#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 3.64 0.87 0.00 0.00 -1.26 -4.91 121.76 120.09 1o5p s ALA 2 Ca 0.00 -1.83 -0.12 0.00 0.00 0.00 0.00 51.96 50.01 1o5p s ALA 2 Cb 0.00 -0.81 0.11 0.00 0.00 0.00 0.00 23.12 22.42 1o5p s ALA 2 CO 0.00 -0.02 1.14 -2.30 0.00 0.00 0.00 175.76 174.58 1o5p n PRO 3 N -1.25 -0.16 -1.93 0.00 -0.02 -0.48 -4.19 135.00 126.96 1o5p n PRO 3 Ca -0.02 0.03 0.00 0.00 -2.02 0.00 0.00 63.50 61.49 1o5p n PRO 3 Cb 0.61 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 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 -3.79 0.00 -3.64 3.45 5.66 0.25 -4.86 114.28 111.35 1o5p n THR 4 Ca 0.13 0.00 -0.04 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 69.23 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 -0.33 1.79 0.00 -1.26 -1.07 121.76 117.75 1o5p s ALA 5 Ca 0.00 2.22 -0.03 0.00 0.00 0.00 0.00 51.96 54.15 1o5p s ALA 5 Cb 0.00 -1.61 0.05 0.00 0.00 0.00 0.00 23.12 21.57 1o5p s ALA 5 CO 0.00 -0.34 0.06 -0.08 0.00 0.00 0.00 175.76 175.39 1o5p s THR 6 N 1.28 3.27 0.00 0.00 -1.32 -0.09 -4.84 115.64 113.94 1o5p s THR 6 Ca -0.08 -1.39 0.06 0.00 -1.21 0.00 0.00 61.69 59.07 1o5p s THR 6 Cb -0.04 -2.92 -0.03 0.00 -1.51 0.00 0.00 72.50 68.00 1o5p s THR 6 CO -0.15 -0.20 -0.19 -0.69 -2.21 0.00 0.00 174.62 171.18 1o5p s VAL 7 N 1.29 2.72 -0.28 5.08 1.01 -1.26 -0.32 120.40 128.65 1o5p s VAL 7 Ca -0.02 -1.03 -0.30 0.00 0.00 0.00 0.00 61.98 60.63 1o5p s VAL 7 Cb -0.20 -2.08 0.19 0.00 0.00 0.00 0.00 36.38 34.28 1o5p s VAL 7 CO -0.00 0.46 1.33 -0.89 0.00 0.00 0.00 175.10 176.01 1o5p s THR 8 N -0.80 0.00 0.56 3.92 2.01 -0.15 -4.55 115.64 116.63 1o5p s THR 8 Ca 0.13 0.00 -0.17 0.00 0.31 0.00 0.00 61.69 61.96 1o5p s THR 8 Cb -0.10 -1.00 -0.05 0.00 0.01 0.00 0.00 72.50 71.36 1o5p s THR 8 CO 0.02 0.00 1.05 -2.16 -0.69 0.00 0.00 174.62 172.84 1o5p s PRO 9 N -1.07 3.49 0.05 4.92 0.05 -1.26 -0.59 135.00 140.58 1o5p s PRO 9 Ca 0.08 1.21 0.18 0.00 0.05 0.00 0.00 61.00 62.51 1o5p s PRO 9 Cb -0.01 -2.06 -0.15 0.00 0.05 0.00 0.00 34.50 32.34 1o5p s PRO 9 CO -0.07 -0.67 0.77 0.43 0.05 0.00 0.00 177.00 177.50 1o5p n SER 10 N -1.77 0.75 -4.17 6.66 7.64 -1.26 -4.76 113.62 116.71 1o5p n SER 10 Ca 0.09 0.33 -0.10 0.00 1.01 0.00 0.00 58.87 60.19 1o5p n SER 10 Cb 0.53 0.34 -0.10 0.00 -1.01 0.00 0.00 64.21 63.97 1o5p n SER 10 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1o5p s SER 11 N -5.66 0.72 -0.09 6.43 0.01 -1.26 0.57 113.70 114.43 1o5p s SER 11 Ca -0.04 -1.13 -0.00 0.00 1.31 0.00 0.00 55.95 56.09 1o5p s SER 11 Cb 0.09 0.20 0.00 0.00 0.21 0.00 0.00 66.02 66.52 1o5p s SER 11 CO 0.82 -0.62 0.05 0.61 0.41 0.00 0.00 173.24 174.51 1o5p n GLY 12 N -0.09 0.71 0.13 3.44 0.00 -1.14 -4.90 105.19 103.33 1o5p n GLY 12 Ca -0.08 -0.68 -0.22 0.00 0.00 0.00 0.00 46.02 45.04 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 -0.62 2.38 -1.22 0.99 4.77 -1.26 -5.05 117.00 117.00 1o5p n LEU 13 Ca -0.00 0.23 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 1o5p n LEU 13 Cb 0.51 -1.00 0.00 0.00 -2.33 0.00 0.00 43.42 40.59 1o5p n LEU 13 CO 0.03 0.67 -0.36 -0.24 -1.33 0.00 0.00 177.39 176.16 1o5p n SER 14 N -3.82 -6.66 -4.49 -1.43 2.88 -1.26 -3.79 113.62 95.05 1o5p n SER 14 Ca -0.37 1.23 -0.44 0.00 -1.33 0.00 0.00 58.87 57.96 1o5p n SER 14 Cb 0.91 -3.59 -0.07 0.00 -0.75 0.00 0.00 64.21 60.71 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 -1.73 1.88 0.00 -3.46 5.75 -1.26 -2.15 116.55 115.58 1o5p n ASP 15 Ca 0.00 0.08 0.00 0.00 -0.01 0.00 0.00 54.79 54.86 1o5p n ASP 15 Cb 0.21 -1.31 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 6.34 0.87 1.77 6.12 0.00 -1.26 -5.05 105.19 113.98 1o5p n GLY 16 Ca 0.44 0.00 -0.10 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 0.00 0.00 -4.77 2.61 5.66 -0.91 -4.97 114.28 111.90 1o5p n THR 17 Ca 0.00 -0.95 -0.25 0.00 -3.05 0.00 0.00 64.05 59.80 1o5p n THR 17 Cb 0.00 -0.52 -0.16 0.00 -1.55 0.00 0.00 70.33 68.10 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 -0.96 1.32 0.17 1.08 1.01 -1.26 -2.19 120.40 119.58 1o5p s VAL 18 Ca 0.21 -0.67 0.07 0.00 0.00 0.00 0.00 61.98 61.59 1o5p s VAL 18 Cb -0.02 -1.14 -0.04 0.00 0.00 0.00 0.00 36.38 35.19 1o5p s VAL 18 CO 0.13 0.38 0.03 0.68 0.00 0.00 0.00 175.10 176.33 1o5p s VAL 19 N 0.01 3.91 -0.34 2.92 -7.23 0.20 -4.74 120.40 115.13 1o5p s VAL 19 Ca -0.02 -1.34 -0.05 0.00 -1.81 0.00 0.00 61.98 58.75 1o5p s VAL 19 Cb -0.10 -2.98 0.05 0.00 0.56 0.00 0.00 36.38 33.90 1o5p s VAL 19 CO 0.02 -0.11 0.10 -0.75 -0.31 0.00 0.00 175.10 174.04 1o5p s LYS 20 N -2.99 2.56 -0.09 4.82 2.20 0.24 -0.84 119.74 125.63 1o5p s LYS 20 Ca 0.28 -1.24 -0.03 0.00 -0.36 0.00 0.00 55.97 54.62 1o5p s LYS 20 Cb -0.09 -3.43 -0.04 0.00 -1.51 0.00 0.00 37.83 32.76 1o5p s LYS 20 CO 0.20 -0.69 0.06 0.54 -0.36 0.00 0.00 175.35 175.09 1o5p s VAL 21 N 1.36 4.76 0.11 4.02 0.11 -0.90 -0.97 120.40 128.89 1o5p s VAL 21 Ca -0.02 -0.10 0.02 0.00 -2.93 0.00 0.00 61.98 58.95 1o5p s VAL 21 Cb -0.20 -3.04 -0.04 0.00 -1.53 0.00 0.00 36.38 31.56 1o5p s VAL 21 CO 0.02 0.59 -0.07 0.00 -3.33 0.00 0.00 175.10 172.31 1o5p s ALA 22 N -0.96 1.07 0.02 1.54 0.00 0.57 -1.56 121.76 122.44 1o5p s ALA 22 Ca 0.15 -1.39 0.03 0.00 0.00 0.00 0.00 51.96 50.75 1o5p s ALA 22 Cb -0.12 0.17 -0.01 0.00 0.00 0.00 0.00 23.12 23.16 1o5p s ALA 22 CO 0.04 -0.22 -0.11 0.20 0.00 0.00 0.00 175.76 175.67 1o5p s GLY 23 N -3.07 0.57 -0.11 0.00 0.00 0.33 -0.92 107.32 104.13 1o5p s GLY 23 Ca 0.13 -0.60 -0.05 0.00 0.00 0.00 0.00 44.72 44.21 1o5p s GLY 23 CO -0.03 -0.57 0.24 0.00 0.00 0.00 0.00 173.10 172.73 1o5p s ALA 24 N -0.61 -0.49 0.00 3.20 0.00 -0.24 0.09 121.76 123.70 1o5p s ALA 24 Ca 0.01 0.91 0.00 0.00 0.00 0.00 0.00 51.96 52.87 1o5p s ALA 24 Cb -0.06 -0.78 0.00 0.00 0.00 0.00 0.00 23.12 22.28 1o5p s ALA 24 CO 0.00 -0.40 0.00 0.41 0.00 0.00 0.00 175.76 175.78 1o5p n GLY 25 N 4.76 0.96 3.96 0.00 0.00 -1.06 0.84 105.19 114.64 1o5p n GLY 25 Ca -0.16 -0.53 -0.26 0.00 0.00 0.00 0.00 46.02 45.07 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 2.85 -0.89 0.99 1.43 -0.53 -1.39 118.68 121.15 1o5p s LEU 26 Ca 0.00 0.06 -0.25 0.00 -1.03 0.00 0.00 54.13 52.91 1o5p s LEU 26 Cb 0.00 -2.38 -0.21 0.00 0.03 0.00 0.00 46.19 43.63 1o5p s LEU 26 CO 0.00 -2.09 2.50 0.00 0.23 0.00 0.00 176.35 176.99 1o5p n GLN 27 N -3.17 0.24 -1.15 1.70 3.00 -1.26 -4.09 117.38 112.65 1o5p n GLN 27 Ca 0.13 -0.07 -0.21 0.00 -0.01 0.00 0.00 57.00 56.84 1o5p n GLN 27 Cb 0.60 -1.94 -0.10 0.00 0.00 0.00 0.00 30.24 28.80 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 11.11 0.40 0.00 -1.58 0.00 -1.24 -1.36 120.51 127.83 1o5p n ALA 28 Ca 0.59 -2.10 0.00 0.00 0.00 0.00 0.00 53.44 51.93 1o5p n ALA 28 Cb 0.19 -2.90 0.00 0.00 0.00 0.00 0.00 19.45 16.73 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 5.42 0.46 2.97 0.00 0.00 0.92 -4.81 105.19 110.15 1o5p n GLY 29 Ca 0.35 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.25 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 -0.57 -0.49 0.02 2.61 -1.32 -0.47 -4.89 115.64 110.54 1o5p s THR 30 Ca 0.00 0.08 -0.39 0.00 -1.21 0.00 0.00 61.69 60.16 1o5p s THR 30 Cb 0.00 -0.64 -0.19 0.00 -1.51 0.00 0.00 72.50 70.16 1o5p s THR 30 CO 0.00 -0.03 1.14 0.00 -2.21 0.00 0.00 174.62 173.52 1o5p n ALA 31 N 5.35 -2.96 -2.41 11.08 0.00 -1.26 -2.72 120.51 127.59 1o5p n ALA 31 Ca -0.06 0.58 -0.28 0.00 0.00 0.00 0.00 53.44 53.68 1o5p n ALA 31 Cb 0.50 -1.84 -0.13 0.00 0.00 0.00 0.00 19.45 17.97 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 0.12 2.17 0.18 0.00 2.02 0.18 -4.49 117.35 117.52 1o5p s TYR 32 Ca 0.89 -0.39 0.04 0.00 -0.37 0.00 0.00 57.07 57.23 1o5p s TYR 32 Cb -1.19 -1.22 -0.03 0.00 -0.40 0.00 0.00 41.96 39.12 1o5p s TYR 32 CO 0.54 0.23 0.29 -0.51 -1.57 0.00 0.00 175.55 174.53 1o5p s ASP 33 N -1.72 6.20 -0.08 2.29 1.01 0.76 -1.54 116.67 123.59 1o5p s ASP 33 Ca 0.11 0.08 -0.03 0.00 0.71 0.00 0.00 52.55 53.43 1o5p s ASP 33 Cb -0.10 -1.82 0.04 0.00 1.01 0.00 0.00 42.92 42.06 1o5p s ASP 33 CO 0.04 0.01 0.08 0.54 0.21 0.00 0.00 175.17 176.05 1o5p s VAL 34 N -1.84 -0.12 0.13 -1.27 0.11 -0.90 -1.18 120.40 115.34 1o5p s VAL 34 Ca 0.34 0.27 -0.15 0.00 -2.93 0.00 0.00 61.98 59.50 1o5p s VAL 34 Cb -0.10 -0.27 0.05 0.00 -1.53 0.00 0.00 36.38 34.53 1o5p s VAL 34 CO 0.28 0.05 0.72 0.61 -3.33 0.00 0.00 175.10 173.43 1o5p n GLY 35 N 5.30 0.82 3.46 6.54 0.00 -0.91 -0.15 105.19 120.25 1o5p n GLY 35 Ca -0.04 -1.08 -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 2.98 0.07 1.61 -2.07 -1.26 -2.55 119.66 116.40 1o5p s GLN 36 Ca 0.16 -1.01 0.05 0.00 -1.82 0.00 0.00 55.36 52.74 1o5p s GLN 36 Cb -0.02 -3.98 -0.03 0.00 -1.09 0.00 0.00 33.01 27.89 1o5p s GLN 36 CO 0.04 -0.76 -0.15 0.00 -1.32 0.00 0.00 175.29 173.11 1o5p s ALA 38 N -1.29 1.66 -0.35 0.00 0.00 -0.52 -1.66 121.76 119.60 1o5p s ALA 38 Ca -0.01 -0.83 -0.17 0.00 0.00 0.00 0.00 51.96 50.96 1o5p s ALA 38 Cb -0.10 -0.46 -0.01 0.00 0.00 0.00 0.00 23.12 22.55 1o5p s ALA 38 CO 0.02 0.37 0.44 -1.58 0.00 0.00 0.00 175.76 175.01 1o5p s TRP 39 N -0.30 3.19 -0.85 0.00 0.51 -1.26 -1.44 118.94 118.80 1o5p s TRP 39 Ca 0.03 0.07 0.16 0.00 -2.12 0.00 0.00 56.10 54.25 1o5p s TRP 39 Cb -0.09 -2.80 0.57 0.00 -0.81 0.00 0.00 33.47 30.33 1o5p s TRP 39 CO 0.00 -0.49 1.48 1.33 -0.51 0.00 0.00 176.95 178.77 1o5p n VAL 40 N 5.34 1.72 -1.71 4.03 0.24 -0.89 -4.75 118.33 122.31 1o5p n VAL 40 Ca -0.07 -1.31 0.00 0.00 -2.04 0.00 0.00 64.34 60.92 1o5p n VAL 40 Cb 0.49 0.14 0.00 0.00 -1.47 0.00 0.00 33.84 33.00 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 0.57 0.00 -4.55 -1.34 9.92 -1.26 -4.95 116.55 114.94 1o5p n ASP 41 Ca 0.21 0.00 -0.36 0.00 -0.53 0.00 0.00 54.79 54.11 1o5p n ASP 41 Cb 0.77 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 41.21 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 -2.53 3.46 0.00 -3.53 2.01 -1.26 -2.91 115.64 110.89 1o5p s THR 42 Ca 0.00 0.04 0.00 0.00 0.31 0.00 0.00 61.69 62.04 1o5p s THR 42 Cb 0.00 -4.16 0.00 0.00 0.01 0.00 0.00 72.50 68.35 1o5p s THR 42 CO 0.00 -1.12 0.00 0.61 -0.69 0.00 0.00 174.62 173.42 1o5p n GLY 43 N 6.00 0.74 3.12 4.40 0.00 -1.26 -5.05 105.19 113.15 1o5p n GLY 43 Ca 0.23 -0.69 -0.34 0.00 0.00 0.00 0.00 46.02 45.23 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 -0.34 1.61 1.01 -1.14 -4.99 120.40 117.31 1o5p s VAL 44 Ca 0.00 -1.72 -0.01 0.00 0.00 0.00 0.00 61.98 60.25 1o5p s VAL 44 Cb 0.00 -2.73 0.08 0.00 0.00 0.00 0.00 36.38 33.73 1o5p s VAL 44 CO 0.00 -0.28 0.07 -0.22 0.00 0.00 0.00 175.10 174.67 1o5p s LEU 45 N 1.14 4.49 -0.42 3.92 2.96 -1.26 -2.09 118.68 127.42 1o5p s LEU 45 Ca -0.01 -1.69 -0.17 0.00 -0.22 0.00 0.00 54.13 52.04 1o5p s LEU 45 Cb -0.20 -1.73 0.02 0.00 0.50 0.00 0.00 46.19 44.78 1o5p s LEU 45 CO -0.04 -0.38 0.40 0.00 -1.32 0.00 0.00 176.35 175.02 1o5p s ALA 46 N 1.14 3.44 0.39 5.97 0.00 -0.52 -3.48 121.76 128.70 1o5p s ALA 46 Ca 0.02 -1.60 0.08 0.00 0.00 0.00 0.00 51.96 50.46 1o5p s ALA 46 Cb -0.21 -3.02 -0.03 0.00 0.00 0.00 0.00 23.12 19.86 1o5p s ALA 46 CO -0.04 -1.57 0.28 0.00 0.00 0.00 0.00 175.76 174.43 1o5p s ASN 48 N -4.01 3.38 0.00 0.00 3.84 -0.93 -1.17 114.94 116.05 1o5p s ASN 48 Ca 0.44 -0.43 0.00 0.00 0.21 0.00 0.00 52.86 53.07 1o5p s ASN 48 Cb -0.02 -0.98 0.00 0.00 -0.55 0.00 0.00 41.25 39.70 1o5p s ASN 48 CO 0.26 0.25 0.46 -0.81 -2.79 0.00 0.00 177.10 174.46 1o5p n PRO 49 N 2.95 0.68 -0.04 0.43 -0.04 -1.26 -3.14 135.00 134.58 1o5p n PRO 49 Ca -0.18 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.35 1o5p n PRO 49 Cb 0.52 -1.28 0.08 0.00 -0.04 0.00 0.00 33.50 32.78 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 0.33 2.42 -1.76 0.55 0.00 -1.26 -4.38 120.51 116.41 1o5p n ALA 50 Ca 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 53.44 52.72 1o5p n ALA 50 Cb 0.23 -0.47 0.00 0.00 0.00 0.00 0.00 19.45 19.21 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 0.75 0.00 -4.55 0.00 5.75 -1.19 -2.55 116.55 114.77 1o5p n ASP 51 Ca 0.09 -1.70 -0.41 0.00 -0.01 0.00 0.00 54.79 52.76 1o5p n ASP 51 Cb 0.36 -0.14 -0.03 0.00 -1.03 0.00 0.00 41.12 40.28 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 0.00 2.59 0.00 2.11 0.08 -1.25 -3.13 117.98 118.37 1o5p s PHE 52 Ca 0.00 -0.87 0.00 0.00 0.12 0.00 0.00 56.93 56.18 1o5p s PHE 52 Cb 0.00 -4.65 0.00 0.00 -0.57 0.00 0.00 43.02 37.80 1o5p s PHE 52 CO 0.00 -1.89 0.00 0.43 -0.10 0.00 0.00 175.22 173.66 1o5p n SER 53 N 8.65 0.77 0.00 1.36 7.64 0.79 -4.92 113.62 127.91 1o5p n SER 53 Ca 0.31 -0.69 0.00 0.00 1.01 0.00 0.00 58.87 59.50 1o5p n SER 53 Cb 0.51 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.71 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 -1.53 0.00 -3.72 6.43 2.88 -1.26 -2.11 113.62 114.30 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 -0.49 0.09 0.04 2.46 0.11 -0.59 -4.95 120.40 117.07 1o5p s VAL 55 Ca 0.00 -0.71 -0.06 0.00 -2.93 0.00 0.00 61.98 58.28 1o5p s VAL 55 Cb 0.00 -1.09 -0.05 0.00 -1.53 0.00 0.00 36.38 33.72 1o5p s VAL 55 CO 0.00 -0.39 0.29 -0.89 -3.33 0.00 0.00 175.10 170.78 1o5p s THR 56 N -3.17 5.27 -0.36 5.04 2.01 -1.26 0.48 115.64 123.65 1o5p s THR 56 Ca -0.01 0.11 -0.28 0.00 0.31 0.00 0.00 61.69 61.82 1o5p s THR 56 Cb 0.01 -3.59 -0.02 0.00 0.01 0.00 0.00 72.50 68.91 1o5p s THR 56 CO -0.07 0.28 1.81 0.00 -0.69 0.00 0.00 174.62 175.95 1o5p s ALA 57 N -1.39 2.77 0.00 7.40 0.00 -1.10 -4.68 121.76 124.76 1o5p s ALA 57 Ca 0.31 0.15 0.00 0.00 0.00 0.00 0.00 51.96 52.42 1o5p s ALA 57 Cb -0.13 -4.05 0.00 0.00 0.00 0.00 0.00 23.12 18.94 1o5p s ALA 57 CO 0.19 -2.80 0.00 -3.47 0.00 0.00 0.00 175.76 169.68 1o5p n ASP 58 N 10.65 0.00 -0.10 0.00 2.03 -1.26 0.31 116.55 128.18 1o5p n ASP 58 Ca 0.23 0.00 -0.06 0.00 0.52 0.00 0.00 54.79 55.48 1o5p n ASP 58 Cb 0.47 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.88 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 0.07 0.00 -1.67 0.00 -1.93 -3.08 119.26 110.65 1o5p h ALA 59 Ca 0.00 0.13 -0.33 0.00 0.00 0.00 0.00 54.91 54.71 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 -0.56 -2.23 -1.71 0.00 0.00 0.00 179.25 174.74 1o5p n ASN 60 N -5.36 1.08 0.00 0.00 2.85 -1.26 -4.55 115.26 108.02 1o5p n ASN 60 Ca 0.01 -0.03 0.00 0.00 -0.11 0.00 0.00 54.58 54.45 1o5p n ASN 60 Cb 0.27 0.59 0.00 0.00 1.24 0.00 0.00 39.78 41.88 1o5p n ASN 60 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1o5p n GLY 61 N 2.05 0.76 3.76 8.20 0.00 -1.17 -1.45 105.19 117.34 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 -1.35 0.00 0.00 0.00 173.32 171.97 1o5p s SER 62 N -1.46 6.32 -0.20 1.61 1.04 -1.26 -2.47 113.70 117.29 1o5p s SER 62 Ca 0.00 0.37 -0.04 0.00 0.48 0.00 0.00 55.95 56.76 1o5p s SER 62 Cb 0.00 -2.12 0.07 0.00 0.10 0.00 0.00 66.02 64.07 1o5p s SER 62 CO 0.00 0.20 0.08 0.00 0.98 0.00 0.00 173.24 174.50 1o5p s ALA 63 N 0.12 0.62 -0.16 5.32 0.00 0.11 -4.63 121.76 123.16 1o5p s ALA 63 Ca 0.12 -0.55 0.00 0.00 0.00 0.00 0.00 51.96 51.54 1o5p s ALA 63 Cb -0.12 -1.13 0.03 0.00 0.00 0.00 0.00 23.12 21.89 1o5p s ALA 63 CO 0.01 -1.25 -0.13 -1.12 0.00 0.00 0.00 175.76 173.27 1o5p s SER 64 N 2.05 2.78 -0.05 0.00 0.01 -1.26 0.12 113.70 117.35 1o5p s SER 64 Ca 0.02 -0.54 -0.09 0.00 1.31 0.00 0.00 55.95 56.65 1o5p s SER 64 Cb -0.16 -1.17 0.02 0.00 0.21 0.00 0.00 66.02 64.91 1o5p s SER 64 CO -0.13 -0.07 0.21 0.28 0.41 0.00 0.00 173.24 173.94 1o5p s THR 65 N 1.48 0.03 -0.08 1.44 -1.32 -0.60 -4.99 115.64 111.61 1o5p s THR 65 Ca 0.04 -0.26 -0.07 0.00 -1.21 0.00 0.00 61.69 60.19 1o5p s THR 65 Cb -0.13 -0.39 -0.04 0.00 -1.51 0.00 0.00 72.50 70.42 1o5p s THR 65 CO -0.10 -0.14 0.19 -0.94 -2.21 0.00 0.00 174.62 171.41 1o5p s SER 66 N -0.50 6.44 0.18 8.08 1.04 -1.26 -2.12 113.70 125.55 1o5p s SER 66 Ca -0.06 0.50 -0.03 0.00 0.48 0.00 0.00 55.95 56.85 1o5p s SER 66 Cb -0.04 -2.08 -0.03 0.00 0.10 0.00 0.00 66.02 63.97 1o5p s SER 66 CO 0.01 0.36 0.15 -0.76 0.98 0.00 0.00 173.24 173.98 1o5p s LEU 67 N -1.26 1.27 -0.21 2.42 1.02 -0.02 -4.93 118.68 116.96 1o5p s LEU 67 Ca 0.19 -1.23 -0.12 0.00 0.02 0.00 0.00 54.13 52.99 1o5p s LEU 67 Cb -0.13 0.56 -0.05 0.00 0.02 0.00 0.00 46.19 46.60 1o5p s LEU 67 CO 0.09 -0.83 0.23 0.42 0.02 0.00 0.00 176.35 176.27 1o5p s THR 68 N -4.09 5.33 -0.00 5.49 -4.23 -1.06 0.60 115.64 117.67 1o5p s THR 68 Ca 0.30 0.35 0.02 0.00 -1.18 0.00 0.00 61.69 61.19 1o5p s THR 68 Cb 0.06 -3.56 -0.01 0.00 1.34 0.00 0.00 72.50 70.33 1o5p s THR 68 CO 0.07 0.35 -0.07 0.68 -0.54 0.00 0.00 174.62 175.11 1o5p s VAL 69 N 0.89 0.58 0.00 2.29 -7.23 -0.93 -4.02 120.40 111.97 1o5p s VAL 69 Ca 0.11 -0.35 0.00 0.00 -1.81 0.00 0.00 61.98 59.93 1o5p s VAL 69 Cb -0.13 -0.49 0.00 0.00 0.56 0.00 0.00 36.38 36.31 1o5p s VAL 69 CO 0.04 0.14 0.00 0.54 -0.31 0.00 0.00 175.10 175.50 1o5p n ARG 70 N 2.82 1.80 0.00 4.82 1.74 -1.26 -4.33 116.66 122.26 1o5p n ARG 70 Ca -0.14 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.94 1o5p n ARG 70 Cb 0.57 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.01 1o5p n ARG 70 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1o5p n ARG 71 N 0.00 0.00 -2.19 5.56 1.74 -1.26 -4.76 116.66 115.75 1o5p n ARG 71 Ca 0.00 0.02 -0.41 0.00 -0.77 0.00 0.00 57.85 56.69 1o5p n ARG 71 Cb 0.00 -0.51 -0.03 0.00 -1.02 0.00 0.00 32.46 30.91 1o5p n ARG 71 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1o5p s SER 72 N -1.07 6.87 -0.27 0.55 0.01 -1.26 -0.72 113.70 117.81 1o5p s SER 72 Ca 0.00 2.50 -0.23 0.00 1.31 0.00 0.00 55.95 59.53 1o5p s SER 72 Cb 0.00 -2.62 0.07 0.00 0.21 0.00 0.00 66.02 63.68 1o5p s SER 72 CO 0.00 -0.51 0.71 0.72 0.41 0.00 0.00 173.24 174.57 1o5p s PHE 73 N -0.35 -0.85 -0.34 2.43 -0.71 -0.77 -4.85 117.98 112.53 1o5p s PHE 73 Ca 0.54 1.98 -0.32 0.00 -1.04 0.00 0.00 56.93 58.08 1o5p s PHE 73 Cb -0.38 0.36 -0.14 0.00 -1.21 0.00 0.00 43.02 41.66 1o5p s PHE 73 CO 0.43 -0.41 1.13 0.39 -1.34 0.00 0.00 175.22 175.41 1o5p n GLU 74 N 3.07 0.00 -1.28 1.99 -0.58 -1.26 -1.45 120.64 121.14 1o5p n GLU 74 Ca -0.15 0.00 -0.22 0.00 -0.42 0.00 0.00 57.16 56.37 1o5p n GLU 74 Cb 0.56 -1.03 -0.07 0.00 -0.57 0.00 0.00 31.44 30.33 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 2.93 3.97 3.31 0.62 0.00 -0.36 -3.26 105.19 112.41 1o5p n GLY 75 Ca 0.23 -1.59 -0.61 0.00 0.00 0.00 0.00 46.02 44.05 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 1.18 1.34 -3.08 1.61 3.01 -0.32 -2.18 117.46 119.02 1o5p n PHE 76 Ca 0.44 0.88 -0.40 0.00 1.01 0.00 0.00 57.45 59.38 1o5p n PHE 76 Cb 0.63 -2.18 -0.05 0.00 -0.01 0.00 0.00 39.48 37.88 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 4.63 4.24 -0.30 4.37 2.96 -0.73 -1.90 118.68 131.95 1o5p s LEU 77 Ca 1.10 1.03 -0.02 0.00 -0.22 0.00 0.00 54.13 56.02 1o5p s LEU 77 Cb -1.44 -3.00 -0.03 0.00 0.50 0.00 0.00 46.19 42.22 1o5p s LEU 77 CO 0.69 -0.19 1.40 0.33 -1.32 0.00 0.00 176.35 177.27 1o5p n PHE 78 N 4.37 0.45 -2.00 5.38 7.35 -1.23 -2.91 117.46 128.88 1o5p n PHE 78 Ca -0.01 -0.96 0.00 0.00 -0.76 0.00 0.00 57.45 55.72 1o5p n PHE 78 Cb 0.50 -0.97 0.00 0.00 0.35 0.00 0.00 39.48 39.37 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 4.37 0.00 0.00 -2.13 2.03 -1.26 -4.98 116.55 114.58 1o5p n ASP 79 Ca 0.16 -1.02 0.00 0.00 0.52 0.00 0.00 54.79 54.45 1o5p n ASP 79 Cb 0.08 -0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.47 1o5p n ASP 79 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1o5p n GLY 80 N 0.00 2.81 3.95 0.27 0.00 -1.14 -4.99 105.19 106.09 1o5p n GLY 80 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.10 4.99 -0.13 2.61 -4.23 -1.26 -4.97 115.64 111.56 1o5p s THR 81 Ca 0.00 -0.55 -0.04 0.00 -1.18 0.00 0.00 61.69 59.92 1o5p s THR 81 Cb 0.00 -3.81 -0.04 0.00 1.34 0.00 0.00 72.50 69.99 1o5p s THR 81 CO 0.00 -0.50 0.03 0.00 -0.54 0.00 0.00 174.62 173.61 1o5p s ARG 82 N -4.29 3.48 0.41 3.99 1.70 -1.26 -1.78 118.95 121.20 1o5p s ARG 82 Ca 0.40 -0.38 0.23 0.00 -0.47 0.00 0.00 55.73 55.51 1o5p s ARG 82 Cb -0.10 -2.99 0.30 0.00 -0.57 0.00 0.00 34.95 31.59 1o5p s ARG 82 CO 0.35 0.48 1.54 2.35 -1.08 0.00 0.00 175.30 178.95 1o5p h TRP 83 N 5.93 0.00 0.00 5.89 7.01 -1.76 -3.46 115.95 129.56 1o5p h TRP 83 Ca -0.43 0.00 0.00 0.00 2.11 0.00 0.00 58.89 60.57 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 0.60 0.00 0.00 0.41 -2.79 0.00 0.00 178.44 176.66 1o5p n GLY 84 N 1.11 1.68 3.61 2.65 0.00 -1.26 -4.92 105.19 108.05 1o5p n GLY 84 Ca 0.04 -2.17 -0.43 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 -1.64 3.17 -0.62 2.61 -4.23 -1.26 -1.22 115.64 112.46 1o5p s THR 85 Ca 0.00 0.18 -0.26 0.00 -1.18 0.00 0.00 61.69 60.43 1o5p s THR 85 Cb 0.00 -3.21 0.04 0.00 1.34 0.00 0.00 72.50 70.67 1o5p s THR 85 CO 0.00 -0.12 1.10 -0.69 -0.54 0.00 0.00 174.62 174.37 1o5p s VAL 86 N 7.35 4.11 -0.26 2.29 1.01 -0.53 -4.73 120.40 129.65 1o5p s VAL 86 Ca 0.92 0.43 -0.28 0.00 0.00 0.00 0.00 61.98 63.05 1o5p s VAL 86 Cb -0.31 -4.70 -0.03 0.00 0.00 0.00 0.00 36.38 31.34 1o5p s VAL 86 CO 0.35 -1.39 1.88 -1.81 0.00 0.00 0.00 175.10 174.13 1o5p s ASP 87 N 3.18 5.90 0.00 3.32 1.11 -1.26 -1.85 116.67 127.07 1o5p s ASP 87 Ca 0.34 1.59 0.06 0.00 0.18 0.00 0.00 52.55 54.73 1o5p s ASP 87 Cb -0.10 -2.52 0.31 0.00 1.07 0.00 0.00 42.92 41.67 1o5p s ASP 87 CO 0.19 -1.66 1.02 0.00 1.18 0.00 0.00 175.17 175.90 1o5p n THR 89 N -1.26 0.08 -0.02 0.00 -2.24 -1.26 -4.19 114.28 105.40 1o5p n THR 89 Ca 0.03 -0.24 -0.04 0.00 -2.27 0.00 0.00 64.05 61.53 1o5p n THR 89 Cb 0.05 0.27 -0.01 0.00 -2.10 0.00 0.00 70.33 68.53 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 0.02 0.38 -3.31 4.28 -2.24 -0.11 -5.07 114.28 108.23 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 0.29 -1.58 0.05 0.00 -2.10 0.00 0.00 70.33 66.99 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 -2.09 4.66 -0.31 6.98 0.00 -1.17 -5.09 121.76 124.75 1o5p s ALA 91 Ca -0.06 -1.88 -0.10 0.00 0.00 0.00 0.00 51.96 49.92 1o5p s ALA 91 Cb 0.02 -1.22 -0.02 0.00 0.00 0.00 0.00 23.12 21.91 1o5p s ALA 91 CO 0.08 -0.78 0.16 0.00 0.00 0.00 0.00 175.76 175.22 1o5p s ALA 92 N -2.73 3.33 -0.26 0.00 0.00 -1.26 -4.71 121.76 116.12 1o5p s ALA 92 Ca 0.53 -1.33 -0.14 0.00 0.00 0.00 0.00 51.96 51.03 1o5p s ALA 92 Cb -0.04 -2.41 -0.04 0.00 0.00 0.00 0.00 23.12 20.63 1o5p s ALA 92 CO 0.34 -0.83 0.32 0.00 0.00 0.00 0.00 175.76 175.59 1o5p s GLN 94 N 1.89 3.30 -0.40 0.00 -0.21 -0.66 -2.48 119.66 121.09 1o5p s GLN 94 Ca 0.13 -0.37 -0.13 0.00 0.02 0.00 0.00 55.36 55.00 1o5p s GLN 94 Cb -0.16 -3.01 0.03 0.00 1.00 0.00 0.00 33.01 30.87 1o5p s GLN 94 CO 0.10 0.67 0.27 0.08 -2.12 0.00 0.00 175.29 174.29 1o5p s VAL 95 N -1.26 4.99 0.03 1.09 1.01 0.12 -2.29 120.40 124.10 1o5p s VAL 95 Ca 0.25 -0.76 -0.00 0.00 0.00 0.00 0.00 61.98 61.47 1o5p s VAL 95 Cb -0.12 -3.80 0.00 0.00 0.00 0.00 0.00 36.38 32.46 1o5p s VAL 95 CO 0.16 -0.30 0.04 0.61 0.00 0.00 0.00 175.10 175.62 1o5p n GLY 96 N 5.10 3.13 3.73 4.51 0.00 -1.06 0.29 105.19 120.90 1o5p n GLY 96 Ca -0.11 -1.43 -0.32 0.00 0.00 0.00 0.00 46.02 44.16 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 2.21 -0.09 0.99 1.02 -1.23 -2.14 118.68 119.44 1o5p s LEU 97 Ca 0.03 -1.68 -0.31 0.00 0.02 0.00 0.00 54.13 52.18 1o5p s LEU 97 Cb -0.00 -0.62 0.11 0.00 0.02 0.00 0.00 46.19 45.70 1o5p s LEU 97 CO 0.02 -0.90 1.39 -0.44 0.02 0.00 0.00 176.35 176.44 1o5p s SER 98 N -3.85 -0.00 0.00 2.29 0.01 -0.32 -4.23 113.70 107.60 1o5p s SER 98 Ca 0.07 -0.02 0.00 0.00 1.31 0.00 0.00 55.95 57.30 1o5p s SER 98 Cb 0.01 0.02 0.00 0.00 0.21 0.00 0.00 66.02 66.26 1o5p s SER 98 CO 0.04 -0.04 0.00 -0.90 0.41 0.00 0.00 173.24 172.75 1o5p n ASP 99 N -0.85 1.15 -1.57 2.44 5.75 -1.25 0.27 116.55 122.49 1o5p n ASP 99 Ca 0.01 0.00 -0.15 0.00 -0.01 0.00 0.00 54.79 54.65 1o5p n ASP 99 Cb 0.60 0.00 0.10 0.00 -1.03 0.00 0.00 41.12 40.78 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 4.68 -0.05 2.12 0.00 -1.26 -4.62 120.51 118.38 1o5p n ALA 100 Ca 0.00 -3.57 -0.05 0.00 0.00 0.00 0.00 53.44 49.82 1o5p n ALA 100 Cb 0.00 -0.48 -0.06 0.00 0.00 0.00 0.00 19.45 18.91 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 -0.88 1.78 0.00 0.00 0.00 -1.26 -5.01 120.51 115.14 1o5p n ALA 101 Ca 0.37 -0.55 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1o5p n ALA 101 Cb 0.88 0.11 0.00 0.00 0.00 0.00 0.00 19.45 20.45 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 2.60 1.05 2.72 0.00 0.00 -1.26 -5.14 105.19 105.16 1o5p n GLY 102 Ca -0.16 -0.07 -0.03 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.30 -0.14 1.61 5.03 -1.26 -5.01 115.26 114.18 1o5p n ASN 103 Ca 0.00 -1.73 0.00 0.00 0.87 0.00 0.00 54.58 53.72 1o5p n ASN 103 Cb 0.00 2.13 0.00 0.00 -1.02 0.00 0.00 39.78 40.89 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 -0.49 1.96 2.99 7.41 0.00 -1.26 -3.88 105.19 111.92 1o5p n GLY 104 Ca -0.02 -0.72 -0.19 0.00 0.00 0.00 0.00 46.02 45.08 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 -1.38 -0.61 1.61 -0.02 -1.26 -4.91 135.00 128.42 1o5p n PRO 105 Ca 0.00 -0.41 0.00 0.00 -2.02 0.00 0.00 63.50 61.07 1o5p n PRO 105 Cb 0.00 -1.33 0.00 0.00 -0.02 0.00 0.00 33.50 32.15 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 -0.40 0.88 -4.45 -0.52 0.28 -1.26 -4.61 120.64 110.57 1o5p n GLU 106 Ca 0.03 0.00 -0.22 0.00 -0.16 0.00 0.00 57.16 56.81 1o5p n GLU 106 Cb 0.37 0.00 -0.10 0.00 1.43 0.00 0.00 31.44 33.14 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 -2.16 1.85 -0.19 -1.84 0.00 -1.26 -3.50 107.32 100.22 1o5p s GLY 107 Ca 0.00 -1.90 -0.11 0.00 0.00 0.00 0.00 44.72 42.71 1o5p s GLY 107 CO 0.00 -1.89 0.17 0.14 0.00 0.00 0.00 173.10 171.52 1o5p s VAL 108 N -2.86 5.38 -0.16 1.40 1.01 0.15 -4.71 120.40 120.62 1o5p s VAL 108 Ca 0.29 0.27 -0.29 0.00 0.00 0.00 0.00 61.98 62.25 1o5p s VAL 108 Cb 0.02 -3.51 -0.02 0.00 0.00 0.00 0.00 36.38 32.86 1o5p s VAL 108 CO 0.12 0.42 1.40 0.00 0.00 0.00 0.00 175.10 177.05 1o5p s ALA 109 N 0.44 3.58 0.42 5.51 0.00 -1.26 0.16 121.76 130.61 1o5p s ALA 109 Ca 0.10 0.55 0.06 0.00 0.00 0.00 0.00 51.96 52.66 1o5p s ALA 109 Cb -0.12 -3.69 0.01 0.00 0.00 0.00 0.00 23.12 19.32 1o5p s ALA 109 CO -0.00 -1.37 0.59 0.96 0.00 0.00 0.00 175.76 175.93 1o5p s ILE 110 N 3.91 3.36 0.12 0.00 -4.36 -1.03 -4.84 121.20 118.35 1o5p s ILE 110 Ca 0.61 -0.88 0.04 0.00 -0.26 0.00 0.00 60.65 60.16 1o5p s ILE 110 Cb -0.24 -3.17 -0.04 0.00 1.25 0.00 0.00 42.46 40.25 1o5p s ILE 110 CO 0.21 -0.08 -0.10 -0.55 0.24 0.00 0.00 174.94 174.65 1o5p s SER 111 N -4.30 1.61 -0.13 4.36 0.15 0.19 -4.68 113.70 110.91 1o5p s SER 111 Ca 0.52 -0.88 -0.01 0.00 0.70 0.00 0.00 55.95 56.27 1o5p s SER 111 Cb -0.10 -0.00 0.03 0.00 -1.71 0.00 0.00 66.02 64.24 1o5p s SER 111 CO 0.34 -0.28 -0.03 -0.36 1.20 0.00 0.00 173.24 174.11 1o5p s PHE 112 N -2.73 1.26 -2.00 3.44 0.08 -1.26 -2.89 117.98 113.88 1o5p s PHE 112 Ca 0.10 -0.69 0.08 0.00 0.12 0.00 0.00 56.93 56.54 1o5p s PHE 112 Cb -0.01 -1.11 0.50 0.00 -0.57 0.00 0.00 43.02 41.83 1o5p s PHE 112 CO 0.00 -0.50 0.95 0.27 -0.10 0.00 0.00 175.22 175.84