#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 2.07 0.81 0.00 0.00 -1.26 -5.07 121.76 118.31 1o5p s ALA 2 Ca 0.00 -1.18 -0.13 0.00 0.00 0.00 0.00 51.96 50.65 1o5p s ALA 2 Cb 0.00 -0.44 0.09 0.00 0.00 0.00 0.00 23.12 22.77 1o5p s ALA 2 CO 0.00 0.49 1.19 -2.14 0.00 0.00 0.00 175.76 175.30 1o5p s PRO 3 N -1.14 1.60 0.08 0.00 0.02 -0.20 -4.65 135.00 130.72 1o5p s PRO 3 Ca 0.10 1.71 -0.08 0.00 0.02 0.00 0.00 61.00 62.75 1o5p s PRO 3 Cb -0.10 -1.78 -0.00 0.00 0.02 0.00 0.00 34.50 32.65 1o5p s PRO 3 CO 0.02 -2.23 0.18 0.95 -0.33 0.00 0.00 177.00 175.59 1o5p s THR 4 N -2.23 0.14 -0.11 0.99 -4.23 1.09 -4.90 115.64 106.39 1o5p s THR 4 Ca 0.72 -1.17 -0.05 0.00 -1.18 0.00 0.00 61.69 60.01 1o5p s THR 4 Cb -0.27 -1.28 0.05 0.00 1.34 0.00 0.00 72.50 72.34 1o5p s THR 4 CO 0.51 -0.64 0.25 0.00 -0.54 0.00 0.00 174.62 174.20 1o5p s ALA 5 N -3.67 -0.54 -0.30 3.99 0.00 -1.26 0.24 121.76 120.22 1o5p s ALA 5 Ca 0.04 0.95 -0.00 0.00 0.00 0.00 0.00 51.96 52.94 1o5p s ALA 5 Cb 0.04 -0.80 0.06 0.00 0.00 0.00 0.00 23.12 22.42 1o5p s ALA 5 CO -0.10 -0.40 -0.02 -0.08 0.00 0.00 0.00 175.76 175.16 1o5p s THR 6 N 1.79 2.75 -0.05 0.00 -1.32 -0.35 -4.86 115.64 113.61 1o5p s THR 6 Ca -0.04 -1.53 0.05 0.00 -1.21 0.00 0.00 61.69 58.96 1o5p s THR 6 Cb -0.11 -2.63 -0.02 0.00 -1.51 0.00 0.00 72.50 68.23 1o5p s THR 6 CO -0.08 -0.14 -0.20 -0.69 -2.21 0.00 0.00 174.62 171.30 1o5p s VAL 7 N 1.19 2.58 -0.22 5.08 1.01 -1.26 -0.29 120.40 128.49 1o5p s VAL 7 Ca -0.05 -0.89 -0.30 0.00 0.00 0.00 0.00 61.98 60.74 1o5p s VAL 7 Cb -0.20 -1.98 0.16 0.00 0.00 0.00 0.00 36.38 34.36 1o5p s VAL 7 CO -0.03 0.58 1.19 -0.89 0.00 0.00 0.00 175.10 175.96 1o5p s THR 8 N -0.45 0.00 0.48 3.92 2.01 -0.36 -4.50 115.64 116.73 1o5p s THR 8 Ca 0.05 0.00 -0.20 0.00 0.31 0.00 0.00 61.69 61.86 1o5p s THR 8 Cb -0.12 -1.00 -0.09 0.00 0.01 0.00 0.00 72.50 71.30 1o5p s THR 8 CO 0.01 0.00 1.00 -2.16 -0.69 0.00 0.00 174.62 172.78 1o5p s PRO 9 N -1.20 3.94 0.08 4.92 0.05 -1.26 -0.38 135.00 141.15 1o5p s PRO 9 Ca 0.05 1.21 0.20 0.00 0.05 0.00 0.00 61.00 62.50 1o5p s PRO 9 Cb -0.01 -2.13 -0.13 0.00 0.05 0.00 0.00 34.50 32.28 1o5p s PRO 9 CO -0.04 -0.29 0.79 -1.13 0.05 0.00 0.00 177.00 176.38 1o5p n SER 10 N -1.00 0.65 -4.24 6.66 3.41 -1.26 -4.77 113.62 113.06 1o5p n SER 10 Ca 0.08 0.27 -0.14 0.00 -0.26 0.00 0.00 58.87 58.82 1o5p n SER 10 Cb 0.53 0.64 -0.10 0.00 -0.26 0.00 0.00 64.21 65.02 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 -5.40 1.70 -0.17 4.04 0.01 -1.26 0.48 113.70 113.11 1o5p s SER 11 Ca -0.03 -1.01 -0.01 0.00 1.31 0.00 0.00 55.95 56.21 1o5p s SER 11 Cb 0.10 0.00 0.00 0.00 0.21 0.00 0.00 66.02 66.33 1o5p s SER 11 CO 0.82 -0.35 0.10 0.61 0.41 0.00 0.00 173.24 174.84 1o5p n GLY 12 N -0.17 0.67 0.13 3.44 0.00 -1.17 -4.91 105.19 103.17 1o5p n GLY 12 Ca -0.11 -0.63 -0.22 0.00 0.00 0.00 0.00 46.02 45.07 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 -0.85 2.38 -0.98 0.99 4.77 -1.26 -5.06 117.00 116.98 1o5p n LEU 13 Ca -0.01 0.27 0.00 0.00 -0.03 0.00 0.00 56.01 56.24 1o5p n LEU 13 Cb 0.51 -1.05 0.00 0.00 -2.33 0.00 0.00 43.42 40.55 1o5p n LEU 13 CO 0.06 0.66 -0.29 -0.24 -1.33 0.00 0.00 177.39 176.25 1o5p n SER 14 N -3.81 -5.49 -4.47 -1.43 2.88 -1.26 -3.87 113.62 96.16 1o5p n SER 14 Ca -0.34 0.96 -0.46 0.00 -1.33 0.00 0.00 58.87 57.70 1o5p n SER 14 Cb 0.92 -2.69 -0.08 0.00 -0.75 0.00 0.00 64.21 61.61 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 -1.53 1.76 0.00 -3.46 5.75 -1.26 -1.98 116.55 115.82 1o5p n ASP 15 Ca 0.00 0.19 0.00 0.00 -0.01 0.00 0.00 54.79 54.97 1o5p n ASP 15 Cb 0.14 -1.25 0.00 0.00 -1.03 0.00 0.00 41.12 38.99 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 1.60 6.12 0.00 -1.26 -5.06 105.19 114.58 1o5p n GLY 16 Ca 0.46 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.38 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 -0.62 0.00 -4.53 2.61 5.66 -0.84 -4.97 114.28 111.60 1o5p n THR 17 Ca 0.00 -0.86 -0.21 0.00 -3.05 0.00 0.00 64.05 59.93 1o5p n THR 17 Cb 0.00 -0.51 -0.15 0.00 -1.55 0.00 0.00 70.33 68.12 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 -0.86 0.95 0.19 1.08 1.01 -1.26 -2.03 120.40 119.48 1o5p s VAL 18 Ca 0.18 -0.49 0.08 0.00 0.00 0.00 0.00 61.98 61.75 1o5p s VAL 18 Cb -0.01 -0.81 -0.04 0.00 0.00 0.00 0.00 36.38 35.52 1o5p s VAL 18 CO 0.11 0.28 -0.05 0.68 0.00 0.00 0.00 175.10 176.12 1o5p s VAL 19 N -0.14 3.40 -0.39 2.92 -7.23 0.18 -4.75 120.40 114.38 1o5p s VAL 19 Ca 0.02 -1.61 -0.12 0.00 -1.81 0.00 0.00 61.98 58.46 1o5p s VAL 19 Cb -0.06 -2.71 0.04 0.00 0.56 0.00 0.00 36.38 34.21 1o5p s VAL 19 CO -0.00 -0.14 0.24 -0.75 -0.31 0.00 0.00 175.10 174.14 1o5p s LYS 20 N -2.97 2.81 -0.11 4.82 2.20 0.49 -0.77 119.74 126.21 1o5p s LYS 20 Ca 0.27 -1.16 -0.06 0.00 -0.36 0.00 0.00 55.97 54.65 1o5p s LYS 20 Cb -0.09 -3.80 -0.04 0.00 -1.51 0.00 0.00 37.83 32.39 1o5p s LYS 20 CO 0.17 -0.78 0.11 0.54 -0.36 0.00 0.00 175.35 175.03 1o5p s VAL 21 N 1.55 5.25 0.12 4.02 0.11 -0.78 -1.23 120.40 129.44 1o5p s VAL 21 Ca 0.03 0.11 0.03 0.00 -2.93 0.00 0.00 61.98 59.21 1o5p s VAL 21 Cb -0.20 -3.27 -0.04 0.00 -1.53 0.00 0.00 36.38 31.33 1o5p s VAL 21 CO 0.06 0.61 -0.08 0.00 -3.33 0.00 0.00 175.10 172.36 1o5p s ALA 22 N -1.00 1.18 -0.19 1.54 0.00 0.60 -1.63 121.76 122.26 1o5p s ALA 22 Ca 0.15 -1.37 -0.05 0.00 0.00 0.00 0.00 51.96 50.69 1o5p s ALA 22 Cb -0.12 0.09 0.07 0.00 0.00 0.00 0.00 23.12 23.17 1o5p s ALA 22 CO 0.04 -0.15 0.12 0.20 0.00 0.00 0.00 175.76 175.97 1o5p s GLY 23 N -2.98 0.29 -0.03 0.00 0.00 0.18 -1.21 107.32 103.56 1o5p s GLY 23 Ca 0.12 -0.28 0.05 0.00 0.00 0.00 0.00 44.72 44.62 1o5p s GLY 23 CO -0.02 1.86 -0.19 0.00 0.00 0.00 0.00 173.10 174.75 1o5p s ALA 24 N 2.17 2.49 0.00 3.20 0.00 0.65 0.58 121.76 130.86 1o5p s ALA 24 Ca 0.04 -1.04 0.00 0.00 0.00 0.00 0.00 51.96 50.96 1o5p s ALA 24 Cb -0.16 -0.81 0.00 0.00 0.00 0.00 0.00 23.12 22.15 1o5p s ALA 24 CO -0.13 0.55 0.00 0.41 0.00 0.00 0.00 175.76 176.59 1o5p n GLY 25 N 2.30 0.73 3.97 0.00 0.00 -0.91 0.35 105.19 111.63 1o5p n GLY 25 Ca -0.17 -0.69 -0.21 0.00 0.00 0.00 0.00 46.02 44.95 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 3.26 -0.82 0.99 1.43 -0.85 -1.03 118.68 121.66 1o5p s LEU 26 Ca 0.00 0.01 -0.31 0.00 -1.03 0.00 0.00 54.13 52.79 1o5p s LEU 26 Cb 0.00 -2.88 -0.18 0.00 0.03 0.00 0.00 46.19 43.16 1o5p s LEU 26 CO 0.00 -1.15 2.57 0.00 0.23 0.00 0.00 176.35 178.00 1o5p n GLN 27 N -2.36 0.27 -1.30 1.70 3.00 -1.26 -4.01 117.38 113.42 1o5p n GLN 27 Ca 0.08 0.01 -0.17 0.00 -0.01 0.00 0.00 57.00 56.91 1o5p n GLN 27 Cb 0.60 -1.94 -0.10 0.00 0.00 0.00 0.00 30.24 28.79 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 11.33 0.33 0.00 -1.58 0.00 -1.24 -1.17 120.51 128.17 1o5p n ALA 28 Ca 0.58 -2.11 0.00 0.00 0.00 0.00 0.00 53.44 51.91 1o5p n ALA 28 Cb 0.14 -2.97 0.00 0.00 0.00 0.00 0.00 19.45 16.62 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 5.65 0.41 2.61 0.00 0.00 0.94 -4.83 105.19 109.98 1o5p n GLY 29 Ca 0.36 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 -0.51 0.06 -0.34 2.61 -4.23 -0.32 -4.87 115.64 108.03 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 -0.82 -0.11 0.00 1.34 0.00 0.00 72.50 72.91 1o5p s THR 30 CO 0.00 -0.43 2.19 0.00 -0.54 0.00 0.00 174.62 175.84 1o5p n ALA 31 N 5.21 1.12 -2.88 3.99 0.00 -1.26 -2.71 120.51 123.98 1o5p n ALA 31 Ca -0.07 -0.07 -0.25 0.00 0.00 0.00 0.00 53.44 53.05 1o5p n ALA 31 Cb 0.46 -2.57 -0.04 0.00 0.00 0.00 0.00 19.45 17.31 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 7.39 3.31 0.21 0.00 2.02 0.14 -4.63 117.35 125.80 1o5p s TYR 32 Ca 1.09 0.03 0.04 0.00 -0.37 0.00 0.00 57.07 57.87 1o5p s TYR 32 Cb -0.83 -1.57 -0.03 0.00 -0.40 0.00 0.00 41.96 39.12 1o5p s TYR 32 CO 0.48 0.51 0.32 0.34 -1.57 0.00 0.00 175.55 175.64 1o5p s ASP 33 N -3.30 6.26 -0.04 2.29 2.15 0.77 -1.63 116.67 123.18 1o5p s ASP 33 Ca 0.33 0.08 -0.02 0.00 0.43 0.00 0.00 52.55 53.37 1o5p s ASP 33 Cb -0.10 -1.84 0.03 0.00 -0.30 0.00 0.00 42.92 40.71 1o5p s ASP 33 CO 0.26 -0.03 0.06 0.54 -0.17 0.00 0.00 175.17 175.83 1o5p s VAL 34 N -1.91 -0.09 0.13 1.11 0.11 -0.88 -1.45 120.40 117.42 1o5p s VAL 34 Ca 0.34 0.42 -0.19 0.00 -2.93 0.00 0.00 61.98 59.62 1o5p s VAL 34 Cb -0.10 -0.16 0.07 0.00 -1.53 0.00 0.00 36.38 34.66 1o5p s VAL 34 CO 0.28 0.18 0.91 0.61 -3.33 0.00 0.00 175.10 173.75 1o5p n GLY 35 N 5.29 0.64 3.45 6.54 0.00 -0.93 -0.52 105.19 119.66 1o5p n GLY 35 Ca -0.03 -1.10 -0.43 0.00 0.00 0.00 0.00 46.02 44.46 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 -2.04 2.96 0.12 1.61 -2.07 -1.26 -2.64 119.66 116.35 1o5p s GLN 36 Ca 0.20 -1.04 0.07 0.00 -1.82 0.00 0.00 55.36 52.78 1o5p s GLN 36 Cb -0.02 -3.98 -0.04 0.00 -1.09 0.00 0.00 33.01 27.89 1o5p s GLN 36 CO 0.04 -0.76 -0.17 0.00 -1.32 0.00 0.00 175.29 173.08 1o5p s ALA 38 N -1.71 1.43 -0.35 0.00 0.00 -0.79 -1.23 121.76 119.12 1o5p s ALA 38 Ca 0.08 -0.65 -0.17 0.00 0.00 0.00 0.00 51.96 51.23 1o5p s ALA 38 Cb -0.07 -0.47 -0.00 0.00 0.00 0.00 0.00 23.12 22.57 1o5p s ALA 38 CO 0.04 0.26 0.46 -1.58 0.00 0.00 0.00 175.76 174.95 1o5p s TRP 39 N 0.03 3.19 -0.93 0.00 0.51 -1.26 -1.75 118.94 118.73 1o5p s TRP 39 Ca -0.03 0.08 0.16 0.00 -2.12 0.00 0.00 56.10 54.19 1o5p s TRP 39 Cb -0.11 -2.85 0.58 0.00 -0.81 0.00 0.00 33.47 30.29 1o5p s TRP 39 CO 0.02 -0.52 1.50 1.33 -0.51 0.00 0.00 176.95 178.77 1o5p n VAL 40 N 5.37 1.69 -1.82 4.03 0.24 -0.90 -4.74 118.33 122.20 1o5p n VAL 40 Ca -0.06 -1.28 0.00 0.00 -2.04 0.00 0.00 64.34 60.96 1o5p n VAL 40 Cb 0.49 0.16 0.00 0.00 -1.47 0.00 0.00 33.84 33.02 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 0.69 0.00 -4.55 -1.34 8.00 -1.26 -4.95 116.55 113.14 1o5p n ASP 41 Ca 0.22 0.00 -0.37 0.00 0.71 0.00 0.00 54.79 55.35 1o5p n ASP 41 Cb 0.77 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.84 1o5p n ASP 41 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1o5p s THR 42 N -2.55 3.45 0.00 -3.53 -4.23 -1.26 -2.87 115.64 104.65 1o5p s THR 42 Ca 0.00 0.08 0.00 0.00 -1.18 0.00 0.00 61.69 60.59 1o5p s THR 42 Cb 0.00 -4.14 0.00 0.00 1.34 0.00 0.00 72.50 69.70 1o5p s THR 42 CO 0.00 -1.10 0.00 0.61 -0.54 0.00 0.00 174.62 173.59 1o5p n GLY 43 N 5.93 0.78 3.11 3.99 0.00 -1.26 -5.05 105.19 112.69 1o5p n GLY 43 Ca 0.22 -0.67 -0.34 0.00 0.00 0.00 0.00 46.02 45.24 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 2.77 -0.32 1.61 1.01 -1.14 -4.98 120.40 117.35 1o5p s VAL 44 Ca 0.00 -1.75 0.00 0.00 0.00 0.00 0.00 61.98 60.24 1o5p s VAL 44 Cb 0.00 -2.74 0.07 0.00 0.00 0.00 0.00 36.38 33.71 1o5p s VAL 44 CO 0.00 -0.30 0.01 -0.22 0.00 0.00 0.00 175.10 174.59 1o5p s LEU 45 N 1.14 4.18 -0.43 3.92 2.96 -1.26 -2.11 118.68 127.07 1o5p s LEU 45 Ca -0.00 -1.60 -0.18 0.00 -0.22 0.00 0.00 54.13 52.12 1o5p s LEU 45 Cb -0.20 -1.67 0.02 0.00 0.50 0.00 0.00 46.19 44.84 1o5p s LEU 45 CO -0.04 -0.31 0.48 0.00 -1.32 0.00 0.00 176.35 175.16 1o5p s ALA 46 N 1.13 3.41 -0.01 5.97 0.00 -0.71 -3.45 121.76 128.08 1o5p s ALA 46 Ca -0.01 -1.47 -0.03 0.00 0.00 0.00 0.00 51.96 50.45 1o5p s ALA 46 Cb -0.20 -3.11 -0.04 0.00 0.00 0.00 0.00 23.12 19.76 1o5p s ALA 46 CO -0.04 -1.65 0.18 0.00 0.00 0.00 0.00 175.76 174.25 1o5p s ASN 48 N -1.90 6.24 0.00 0.00 2.47 -0.88 -1.07 114.94 119.80 1o5p s ASN 48 Ca 0.27 0.27 0.00 0.00 0.42 0.00 0.00 52.86 53.81 1o5p s ASN 48 Cb -0.13 -2.11 0.00 0.00 -1.45 0.00 0.00 41.25 37.56 1o5p s ASN 48 CO 0.18 0.14 0.37 -0.81 -3.72 0.00 0.00 177.10 173.27 1o5p n PRO 49 N 3.66 0.57 0.00 0.43 -0.05 -1.26 -3.03 135.00 135.32 1o5p n PRO 49 Ca -0.15 0.00 0.09 0.00 -0.05 0.00 0.00 63.50 63.39 1o5p n PRO 49 Cb 0.52 -1.26 -0.02 0.00 -0.05 0.00 0.00 33.50 32.68 1o5p n PRO 49 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 1o5p n ALA 50 N 0.37 3.55 -0.71 0.55 0.00 -1.26 -4.35 120.51 118.65 1o5p n ALA 50 Ca 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 53.44 52.87 1o5p n ALA 50 Cb 0.19 -0.65 0.00 0.00 0.00 0.00 0.00 19.45 18.98 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 -0.37 0.48 -4.57 0.00 9.92 -1.17 -3.01 116.55 117.84 1o5p n ASP 51 Ca 0.07 -1.19 -0.17 0.00 -0.53 0.00 0.00 54.79 52.97 1o5p n ASP 51 Cb 0.37 0.00 -0.09 0.00 -0.64 0.00 0.00 41.12 40.76 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 1.33 0.00 1.24 0.08 -1.25 -3.72 117.98 115.48 1o5p s PHE 52 Ca 0.00 1.85 0.00 0.00 0.12 0.00 0.00 56.93 58.90 1o5p s PHE 52 Cb 0.00 -3.50 0.00 0.00 -0.57 0.00 0.00 43.02 38.95 1o5p s PHE 52 CO 0.00 -1.10 0.00 0.43 -0.10 0.00 0.00 175.22 174.45 1o5p n SER 53 N 18.26 0.75 0.00 1.36 7.64 0.33 -4.92 113.62 137.03 1o5p n SER 53 Ca 0.43 -0.79 0.00 0.00 1.01 0.00 0.00 58.87 59.53 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 -1.77 0.00 -3.73 6.43 2.88 -1.26 -2.06 113.62 114.11 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 -0.07 0.00 -0.75 0.00 0.00 64.21 63.39 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 -0.57 0.08 -0.06 2.46 0.11 -0.64 -4.95 120.40 116.83 1o5p s VAL 55 Ca 0.00 -0.67 -0.07 0.00 -2.93 0.00 0.00 61.98 58.31 1o5p s VAL 55 Cb 0.00 -1.01 -0.04 0.00 -1.53 0.00 0.00 36.38 33.79 1o5p s VAL 55 CO 0.00 -0.37 0.21 -0.89 -3.33 0.00 0.00 175.10 170.72 1o5p s THR 56 N -2.85 5.40 -0.35 5.04 2.01 -1.26 0.25 115.64 123.88 1o5p s THR 56 Ca -0.03 0.21 -0.27 0.00 0.31 0.00 0.00 61.69 61.91 1o5p s THR 56 Cb 0.00 -3.49 -0.05 0.00 0.01 0.00 0.00 72.50 68.97 1o5p s THR 56 CO -0.05 0.51 2.17 0.00 -0.69 0.00 0.00 174.62 176.56 1o5p s ALA 57 N -1.14 2.39 0.00 7.40 0.00 -1.10 -4.71 121.76 124.60 1o5p s ALA 57 Ca 0.21 0.36 0.00 0.00 0.00 0.00 0.00 51.96 52.53 1o5p s ALA 57 Cb -0.13 -4.16 0.00 0.00 0.00 0.00 0.00 23.12 18.83 1o5p s ALA 57 CO 0.10 -3.33 0.00 -0.40 0.00 0.00 0.00 175.76 172.13 1o5p n ASP 58 N 12.75 0.00 -0.10 0.00 5.75 -1.26 0.32 116.55 134.00 1o5p n ASP 58 Ca 0.30 0.00 -0.06 0.00 -0.01 0.00 0.00 54.79 55.02 1o5p n ASP 58 Cb 0.49 0.00 0.01 0.00 -1.03 0.00 0.00 41.12 40.58 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 -2.01 0.16 0.00 2.12 0.00 -1.92 -3.11 119.26 114.49 1o5p h ALA 59 Ca 0.00 0.14 -0.32 0.00 0.00 0.00 0.00 54.91 54.72 1o5p h ALA 59 Cb 0.00 0.36 -0.06 0.00 0.00 0.00 0.00 17.79 18.09 1o5p h ALA 59 CO 0.00 -0.51 -2.21 0.09 0.00 0.00 0.00 179.25 176.61 1o5p n ASN 60 N -5.33 1.32 0.00 0.00 5.03 -1.26 -4.54 115.26 110.48 1o5p n ASN 60 Ca 0.01 -0.05 0.00 0.00 0.87 0.00 0.00 54.58 55.42 1o5p n ASN 60 Cb 0.24 0.44 0.00 0.00 -1.02 0.00 0.00 39.78 39.44 1o5p n ASN 60 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1o5p n GLY 61 N 2.13 0.73 3.61 7.41 0.00 -1.18 -2.01 105.19 115.88 1o5p n GLY 61 Ca -0.32 -0.76 -0.36 0.00 0.00 0.00 0.00 46.02 44.58 1o5p n GLY 61 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1o5p s SER 62 N -1.26 5.72 -0.20 1.61 0.01 -1.22 -2.15 113.70 116.21 1o5p s SER 62 Ca 0.00 0.04 -0.03 0.00 1.31 0.00 0.00 55.95 57.28 1o5p s SER 62 Cb 0.00 -2.01 0.06 0.00 0.21 0.00 0.00 66.02 64.29 1o5p s SER 62 CO 0.00 0.10 0.04 0.00 0.41 0.00 0.00 173.24 173.79 1o5p s ALA 63 N 0.83 1.06 -0.16 1.44 0.00 0.20 -4.60 121.76 120.52 1o5p s ALA 63 Ca 0.05 -0.79 0.01 0.00 0.00 0.00 0.00 51.96 51.23 1o5p s ALA 63 Cb -0.13 -1.22 0.02 0.00 0.00 0.00 0.00 23.12 21.79 1o5p s ALA 63 CO 0.02 -1.22 -0.15 -1.12 0.00 0.00 0.00 175.76 173.29 1o5p s SER 64 N 1.83 2.87 0.00 0.00 0.01 -1.26 0.48 113.70 117.63 1o5p s SER 64 Ca -0.00 -0.57 -0.09 0.00 1.31 0.00 0.00 55.95 56.60 1o5p s SER 64 Cb -0.17 -1.26 0.00 0.00 0.21 0.00 0.00 66.02 64.80 1o5p s SER 64 CO -0.10 -0.05 0.17 0.28 0.41 0.00 0.00 173.24 173.95 1o5p s THR 65 N 1.43 0.08 -0.12 1.44 -1.32 -0.65 -5.00 115.64 111.51 1o5p s THR 65 Ca 0.04 -0.68 -0.10 0.00 -1.21 0.00 0.00 61.69 59.74 1o5p s THR 65 Cb -0.13 -0.49 -0.05 0.00 -1.51 0.00 0.00 72.50 70.32 1o5p s THR 65 CO -0.11 -0.37 0.22 -0.94 -2.21 0.00 0.00 174.62 171.20 1o5p s SER 66 N -1.43 6.45 0.19 8.08 1.04 -1.26 -1.86 113.70 124.91 1o5p s SER 66 Ca -0.14 0.53 0.06 0.00 0.48 0.00 0.00 55.95 56.88 1o5p s SER 66 Cb -0.07 -2.13 -0.05 0.00 0.10 0.00 0.00 66.02 63.88 1o5p s SER 66 CO 0.02 0.30 -0.11 -0.76 0.98 0.00 0.00 173.24 173.67 1o5p s LEU 67 N -0.56 2.52 -0.25 2.42 1.43 0.05 -4.92 118.68 119.37 1o5p s LEU 67 Ca 0.16 -1.04 -0.10 0.00 -1.03 0.00 0.00 54.13 52.12 1o5p s LEU 67 Cb -0.13 -0.50 -0.05 0.00 0.03 0.00 0.00 46.19 45.54 1o5p s LEU 67 CO 0.05 -0.27 0.15 0.42 0.23 0.00 0.00 176.35 176.93 1o5p s THR 68 N -3.16 5.19 0.01 5.49 -4.23 -1.16 0.49 115.64 118.27 1o5p s THR 68 Ca 0.21 0.12 0.02 0.00 -1.18 0.00 0.00 61.69 60.86 1o5p s THR 68 Cb 0.01 -3.43 -0.01 0.00 1.34 0.00 0.00 72.50 70.41 1o5p s THR 68 CO 0.05 0.32 -0.07 0.68 -0.54 0.00 0.00 174.62 175.06 1o5p s VAL 69 N 1.29 0.52 0.06 2.29 -7.23 -0.86 -4.22 120.40 112.26 1o5p s VAL 69 Ca 0.07 -0.50 0.00 0.00 -1.81 0.00 0.00 61.98 59.74 1o5p s VAL 69 Cb -0.14 -0.48 -0.00 0.00 0.56 0.00 0.00 36.38 36.31 1o5p s VAL 69 CO 0.06 -0.00 0.08 -2.11 -0.31 0.00 0.00 175.10 172.82 1o5p n ARG 70 N 2.51 0.11 0.00 4.82 1.85 -1.26 -4.24 116.66 120.45 1o5p n ARG 70 Ca -0.16 -0.56 0.00 0.00 -1.00 0.00 0.00 57.85 56.13 1o5p n ARG 70 Cb 0.57 0.51 0.00 0.00 -1.05 0.00 0.00 32.46 32.49 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 -0.11 0.00 -1.74 2.89 0.00 -1.26 -4.61 116.66 111.82 1o5p n ARG 71 Ca 0.01 0.00 -0.40 0.00 -0.00 0.00 0.00 57.85 57.45 1o5p n ARG 71 Cb 0.11 -0.02 0.01 0.00 -0.00 0.00 0.00 32.46 32.57 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 3.15 -3.64 2.89 7.64 -1.26 -1.83 113.62 120.58 1o5p n SER 72 Ca 0.00 1.13 -0.09 0.00 1.01 0.00 0.00 58.87 60.92 1o5p n SER 72 Cb 0.00 -1.57 -0.07 0.00 -1.01 0.00 0.00 64.21 61.56 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 -1.18 -0.83 -0.34 1.43 -0.71 -0.67 -4.82 117.98 110.86 1o5p s PHE 73 Ca 0.60 1.82 -0.35 0.00 -1.04 0.00 0.00 56.93 57.96 1o5p s PHE 73 Cb -0.47 0.43 -0.15 0.00 -1.21 0.00 0.00 43.02 41.62 1o5p s PHE 73 CO 0.59 -0.41 1.18 0.39 -1.34 0.00 0.00 175.22 175.63 1o5p n GLU 74 N 3.36 0.00 -1.75 1.99 1.02 -1.26 -1.75 120.64 122.25 1o5p n GLU 74 Ca -0.17 0.00 -0.34 0.00 -0.02 0.00 0.00 57.16 56.64 1o5p n GLU 74 Cb 0.57 -1.14 -0.01 0.00 -0.02 0.00 0.00 31.44 30.84 1o5p n GLU 74 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1o5p n GLY 75 N 2.86 4.95 3.25 0.62 0.00 -0.58 -2.59 105.19 113.70 1o5p n GLY 75 Ca 0.23 -2.16 -0.59 0.00 0.00 0.00 0.00 46.02 43.49 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 0.34 1.39 -3.02 1.61 3.01 -0.23 -2.29 117.46 118.25 1o5p n PHE 76 Ca 0.52 0.91 -0.40 0.00 1.01 0.00 0.00 57.45 59.48 1o5p n PHE 76 Cb 0.39 -2.07 -0.05 0.00 -0.01 0.00 0.00 39.48 37.75 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 3.88 4.22 -0.32 4.37 2.96 -0.61 -1.41 118.68 131.78 1o5p s LEU 77 Ca 1.02 1.07 -0.02 0.00 -0.22 0.00 0.00 54.13 55.98 1o5p s LEU 77 Cb -1.37 -3.06 -0.02 0.00 0.50 0.00 0.00 46.19 42.23 1o5p s LEU 77 CO 0.69 -0.25 1.40 0.33 -1.32 0.00 0.00 176.35 177.20 1o5p n PHE 78 N 4.61 0.47 -2.00 5.38 7.35 -1.22 -2.94 117.46 129.10 1o5p n PHE 78 Ca 0.00 -0.99 0.00 0.00 -0.76 0.00 0.00 57.45 55.71 1o5p n PHE 78 Cb 0.50 -0.98 0.00 0.00 0.35 0.00 0.00 39.48 39.36 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 4.50 0.00 0.00 -2.13 -0.08 -1.26 -4.98 116.55 112.60 1o5p n ASP 79 Ca 0.16 -1.02 0.00 0.00 -1.51 0.00 0.00 54.79 52.43 1o5p n ASP 79 Cb 0.07 -0.00 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 2.77 3.97 0.27 0.00 -1.15 -4.99 105.19 106.06 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 -1.13 4.62 -0.05 2.61 -4.23 -1.26 -4.97 115.64 111.23 1o5p s THR 81 Ca 0.00 -0.87 -0.01 0.00 -1.18 0.00 0.00 61.69 59.63 1o5p s THR 81 Cb 0.00 -3.64 -0.03 0.00 1.34 0.00 0.00 72.50 70.17 1o5p s THR 81 CO 0.00 -0.29 0.02 0.00 -0.54 0.00 0.00 174.62 173.81 1o5p s ARG 82 N -4.17 2.96 0.31 3.99 1.70 -1.26 -1.57 118.95 120.90 1o5p s ARG 82 Ca 0.41 -0.47 0.23 0.00 -0.47 0.00 0.00 55.73 55.43 1o5p s ARG 82 Cb -0.09 -2.78 0.18 0.00 -0.57 0.00 0.00 34.95 31.68 1o5p s ARG 82 CO 0.32 0.68 1.32 2.35 -1.08 0.00 0.00 175.30 178.89 1o5p h TRP 83 N 4.76 0.00 0.00 5.89 7.01 -1.78 -3.45 115.95 128.39 1o5p h TRP 83 Ca -0.50 0.00 0.00 0.00 2.11 0.00 0.00 58.89 60.50 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 0.63 0.00 0.00 0.41 -2.79 0.00 0.00 178.44 176.69 1o5p n GLY 84 N 1.15 1.20 3.58 2.65 0.00 -1.26 -4.91 105.19 107.60 1o5p n GLY 84 Ca 0.02 -2.23 -0.40 0.00 0.00 0.00 0.00 46.02 43.40 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 -1.29 3.31 -0.57 2.61 -4.23 -1.26 -1.52 115.64 112.70 1o5p s THR 85 Ca 0.00 0.27 -0.28 0.00 -1.18 0.00 0.00 61.69 60.50 1o5p s THR 85 Cb 0.00 -3.56 0.01 0.00 1.34 0.00 0.00 72.50 70.29 1o5p s THR 85 CO 0.00 -0.45 1.43 -0.69 -0.54 0.00 0.00 174.62 174.37 1o5p s VAL 86 N 8.57 3.77 -0.27 2.29 1.01 -0.72 -4.68 120.40 130.37 1o5p s VAL 86 Ca 0.81 0.65 -0.28 0.00 0.00 0.00 0.00 61.98 63.15 1o5p s VAL 86 Cb -0.20 -4.43 -0.03 0.00 0.00 0.00 0.00 36.38 31.73 1o5p s VAL 86 CO 0.29 -1.17 1.88 -1.81 0.00 0.00 0.00 175.10 174.28 1o5p s ASP 87 N 4.54 5.89 0.00 3.32 1.11 -1.26 -1.67 116.67 128.60 1o5p s ASP 87 Ca 0.53 1.56 0.07 0.00 0.18 0.00 0.00 52.55 54.88 1o5p s ASP 87 Cb -0.11 -2.52 0.38 0.00 1.07 0.00 0.00 42.92 41.74 1o5p s ASP 87 CO 0.25 -1.67 1.06 0.00 1.18 0.00 0.00 175.17 175.99 1o5p n THR 89 N -1.24 0.06 -0.02 0.00 -2.24 -1.26 -4.16 114.28 105.42 1o5p n THR 89 Ca 0.04 -0.20 -0.04 0.00 -2.27 0.00 0.00 64.05 61.57 1o5p n THR 89 Cb 0.05 0.18 -0.01 0.00 -2.10 0.00 0.00 70.33 68.45 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 -0.12 0.35 -3.33 4.28 -2.24 -0.19 -5.07 114.28 107.96 1o5p n THR 90 Ca 0.18 -0.01 -0.22 0.00 -2.27 0.00 0.00 64.05 61.73 1o5p n THR 90 Cb 0.27 -1.57 0.05 0.00 -2.10 0.00 0.00 70.33 66.97 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 -3.24 1.13 -2.87 6.98 0.00 -1.17 -5.09 120.51 116.26 1o5p n ALA 91 Ca -0.08 -2.19 -0.39 0.00 0.00 0.00 0.00 53.44 50.79 1o5p n ALA 91 Cb 0.50 0.70 -0.12 0.00 0.00 0.00 0.00 19.45 20.54 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 -2.75 3.28 -0.23 0.00 0.00 -1.26 -4.71 121.76 116.10 1o5p s ALA 92 Ca 0.52 -1.38 -0.13 0.00 0.00 0.00 0.00 51.96 50.97 1o5p s ALA 92 Cb -0.04 -2.38 -0.04 0.00 0.00 0.00 0.00 23.12 20.65 1o5p s ALA 92 CO 0.33 -0.89 0.29 0.00 0.00 0.00 0.00 175.76 175.49 1o5p s GLN 94 N 1.29 3.16 -0.34 0.00 1.11 -0.36 -2.61 119.66 121.91 1o5p s GLN 94 Ca 0.13 -0.50 -0.10 0.00 0.01 0.00 0.00 55.36 54.90 1o5p s GLN 94 Cb -0.14 -2.90 0.01 0.00 -1.01 0.00 0.00 33.01 28.96 1o5p s GLN 94 CO 0.07 0.62 0.17 0.08 0.01 0.00 0.00 175.29 176.24 1o5p s VAL 95 N -1.34 4.55 0.00 1.09 1.01 0.20 -2.14 120.40 123.78 1o5p s VAL 95 Ca 0.28 -0.64 0.00 0.00 0.00 0.00 0.00 61.98 61.62 1o5p s VAL 95 Cb -0.12 -3.42 0.00 0.00 0.00 0.00 0.00 36.38 32.83 1o5p s VAL 95 CO 0.20 -0.07 0.00 0.61 0.00 0.00 0.00 175.10 175.84 1o5p n GLY 96 N 4.98 2.52 3.74 4.51 0.00 -1.08 0.31 105.19 120.16 1o5p n GLY 96 Ca -0.13 -1.16 -0.32 0.00 0.00 0.00 0.00 46.02 44.41 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 2.33 0.00 0.99 1.02 -1.24 -2.19 118.68 119.59 1o5p s LEU 97 Ca 0.00 -1.63 0.00 0.00 0.02 0.00 0.00 54.13 52.52 1o5p s LEU 97 Cb 0.00 -0.71 0.00 0.00 0.02 0.00 0.00 46.19 45.50 1o5p s LEU 97 CO 0.00 -0.82 0.00 -0.24 0.02 0.00 0.00 176.35 175.31 1o5p n SER 98 N -1.24 0.00 -0.52 2.29 2.88 -0.53 -4.35 113.62 112.16 1o5p n SER 98 Ca -0.17 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.37 1o5p n SER 98 Cb 0.67 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.13 1o5p n SER 98 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1o5p n ASP 99 N 0.00 0.74 -1.61 -3.46 5.75 -1.23 0.27 116.55 117.02 1o5p n ASP 99 Ca 0.00 -0.26 -0.15 0.00 -0.01 0.00 0.00 54.79 54.36 1o5p n ASP 99 Cb 0.00 0.00 0.10 0.00 -1.03 0.00 0.00 41.12 40.19 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 4.79 -0.04 2.12 0.00 -1.26 -4.59 120.51 118.53 1o5p n ALA 100 Ca 0.00 -3.52 -0.05 0.00 0.00 0.00 0.00 53.44 49.88 1o5p n ALA 100 Cb 0.00 -0.61 -0.06 0.00 0.00 0.00 0.00 19.45 18.79 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 1.80 0.00 0.00 0.00 -1.26 -5.01 120.51 115.14 1o5p n ALA 101 Ca 0.39 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1o5p n ALA 101 Cb 0.90 0.13 0.00 0.00 0.00 0.00 0.00 19.45 20.48 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 2.63 1.01 2.92 0.00 0.00 -1.26 -5.14 105.19 105.35 1o5p n GLY 102 Ca -0.14 -0.07 -0.06 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.70 -0.13 1.61 5.03 -1.26 -5.01 115.26 113.79 1o5p n ASN 103 Ca 0.00 -2.14 0.00 0.00 0.87 0.00 0.00 54.58 53.31 1o5p n ASN 103 Cb 0.00 2.83 0.00 0.00 -1.02 0.00 0.00 39.78 41.59 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 -0.44 1.62 2.57 7.41 0.00 -1.26 -3.52 105.19 111.57 1o5p n GLY 104 Ca -0.06 -0.69 -0.11 0.00 0.00 0.00 0.00 46.02 45.16 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 -0.56 -2.85 1.61 -0.02 -1.26 -4.91 135.00 127.01 1o5p n PRO 105 Ca 0.00 -0.50 -0.21 0.00 -2.02 0.00 0.00 63.50 60.77 1o5p n PRO 105 Cb 0.00 -1.19 0.08 0.00 -0.02 0.00 0.00 33.50 32.37 1o5p n PRO 105 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1o5p s GLU 106 N -2.95 2.06 0.45 -0.52 2.02 -1.26 -4.70 118.70 113.79 1o5p s GLU 106 Ca 0.23 -1.42 0.06 0.00 0.02 0.00 0.00 54.97 53.86 1o5p s GLU 106 Cb -0.04 -2.52 -0.04 0.00 0.10 0.00 0.00 34.13 31.62 1o5p s GLU 106 CO 0.19 -1.09 0.11 0.20 0.02 0.00 0.00 175.26 174.70 1o5p s GLY 107 N -4.69 2.54 0.16 -1.39 0.00 -1.26 -3.71 107.32 98.97 1o5p s GLY 107 Ca 0.64 -1.72 0.07 0.00 0.00 0.00 0.00 44.72 43.70 1o5p s GLY 107 CO 0.41 -2.04 -0.01 0.14 0.00 0.00 0.00 173.10 171.60 1o5p s VAL 108 N -2.71 3.71 -0.24 1.40 1.01 0.15 -4.84 120.40 118.87 1o5p s VAL 108 Ca 0.31 -1.36 -0.15 0.00 0.00 0.00 0.00 61.98 60.79 1o5p s VAL 108 Cb 0.05 -2.84 -0.04 0.00 0.00 0.00 0.00 36.38 33.55 1o5p s VAL 108 CO 0.17 -0.06 0.36 0.00 0.00 0.00 0.00 175.10 175.57 1o5p s ALA 109 N -1.62 3.57 0.44 5.51 0.00 -1.26 0.59 121.76 128.99 1o5p s ALA 109 Ca 0.27 -0.72 0.06 0.00 0.00 0.00 0.00 51.96 51.56 1o5p s ALA 109 Cb -0.10 -2.64 0.01 0.00 0.00 0.00 0.00 23.12 20.40 1o5p s ALA 109 CO 0.18 -0.48 0.61 0.96 0.00 0.00 0.00 175.76 177.03 1o5p s ILE 110 N 1.68 3.14 0.05 0.00 -4.36 -1.07 -4.82 121.20 115.82 1o5p s ILE 110 Ca 0.15 -0.89 -0.00 0.00 -0.26 0.00 0.00 60.65 59.65 1o5p s ILE 110 Cb -0.15 -3.09 -0.04 0.00 1.25 0.00 0.00 42.46 40.43 1o5p s ILE 110 CO 0.09 -0.04 -0.04 -0.55 0.24 0.00 0.00 174.94 174.63 1o5p s SER 111 N -4.33 0.60 -0.36 4.36 0.15 0.18 -4.72 113.70 109.58 1o5p s SER 111 Ca 0.54 -0.90 0.00 0.00 0.70 0.00 0.00 55.95 56.29 1o5p s SER 111 Cb -0.10 0.15 0.12 0.00 -1.71 0.00 0.00 66.02 64.49 1o5p s SER 111 CO 0.34 -0.50 0.18 -0.36 1.20 0.00 0.00 173.24 174.10 1o5p s PHE 112 N -3.34 1.41 -2.52 3.44 0.08 -1.26 -3.03 117.98 112.76 1o5p s PHE 112 Ca 0.03 -1.87 0.28 0.00 0.12 0.00 0.00 56.93 55.50 1o5p s PHE 112 Cb 0.04 -1.49 1.02 0.00 -0.57 0.00 0.00 43.02 42.02 1o5p s PHE 112 CO -0.07 -0.83 1.73 0.27 -0.10 0.00 0.00 175.22 176.22