.14 -4.99 105.19 106.13 1o5p n GLY 80 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.17 4.36 -0.11 2.61 -4.23 -1.26 -4.97 115.64 110.86 1o5p s THR 81 Ca 0.00 -0.83 -0.03 0.00 -1.18 0.00 0.00 61.69 59.65 1o5p s THR 81 Cb 0.00 -3.55 -0.03 0.00 1.34 0.00 0.00 72.50 70.26 1o5p s THR 81 CO 0.00 -0.27 0.01 0.00 -0.54 0.00 0.00 174.62 173.83 1o5p s ARG 82 N -4.25 3.28 0.36 3.99 1.70 -1.26 -1.75 118.95 121.03 1o5p s ARG 82 Ca 0.43 -0.39 0.23 0.00 -0.47 0.00 0.00 55.73 55.53 1o5p s ARG 82 Cb -0.10 -2.91 0.28 0.00 -0.57 0.00 0.00 34.95 31.66 1o5p s ARG 82 CO 0.33 0.57 1.48 2.35 -1.08 0.00 0.00 175.30 178.94 1o5p h TRP 83 N 5.63 0.00 0.00 5.89 7.01 -1.77 -3.45 115.95 129.27 1o5p h TRP 83 Ca -0.46 0.00 0.00 0.00 2.11 0.00 0.00 58.89 60.54 1o5p h TRP 83 Cb 1.19 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 28.25 1o5p h TRP 83 CO 0.61 0.00 0.00 0.41 -2.79 0.00 0.00 178.44 176.67 1o5p n GLY 84 N 1.14 1.82 3.58 2.65 0.00 -1.26 -4.92 105.19 108.20 1o5p n GLY 84 Ca 0.03 -2.18 -0.41 0.00 0.00 0.00 0.00 46.02 43.46 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 -1.66 3.26 -0.50 2.61 -4.23 -1.26 -1.19 115.64 112.67 1o5p s THR 85 Ca 0.00 0.23 -0.28 0.00 -1.18 0.00 0.00 61.69 60.46 1o5p s THR 85 Cb 0.00 -3.44 0.02 0.00 1.34 0.00 0.00 72.50 70.41 1o5p s THR 85 CO 0.00 -0.35 1.37 -0.69 -0.54 0.00 0.00 174.62 174.41 1o5p s VAL 86 N 8.64 3.89 -0.22 2.29 1.01 -0.54 -4.67 120.40 130.80 1o5p s VAL 86 Ca 0.85 0.83 -0.29 0.00 0.00 0.00 0.00 61.98 63.38 1o5p s VAL 86 Cb -0.22 -4.40 -0.04 0.00 0.00 0.00 0.00 36.38 31.72 1o5p s VAL 86 CO 0.30 -1.03 1.97 -1.81 0.00 0.00 0.00 175.10 174.54 1o5p s ASP 87 N 3.96 5.85 0.00 3.32 1.01 -1.26 -1.71 116.67 127.83 1o5p s ASP 87 Ca 0.54 1.77 0.08 0.00 0.71 0.00 0.00 52.55 55.66 1o5p s ASP 87 Cb -0.11 -2.52 0.43 0.00 1.01 0.00 0.00 42.92 41.73 1o5p s ASP 87 CO 0.28 -1.67 1.10 0.00 0.21 0.00 0.00 175.17 175.10 1o5p n THR 89 N -1.23 0.13 -0.04 0.00 -2.24 -1.26 -4.34 114.28 105.30 1o5p n THR 89 Ca 0.04 -0.40 -0.09 0.00 -2.27 0.00 0.00 64.05 61.34 1o5p n THR 89 Cb 0.06 0.73 -0.03 0.00 -2.10 0.00 0.00 70.33 68.99 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 0.64 0.79 -2.95 4.28 -2.24 -0.39 -5.05 114.28 109.35 1o5p n THR 90 Ca 0.17 -0.02 -0.20 0.00 -2.27 0.00 0.00 64.05 61.73 1o5p n THR 90 Cb 0.43 -1.71 0.07 0.00 -2.10 0.00 0.00 70.33 67.03 1o5p n THR 90 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1o5p s ALA 91 N -2.23 4.53 -0.34 6.98 0.00 -1.18 -5.07 121.76 124.44 1o5p s ALA 91 Ca -0.14 -2.09 -0.12 0.00 0.00 0.00 0.00 51.96 49.62 1o5p s ALA 91 Cb 0.04 -1.55 -0.00 0.00 0.00 0.00 0.00 23.12 21.61 1o5p s ALA 91 CO 0.18 -1.00 0.21 0.00 0.00 0.00 0.00 175.76 175.15 1o5p s ALA 92 N -2.77 3.39 -0.25 0.00 0.00 -1.26 -4.77 121.76 116.10 1o5p s ALA 92 Ca 0.63 -1.48 -0.14 0.00 0.00 0.00 0.00 51.96 50.97 1o5p s ALA 92 Cb -0.05 -2.59 -0.04 0.00 0.00 0.00 0.00 23.12 20.43 1o5p s ALA 92 CO 0.40 -1.07 0.33 0.00 0.00 0.00 0.00 175.76 175.42 1o5p s GLN 94 N 1.74 2.93 -0.40 0.00 -0.21 -0.82 -2.44 119.66 120.46 1o5p s GLN 94 Ca 0.14 -0.53 -0.13 0.00 0.02 0.00 0.00 55.36 54.86 1o5p s GLN 94 Cb -0.15 -2.77 0.03 0.00 1.00 0.00 0.00 33.01 31.11 1o5p s GLN 94 CO 0.09 0.65 0.27 0.08 -2.12 0.00 0.00 175.29 174.26 1o5p s VAL 95 N -1.10 4.97 0.07 1.09 1.01 0.13 -2.33 120.40 124.24 1o5p s VAL 95 Ca 0.20 -0.79 -0.00 0.00 0.00 0.00 0.00 61.98 61.39 1o5p s VAL 95 Cb -0.12 -3.79 0.00 0.00 0.00 0.00 0.00 36.38 32.47 1o5p s VAL 95 CO 0.10 -0.31 0.10 0.61 0.00 0.00 0.00 175.10 175.61 1o5p n GLY 96 N 5.09 2.98 3.88 4.51 0.00 -1.05 0.32 105.19 120.92 1o5p n GLY 96 Ca -0.11 -1.45 -0.28 0.00 0.00 0.00 0.00 46.02 44.18 1o5p n GLY 96 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1o5p s LEU 97 N 0.00 2.59 0.03 0.99 1.02 -1.23 -2.11 118.68 119.98 1o5p s LEU 97 Ca 0.06 -1.35 -0.28 0.00 0.02 0.00 0.00 54.13 52.58 1o5p s LEU 97 Cb -0.00 -1.08 0.09 0.00 0.02 0.00 0.00 46.19 45.23 1o5p s LEU 97 CO 0.04 -1.07 1.03 -0.94 0.02 0.00 0.00 176.35 175.44 1o5p s SER 98 N -4.20 -0.20 0.00 2.29 1.04 -0.31 -4.29 113.70 108.03 1o5p s SER 98 Ca 0.27 -0.19 0.00 0.00 0.48 0.00 0.00 55.95 56.51 1o5p s SER 98 Cb -0.02 0.35 0.00 0.00 0.10 0.00 0.00 66.02 66.46 1o5p s SER 98 CO 0.17 -0.63 0.00 -0.90 0.98 0.00 0.00 173.24 172.86 1o5p n ASP 99 N -0.37 1.52 -1.56 7.02 5.75 -1.23 0.26 116.55 127.94 1o5p n ASP 99 Ca -0.07 -0.01 -0.14 0.00 -0.01 0.00 0.00 54.79 54.56 1o5p n ASP 99 Cb 0.61 0.00 0.10 0.00 -1.03 0.00 0.00 41.12 40.81 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 4.70 -0.02 2.12 0.00 -1.26 -4.62 120.51 118.43 1o5p n ALA 100 Ca 0.00 -3.53 -0.02 0.00 0.00 0.00 0.00 53.44 49.89 1o5p n ALA 100 Cb 0.00 -0.54 -0.03 0.00 0.00 0.00 0.00 19.45 18.88 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 -0.91 1.91 0.00 0.00 0.00 -1.26 -5.02 120.51 115.24 1o5p n ALA 101 Ca 0.38 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1o5p n ALA 101 Cb 0.89 0.25 0.00 0.00 0.00 0.00 0.00 19.45 20.58 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 2.94 1.12 3.10 0.00 0.00 -1.26 -5.14 105.19 105.96 1o5p n GLY 102 Ca -0.06 -0.08 -0.08 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.84 -0.19 1.61 5.03 -1.26 -4.98 115.26 113.63 1o5p n ASN 103 Ca 0.00 -2.36 0.00 0.00 0.87 0.00 0.00 54.58 53.09 1o5p n ASN 103 Cb 0.00 3.08 0.00 0.00 -1.02 0.00 0.00 39.78 41.84 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 -0.45 2.34 2.96 7.41 0.00 -1.26 -3.52 105.19 112.67 1o5p n GLY 104 Ca -0.07 -0.77 -0.15 0.00 0.00 0.00 0.00 46.02 45.03 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 -1.66 -1.44 1.61 -0.02 -1.26 -4.90 135.00 127.33 1o5p n PRO 105 Ca 0.00 -0.49 -0.11 0.00 -2.02 0.00 0.00 63.50 60.88 1o5p n PRO 105 Cb 0.00 -1.35 0.06 0.00 -0.02 0.00 0.00 33.50 32.19 1o5p n PRO 105 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 1o5p n GLU 106 N -0.75 0.22 -4.51 -0.52 0.28 -1.26 -4.59 120.64 109.50 1o5p n GLU 106 Ca 0.04 -1.19 -0.24 0.00 -0.16 0.00 0.00 57.16 55.60 1o5p n GLU 106 Cb 0.30 -0.32 -0.11 0.00 1.43 0.00 0.00 31.44 32.74 1o5p n GLU 106 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 1o5p s GLY 107 N -3.66 2.13 -0.19 -1.84 0.00 -1.26 -3.54 107.32 98.96 1o5p s GLY 107 Ca 0.30 -2.08 -0.09 0.00 0.00 0.00 0.00 44.72 42.85 1o5p s GLY 107 CO 0.20 -1.96 0.10 0.14 0.00 0.00 0.00 173.10 171.58 1o5p s VAL 108 N -2.86 5.13 -0.05 1.40 1.01 0.15 -4.72 120.40 120.45 1o5p s VAL 108 Ca 0.33 0.09 -0.30 0.00 0.00 0.00 0.00 61.98 62.10 1o5p s VAL 108 Cb 0.06 -3.33 -0.04 0.00 0.00 0.00 0.00 36.38 33.07 1o5p s VAL 108 CO 0.15 0.45 1.23 0.00 0.00 0.00 0.00 175.10 176.94 1o5p s ALA 109 N 0.34 3.51 0.46 5.51 0.00 -1.26 0.20 121.76 130.52 1o5p s ALA 109 Ca 0.06 0.66 0.06 0.00 0.00 0.00 0.00 51.96 52.73 1o5p s ALA 109 Cb -0.12 -3.53 0.02 0.00 0.00 0.00 0.00 23.12 19.49 1o5p s ALA 109 CO -0.01 -0.79 0.64 0.96 0.00 0.00 0.00 175.76 176.55 1o5p s ILE 110 N 2.27 2.90 0.06 0.00 -4.36 -1.02 -4.83 121.20 116.21 1o5p s ILE 110 Ca 0.57 -0.89 0.01 0.00 -0.26 0.00 0.00 60.65 60.08 1o5p s ILE 110 Cb -0.26 -3.00 -0.03 0.00 1.25 0.00 0.00 42.46 40.42 1o5p s ILE 110 CO 0.22 -0.00 -0.05 -0.44 0.24 0.00 0.00 174.94 174.91 1o5p s SER 111 N -4.37 0.71 -0.59 4.36 0.01 0.18 -4.77 113.70 109.23 1o5p s SER 111 Ca 0.56 -0.80 0.06 0.00 1.31 0.00 0.00 55.95 57.08 1o5p s SER 111 Cb -0.10 0.11 0.26 0.00 0.21 0.00 0.00 66.02 66.50 1o5p s SER 111 CO 0.35 -0.41 0.73 0.49 0.41 0.00 0.00 173.24 174.80 1o5p n PHE 112 N 0.66 3.00 0.00 2.43 3.01 -1.26 -2.82 117.46 122.47 1o5p n PHE 112 Ca -0.17 -4.04 0.00 0.00 1.01 0.00 0.00 57.45 54.24 1o5p n PHE 112 Cb 0.58 -0.52 0.00 0.00 -0.01 0.00 0.00 39.48 39.54 1o5p n PHE 112 CO 0.00 0.00 0.00 0.27 1.01 0.00 0.00 176.76 178.04