#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 2.93 0.86 0.00 0.00 -1.26 -4.76 121.76 119.54 1o5p s ALA 2 Ca 0.00 -0.25 -0.12 0.00 0.00 0.00 0.00 51.96 51.60 1o5p s ALA 2 Cb 0.00 -3.05 0.12 0.00 0.00 0.00 0.00 23.12 20.19 1o5p s ALA 2 CO 0.00 -1.02 1.18 -2.14 0.00 0.00 0.00 175.76 173.78 1o5p s PRO 3 N -5.29 1.29 0.03 0.00 0.02 -0.57 -4.30 135.00 126.19 1o5p s PRO 3 Ca 0.57 1.66 -0.28 0.00 0.02 0.00 0.00 61.00 62.97 1o5p s PRO 3 Cb -0.11 -1.75 0.09 0.00 0.02 0.00 0.00 34.50 32.76 1o5p s PRO 3 CO 0.53 -2.45 0.84 0.95 -0.33 0.00 0.00 177.00 176.54 1o5p s THR 4 N -2.40 0.00 -0.13 0.99 -4.23 1.02 -4.85 115.64 106.04 1o5p s THR 4 Ca 0.70 -0.03 -0.06 0.00 -1.18 0.00 0.00 61.69 61.11 1o5p s THR 4 Cb -0.26 -1.05 0.05 0.00 1.34 0.00 0.00 72.50 72.59 1o5p s THR 4 CO 0.54 0.00 0.29 0.00 -0.54 0.00 0.00 174.62 174.92 1o5p s ALA 5 N -3.23 -0.69 -0.43 3.99 0.00 -1.26 0.23 121.76 120.37 1o5p s ALA 5 Ca 0.05 1.13 -0.11 0.00 0.00 0.00 0.00 51.96 53.03 1o5p s ALA 5 Cb -0.01 -0.77 0.08 0.00 0.00 0.00 0.00 23.12 22.42 1o5p s ALA 5 CO -0.09 -0.28 0.29 0.95 0.00 0.00 0.00 175.76 176.63 1o5p s THR 6 N 1.47 4.47 -0.18 0.00 -4.23 -0.20 -4.79 115.64 112.18 1o5p s THR 6 Ca -0.08 -1.33 0.01 0.00 -1.18 0.00 0.00 61.69 59.11 1o5p s THR 6 Cb -0.10 -3.72 0.02 0.00 1.34 0.00 0.00 72.50 70.04 1o5p s THR 6 CO -0.10 -0.53 -0.20 -0.69 -0.54 0.00 0.00 174.62 172.57 1o5p s VAL 7 N 1.47 2.04 -0.10 2.29 1.01 -1.24 0.12 120.40 125.99 1o5p s VAL 7 Ca 0.03 -0.93 -0.31 0.00 0.00 0.00 0.00 61.98 60.77 1o5p s VAL 7 Cb -0.23 -1.85 0.10 0.00 0.00 0.00 0.00 36.38 34.39 1o5p s VAL 7 CO 0.03 0.53 0.82 -0.89 0.00 0.00 0.00 175.10 175.60 1o5p s THR 8 N 1.30 0.00 0.56 3.92 2.01 -0.79 -4.39 115.64 118.24 1o5p s THR 8 Ca 0.05 0.00 -0.17 0.00 0.31 0.00 0.00 61.69 61.88 1o5p s THR 8 Cb -0.13 -1.00 -0.05 0.00 0.01 0.00 0.00 72.50 71.33 1o5p s THR 8 CO -0.13 0.00 1.04 -2.16 -0.69 0.00 0.00 174.62 172.69 1o5p s PRO 9 N -1.17 3.51 0.01 4.92 0.05 -1.26 -1.19 135.00 139.88 1o5p s PRO 9 Ca -0.07 1.21 0.20 0.00 0.05 0.00 0.00 61.00 62.39 1o5p s PRO 9 Cb -0.00 -2.06 -0.20 0.00 0.05 0.00 0.00 34.50 32.29 1o5p s PRO 9 CO 0.06 -0.66 0.62 0.43 0.05 0.00 0.00 177.00 177.51 1o5p n SER 10 N -1.73 0.43 -4.25 6.66 7.64 -1.26 -4.81 113.62 116.30 1o5p n SER 10 Ca 0.09 0.18 -0.14 0.00 1.01 0.00 0.00 58.87 60.01 1o5p n SER 10 Cb 0.53 0.96 -0.10 0.00 -1.01 0.00 0.00 64.21 64.59 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 -5.24 1.32 -0.35 6.43 0.01 -1.26 0.65 113.70 115.26 1o5p s SER 11 Ca -0.05 -1.17 -0.01 0.00 1.31 0.00 0.00 55.95 56.03 1o5p s SER 11 Cb 0.10 0.10 0.00 0.00 0.21 0.00 0.00 66.02 66.43 1o5p s SER 11 CO 0.84 -0.55 0.19 0.61 0.41 0.00 0.00 173.24 174.74 1o5p n GLY 12 N -0.26 0.47 0.12 3.44 0.00 -1.18 -4.90 105.19 102.89 1o5p n GLY 12 Ca -0.07 -0.53 -0.22 0.00 0.00 0.00 0.00 46.02 45.20 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 -1.28 2.16 -1.52 0.99 4.77 -1.26 -5.05 117.00 115.80 1o5p n LEU 13 Ca -0.02 0.34 0.00 0.00 -0.03 0.00 0.00 56.01 56.31 1o5p n LEU 13 Cb 0.52 -1.03 0.00 0.00 -2.33 0.00 0.00 43.42 40.59 1o5p n LEU 13 CO 0.12 0.50 -0.46 -0.24 -1.33 0.00 0.00 177.39 175.98 1o5p n SER 14 N -4.07 -8.22 -4.45 -1.43 2.88 -1.26 -3.69 113.62 93.38 1o5p n SER 14 Ca -0.32 1.71 -0.50 0.00 -1.33 0.00 0.00 58.87 58.43 1o5p n SER 14 Cb 0.82 -4.84 -0.07 0.00 -0.75 0.00 0.00 64.21 59.38 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 -2.27 2.15 0.00 -3.46 5.75 -1.26 -2.12 116.55 115.33 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 0.38 -1.28 0.00 0.00 -1.03 0.00 0.00 41.12 39.20 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 6.51 1.44 2.11 6.12 0.00 -1.26 -5.05 105.19 115.06 1o5p n GLY 16 Ca 0.41 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.32 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 -0.61 0.00 -4.37 2.61 5.66 -0.90 -4.97 114.28 111.70 1o5p n THR 17 Ca 0.00 -1.07 -0.19 0.00 -3.05 0.00 0.00 64.05 59.74 1o5p n THR 17 Cb 0.00 -0.66 -0.15 0.00 -1.55 0.00 0.00 70.33 67.96 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 -1.03 0.73 0.18 1.08 1.01 -1.26 -2.03 120.40 119.09 1o5p s VAL 18 Ca 0.31 -0.36 0.10 0.00 0.00 0.00 0.00 61.98 62.02 1o5p s VAL 18 Cb -0.02 -0.64 -0.04 0.00 0.00 0.00 0.00 36.38 35.67 1o5p s VAL 18 CO 0.19 0.22 -0.17 0.68 0.00 0.00 0.00 175.10 176.03 1o5p s VAL 19 N 0.01 2.80 -0.34 2.92 -7.23 0.18 -4.67 120.40 114.07 1o5p s VAL 19 Ca -0.00 -1.80 -0.06 0.00 -1.81 0.00 0.00 61.98 58.31 1o5p s VAL 19 Cb -0.06 -2.36 0.05 0.00 0.56 0.00 0.00 36.38 34.57 1o5p s VAL 19 CO 0.00 -0.09 0.10 -0.75 -0.31 0.00 0.00 175.10 174.05 1o5p s LYS 20 N -2.69 2.56 -0.23 4.82 2.20 -0.33 -0.66 119.74 125.41 1o5p s LYS 20 Ca 0.22 -1.24 -0.07 0.00 -0.36 0.00 0.00 55.97 54.53 1o5p s LYS 20 Cb -0.09 -3.44 -0.03 0.00 -1.51 0.00 0.00 37.83 32.76 1o5p s LYS 20 CO 0.12 -0.69 0.06 0.54 -0.36 0.00 0.00 175.35 175.02 1o5p s VAL 21 N 1.37 4.36 0.35 4.02 0.11 -0.85 -1.89 120.40 127.87 1o5p s VAL 21 Ca -0.01 -0.16 0.08 0.00 -2.93 0.00 0.00 61.98 58.96 1o5p s VAL 21 Cb -0.20 -3.02 -0.05 0.00 -1.53 0.00 0.00 36.38 31.59 1o5p s VAL 21 CO 0.02 0.37 0.11 0.00 -3.33 0.00 0.00 175.10 172.27 1o5p s ALA 22 N 1.30 3.42 -0.21 1.54 0.00 0.32 -2.27 121.76 125.86 1o5p s ALA 22 Ca 0.05 -1.92 -0.04 0.00 0.00 0.00 0.00 51.96 50.05 1o5p s ALA 22 Cb -0.15 -0.56 0.09 0.00 0.00 0.00 0.00 23.12 22.51 1o5p s ALA 22 CO 0.03 0.01 0.19 0.20 0.00 0.00 0.00 175.76 176.19 1o5p s GLY 23 N -3.81 0.12 -0.03 0.00 0.00 0.23 -1.04 107.32 102.79 1o5p s GLY 23 Ca 0.37 -0.06 0.06 0.00 0.00 0.00 0.00 44.72 45.09 1o5p s GLY 23 CO 0.22 2.08 -0.19 0.00 0.00 0.00 0.00 173.10 175.21 1o5p s ALA 24 N 2.26 2.49 0.00 3.20 0.00 0.63 0.63 121.76 130.98 1o5p s ALA 24 Ca 0.06 -1.06 0.00 0.00 0.00 0.00 0.00 51.96 50.96 1o5p s ALA 24 Cb -0.16 -0.80 0.00 0.00 0.00 0.00 0.00 23.12 22.16 1o5p s ALA 24 CO -0.15 0.55 0.00 0.41 0.00 0.00 0.00 175.76 176.57 1o5p n GLY 25 N 2.23 0.67 3.99 0.00 0.00 -0.92 0.34 105.19 111.50 1o5p n GLY 25 Ca -0.17 -0.73 -0.22 0.00 0.00 0.00 0.00 46.02 44.90 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 3.09 -0.84 0.99 1.43 -0.83 -1.51 118.68 121.01 1o5p s LEU 26 Ca 0.00 -0.27 -0.28 0.00 -1.03 0.00 0.00 54.13 52.55 1o5p s LEU 26 Cb 0.00 -2.28 -0.18 0.00 0.03 0.00 0.00 46.19 43.77 1o5p s LEU 26 CO 0.00 -1.57 2.58 0.00 0.23 0.00 0.00 176.35 177.59 1o5p n GLN 27 N -2.62 0.33 -1.20 1.70 3.00 -1.26 -4.13 117.38 113.19 1o5p n GLN 27 Ca 0.13 -0.03 -0.20 0.00 -0.01 0.00 0.00 57.00 56.89 1o5p n GLN 27 Cb 0.60 -2.12 -0.10 0.00 0.00 0.00 0.00 30.24 28.62 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 12.10 0.38 0.00 -1.58 0.00 -1.24 -1.30 120.51 128.87 1o5p n ALA 28 Ca 0.57 -2.12 0.00 0.00 0.00 0.00 0.00 53.44 51.89 1o5p n ALA 28 Cb 0.20 -2.96 0.00 0.00 0.00 0.00 0.00 19.45 16.70 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 5.52 0.46 2.78 0.00 0.00 0.93 -4.82 105.19 110.06 1o5p n GLY 29 Ca 0.36 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.20 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 -0.58 -0.33 -0.12 2.61 -4.23 -0.42 -4.88 115.64 107.69 1o5p s THR 30 Ca 0.00 -0.03 -0.40 0.00 -1.18 0.00 0.00 61.69 60.08 1o5p s THR 30 Cb 0.00 -0.62 -0.17 0.00 1.34 0.00 0.00 72.50 73.05 1o5p s THR 30 CO 0.00 -0.14 1.45 0.00 -0.54 0.00 0.00 174.62 175.39 1o5p n ALA 31 N 5.32 -1.24 -2.47 3.99 0.00 -1.26 -2.73 120.51 122.13 1o5p n ALA 31 Ca -0.05 0.49 -0.29 0.00 0.00 0.00 0.00 53.44 53.59 1o5p n ALA 31 Cb 0.50 -2.05 -0.11 0.00 0.00 0.00 0.00 19.45 17.78 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 1.68 2.47 0.12 0.00 2.02 0.15 -4.30 117.35 119.48 1o5p s TYR 32 Ca 0.93 -0.30 0.02 0.00 -0.37 0.00 0.00 57.07 57.35 1o5p s TYR 32 Cb -1.11 -1.29 -0.04 0.00 -0.40 0.00 0.00 41.96 39.12 1o5p s TYR 32 CO 0.59 0.41 0.22 -0.51 -1.57 0.00 0.00 175.55 174.69 1o5p s ASP 33 N -2.28 6.14 -0.13 2.29 1.11 0.70 -1.85 116.67 122.66 1o5p s ASP 33 Ca 0.18 0.13 -0.02 0.00 0.18 0.00 0.00 52.55 53.02 1o5p s ASP 33 Cb -0.10 -1.81 0.04 0.00 1.07 0.00 0.00 42.92 42.12 1o5p s ASP 33 CO 0.10 0.10 0.03 0.54 1.18 0.00 0.00 175.17 177.12 1o5p s VAL 34 N -1.65 0.31 0.23 -1.27 0.11 -0.92 -0.71 120.40 116.50 1o5p s VAL 34 Ca 0.34 -0.12 -0.16 0.00 -2.93 0.00 0.00 61.98 59.10 1o5p s VAL 34 Cb -0.11 -0.67 0.06 0.00 -1.53 0.00 0.00 36.38 34.12 1o5p s VAL 34 CO 0.27 0.01 0.80 0.61 -3.33 0.00 0.00 175.10 173.46 1o5p n GLY 35 N 5.15 0.87 3.40 6.54 0.00 -0.92 -0.52 105.19 119.71 1o5p n GLY 35 Ca -0.07 -1.16 -0.42 0.00 0.00 0.00 0.00 46.02 44.37 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 -2.06 2.87 0.06 1.61 -2.07 -1.26 -2.54 119.66 116.27 1o5p s GLN 36 Ca 0.17 -1.11 0.05 0.00 -1.82 0.00 0.00 55.36 52.65 1o5p s GLN 36 Cb -0.03 -3.87 -0.03 0.00 -1.09 0.00 0.00 33.01 27.99 1o5p s GLN 36 CO 0.07 -0.77 -0.14 0.00 -1.32 0.00 0.00 175.29 173.13 1o5p s ALA 38 N -1.19 1.86 -0.35 0.00 0.00 -0.80 -1.75 121.76 119.54 1o5p s ALA 38 Ca -0.02 -0.94 -0.17 0.00 0.00 0.00 0.00 51.96 50.83 1o5p s ALA 38 Cb -0.10 -0.51 -0.01 0.00 0.00 0.00 0.00 23.12 22.51 1o5p s ALA 38 CO 0.02 0.43 0.45 -1.58 0.00 0.00 0.00 175.76 175.08 1o5p s TRP 39 N -0.40 3.19 -0.84 0.00 0.51 -1.26 -1.83 118.94 118.32 1o5p s TRP 39 Ca 0.05 0.07 0.16 0.00 -2.12 0.00 0.00 56.10 54.27 1o5p s TRP 39 Cb -0.10 -2.82 0.59 0.00 -0.81 0.00 0.00 33.47 30.33 1o5p s TRP 39 CO 0.00 -0.50 1.50 1.33 -0.51 0.00 0.00 176.95 178.77 1o5p n VAL 40 N 5.35 1.78 -1.35 4.03 0.24 -0.90 -4.75 118.33 122.74 1o5p n VAL 40 Ca -0.07 -1.32 0.00 0.00 -2.04 0.00 0.00 64.34 60.91 1o5p n VAL 40 Cb 0.49 0.11 0.00 0.00 -1.47 0.00 0.00 33.84 32.97 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 0.60 0.00 -4.55 -1.34 8.00 -1.26 -4.95 116.55 113.04 1o5p n ASP 41 Ca 0.22 0.00 -0.37 0.00 0.71 0.00 0.00 54.79 55.34 1o5p n ASP 41 Cb 0.80 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.87 1o5p n ASP 41 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1o5p s THR 42 N -2.41 3.44 0.00 -3.53 -1.32 -1.26 -2.85 115.64 107.71 1o5p s THR 42 Ca 0.00 0.13 0.00 0.00 -1.21 0.00 0.00 61.69 60.61 1o5p s THR 42 Cb 0.00 -4.15 0.00 0.00 -1.51 0.00 0.00 72.50 66.84 1o5p s THR 42 CO 0.00 -1.11 0.00 0.61 -2.21 0.00 0.00 174.62 171.91 1o5p n GLY 43 N 5.84 0.70 3.11 6.08 0.00 -1.26 -5.05 105.19 114.61 1o5p n GLY 43 Ca 0.21 -0.72 -0.34 0.00 0.00 0.00 0.00 46.02 45.17 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 2.70 -0.33 1.61 1.01 -1.13 -4.98 120.40 117.28 1o5p s VAL 44 Ca 0.00 -1.74 0.01 0.00 0.00 0.00 0.00 61.98 60.25 1o5p s VAL 44 Cb 0.00 -2.69 0.08 0.00 0.00 0.00 0.00 36.38 33.77 1o5p s VAL 44 CO 0.00 -0.28 0.03 -0.22 0.00 0.00 0.00 175.10 174.63 1o5p s LEU 45 N 1.13 4.36 -0.43 3.92 2.96 -1.26 -2.11 118.68 127.25 1o5p s LEU 45 Ca -0.01 -1.75 -0.17 0.00 -0.22 0.00 0.00 54.13 51.98 1o5p s LEU 45 Cb -0.20 -1.67 0.03 0.00 0.50 0.00 0.00 46.19 44.84 1o5p s LEU 45 CO -0.04 -0.34 0.40 0.00 -1.32 0.00 0.00 176.35 175.05 1o5p s ALA 46 N 1.08 3.45 0.37 5.97 0.00 -0.76 -3.42 121.76 128.45 1o5p s ALA 46 Ca 0.02 -1.62 0.07 0.00 0.00 0.00 0.00 51.96 50.43 1o5p s ALA 46 Cb -0.20 -3.02 -0.02 0.00 0.00 0.00 0.00 23.12 19.88 1o5p s ALA 46 CO -0.05 -1.58 0.35 0.00 0.00 0.00 0.00 175.76 174.48 1o5p s ASN 48 N -4.08 4.59 0.00 0.00 3.84 -0.79 -1.19 114.94 117.32 1o5p s ASN 48 Ca 0.44 -0.19 0.00 0.00 0.21 0.00 0.00 52.86 53.33 1o5p s ASN 48 Cb -0.06 -1.74 0.00 0.00 -0.55 0.00 0.00 41.25 38.90 1o5p s ASN 48 CO 0.28 0.16 0.38 -0.81 -2.79 0.00 0.00 177.10 174.32 1o5p n PRO 49 N 3.57 0.62 -0.05 0.43 -0.05 -1.26 -2.93 135.00 135.33 1o5p n PRO 49 Ca -0.18 0.00 0.06 0.00 -0.05 0.00 0.00 63.50 63.33 1o5p n PRO 49 Cb 0.52 -1.28 0.07 0.00 -0.05 0.00 0.00 33.50 32.77 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 0.31 2.40 -1.72 0.55 0.00 -1.26 -4.40 120.51 116.39 1o5p n ALA 50 Ca 0.00 -0.73 0.01 0.00 0.00 0.00 0.00 53.44 52.71 1o5p n ALA 50 Cb 0.19 -0.39 0.01 0.00 0.00 0.00 0.00 19.45 19.26 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 0.59 0.16 -4.55 0.00 5.68 -1.15 -2.48 116.55 114.81 1o5p n ASP 51 Ca 0.08 -1.86 -0.41 0.00 -0.50 0.00 0.00 54.79 52.10 1o5p n ASP 51 Cb 0.32 -0.17 -0.03 0.00 -1.14 0.00 0.00 41.12 40.10 1o5p n ASP 51 CO 0.00 0.00 0.00 -0.36 -1.33 0.00 0.00 177.20 175.51 1o5p s PHE 52 N -0.18 2.49 0.00 2.11 0.40 -1.25 -3.23 117.98 118.33 1o5p s PHE 52 Ca 0.02 -0.64 0.00 0.00 -0.60 0.00 0.00 56.93 55.71 1o5p s PHE 52 Cb 0.02 -4.65 0.00 0.00 0.51 0.00 0.00 43.02 38.90 1o5p s PHE 52 CO 0.00 -1.95 0.00 0.43 0.70 0.00 0.00 175.22 174.40 1o5p n SER 53 N 8.87 1.31 0.00 1.36 7.64 0.33 -4.94 113.62 128.19 1o5p n SER 53 Ca 0.23 -0.78 0.00 0.00 1.01 0.00 0.00 58.87 59.33 1o5p n SER 53 Cb 0.50 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.70 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 -1.31 0.00 -3.62 6.43 2.88 -1.26 -2.17 113.62 114.57 1o5p n SER 54 Ca 0.00 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.42 1o5p n SER 54 Cb 0.00 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.41 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 -0.68 0.05 0.01 2.46 0.11 -0.77 -4.96 120.40 116.62 1o5p s VAL 55 Ca 0.00 -0.43 -0.06 0.00 -2.93 0.00 0.00 61.98 58.56 1o5p s VAL 55 Cb 0.00 -1.04 -0.05 0.00 -1.53 0.00 0.00 36.38 33.76 1o5p s VAL 55 CO 0.00 -0.24 0.26 -0.89 -3.33 0.00 0.00 175.10 170.90 1o5p s THR 56 N -3.06 5.32 -0.37 5.04 2.01 -1.26 0.29 115.64 123.61 1o5p s THR 56 Ca -0.02 0.12 -0.28 0.00 0.31 0.00 0.00 61.69 61.83 1o5p s THR 56 Cb 0.00 -3.56 -0.03 0.00 0.01 0.00 0.00 72.50 68.92 1o5p s THR 56 CO -0.07 0.36 1.98 0.00 -0.69 0.00 0.00 174.62 176.20 1o5p s ALA 57 N -1.30 2.57 0.00 7.40 0.00 -1.10 -4.71 121.76 124.61 1o5p s ALA 57 Ca 0.28 0.20 0.00 0.00 0.00 0.00 0.00 51.96 52.43 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 0.16 -3.10 0.00 -3.47 0.00 0.00 0.00 175.76 169.35 1o5p n ASP 58 N 11.70 0.00 -0.12 0.00 -0.08 -1.26 0.31 116.55 127.10 1o5p n ASP 58 Ca 0.26 0.00 -0.05 0.00 -1.51 0.00 0.00 54.79 53.49 1o5p n ASP 58 Cb 0.48 0.00 0.02 0.00 2.34 0.00 0.00 41.12 43.96 1o5p n ASP 58 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1o5p h ALA 59 N -2.00 0.20 0.00 -1.67 0.00 -1.92 -3.11 119.26 110.76 1o5p h ALA 59 Ca 0.00 0.15 -0.30 0.00 0.00 0.00 0.00 54.91 54.76 1o5p h ALA 59 Cb 0.00 0.38 -0.06 0.00 0.00 0.00 0.00 17.79 18.12 1o5p h ALA 59 CO 0.00 -0.50 -2.14 -1.71 0.00 0.00 0.00 179.25 174.90 1o5p n ASN 60 N -5.34 1.57 0.00 0.00 2.85 -1.26 -4.56 115.26 108.51 1o5p n ASN 60 Ca 0.02 -0.05 0.00 0.00 -0.11 0.00 0.00 54.58 54.45 1o5p n ASN 60 Cb 0.25 0.40 0.00 0.00 1.24 0.00 0.00 39.78 41.67 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 2.21 0.73 3.57 8.20 0.00 -1.18 -1.96 105.19 116.77 1o5p n GLY 61 Ca -0.31 -0.76 -0.36 0.00 0.00 0.00 0.00 46.02 44.60 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 -1.28 5.59 -0.20 1.61 0.01 -1.22 -2.16 113.70 116.05 1o5p s SER 62 Ca 0.00 -0.01 -0.03 0.00 1.31 0.00 0.00 55.95 57.22 1o5p s SER 62 Cb 0.00 -1.99 0.06 0.00 0.21 0.00 0.00 66.02 64.30 1o5p s SER 62 CO 0.00 0.07 0.04 0.00 0.41 0.00 0.00 173.24 173.76 1o5p s ALA 63 N 1.02 1.02 -0.23 1.44 0.00 0.20 -4.64 121.76 120.57 1o5p s ALA 63 Ca 0.05 -0.76 -0.01 0.00 0.00 0.00 0.00 51.96 51.24 1o5p s ALA 63 Cb -0.14 -1.21 0.02 0.00 0.00 0.00 0.00 23.12 21.79 1o5p s ALA 63 CO 0.03 -1.22 -0.10 -1.54 0.00 0.00 0.00 175.76 172.94 1o5p s SER 64 N 1.85 4.03 -0.02 0.00 1.04 -1.26 0.74 113.70 120.08 1o5p s SER 64 Ca -0.00 -0.81 -0.02 0.00 0.48 0.00 0.00 55.95 55.61 1o5p s SER 64 Cb -0.17 -1.62 0.01 0.00 0.10 0.00 0.00 66.02 64.34 1o5p s SER 64 CO -0.10 -0.09 0.05 0.28 0.98 0.00 0.00 173.24 174.37 1o5p s THR 65 N 1.31 -0.01 -0.08 2.02 -1.32 -0.96 -4.98 115.64 111.62 1o5p s THR 65 Ca 0.01 0.03 -0.07 0.00 -1.21 0.00 0.00 61.69 60.45 1o5p s THR 65 Cb -0.16 -0.08 -0.04 0.00 -1.51 0.00 0.00 72.50 70.71 1o5p s THR 65 CO -0.06 0.01 0.18 -0.94 -2.21 0.00 0.00 174.62 171.60 1o5p s SER 66 N 0.19 6.44 0.20 8.08 1.04 -1.26 -2.00 113.70 126.38 1o5p s SER 66 Ca -0.01 0.51 -0.03 0.00 0.48 0.00 0.00 55.95 56.89 1o5p s SER 66 Cb -0.02 -2.08 -0.03 0.00 0.10 0.00 0.00 66.02 63.99 1o5p s SER 66 CO -0.01 0.37 0.19 -0.76 0.98 0.00 0.00 173.24 174.01 1o5p s LEU 67 N -1.22 1.05 -0.21 2.42 1.02 0.17 -4.94 118.68 116.97 1o5p s LEU 67 Ca 0.19 -1.28 -0.14 0.00 0.02 0.00 0.00 54.13 52.92 1o5p s LEU 67 Cb -0.13 0.64 -0.04 0.00 0.02 0.00 0.00 46.19 46.68 1o5p s LEU 67 CO 0.08 -0.89 0.30 0.42 0.02 0.00 0.00 176.35 176.28 1o5p s THR 68 N -4.12 5.27 0.01 5.49 -4.23 -1.03 0.51 115.64 117.54 1o5p s THR 68 Ca 0.34 0.50 0.03 0.00 -1.18 0.00 0.00 61.69 61.38 1o5p s THR 68 Cb 0.06 -3.63 -0.01 0.00 1.34 0.00 0.00 72.50 70.25 1o5p s THR 68 CO 0.10 0.31 -0.10 0.68 -0.54 0.00 0.00 174.62 175.08 1o5p s VAL 69 N 1.05 0.74 0.02 2.29 -7.23 -0.86 -4.05 120.40 112.36 1o5p s VAL 69 Ca 0.15 -0.61 0.00 0.00 -1.81 0.00 0.00 61.98 59.71 1o5p s VAL 69 Cb -0.14 -0.66 0.00 0.00 0.56 0.00 0.00 36.38 36.14 1o5p s VAL 69 CO 0.06 0.06 0.03 -2.11 -0.31 0.00 0.00 175.10 172.83 1o5p n ARG 70 N 2.45 0.05 0.00 4.82 1.85 -1.26 -4.07 116.66 120.49 1o5p n ARG 70 Ca -0.16 -0.20 0.00 0.00 -1.00 0.00 0.00 57.85 56.49 1o5p n ARG 70 Cb 0.56 0.19 0.00 0.00 -1.05 0.00 0.00 32.46 32.16 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 -0.04 0.00 -1.71 2.89 1.85 -1.26 -4.70 116.66 113.68 1o5p n ARG 71 Ca 0.00 0.00 -0.43 0.00 -1.00 0.00 0.00 57.85 56.42 1o5p n ARG 71 Cb 0.04 0.00 -0.02 0.00 -1.05 0.00 0.00 32.46 31.43 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 3.24 -3.57 2.89 7.64 -1.26 -2.12 113.62 120.45 1o5p n SER 72 Ca 0.00 1.16 -0.12 0.00 1.01 0.00 0.00 58.87 60.93 1o5p n SER 72 Cb 0.00 -1.51 -0.04 0.00 -1.01 0.00 0.00 64.21 61.64 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 -0.32 -0.34 -0.17 1.43 -0.12 -0.72 -4.83 117.98 112.91 1o5p s PHE 73 Ca 0.63 0.15 -0.38 0.00 -0.05 0.00 0.00 56.93 57.28 1o5p s PHE 73 Cb -0.56 0.35 -0.15 0.00 -0.63 0.00 0.00 43.02 42.03 1o5p s PHE 73 CO 0.53 -0.72 1.72 0.39 -0.05 0.00 0.00 175.22 177.08 1o5p n GLU 74 N -0.08 1.44 -1.33 1.99 -0.58 -1.26 0.20 120.64 121.02 1o5p n GLU 74 Ca -0.17 0.53 -0.23 0.00 -0.42 0.00 0.00 57.16 56.86 1o5p n GLU 74 Cb 0.63 -2.25 -0.06 0.00 -0.57 0.00 0.00 31.44 29.20 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 3.99 4.13 3.42 0.62 0.00 -0.24 -3.17 105.19 113.93 1o5p n GLY 75 Ca 0.24 -1.66 -0.63 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 0.99 1.37 -3.04 1.61 3.01 -0.33 -2.18 117.46 118.89 1o5p n PHE 76 Ca 0.45 0.89 -0.40 0.00 1.01 0.00 0.00 57.45 59.40 1o5p n PHE 76 Cb 0.60 -2.27 -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 5.00 4.24 -0.27 4.37 2.96 -0.75 -1.86 118.68 132.37 1o5p s LEU 77 Ca 1.15 1.09 -0.02 0.00 -0.22 0.00 0.00 54.13 56.13 1o5p s LEU 77 Cb -1.49 -3.05 -0.02 0.00 0.50 0.00 0.00 46.19 42.12 1o5p s LEU 77 CO 0.71 -0.21 1.34 0.33 -1.32 0.00 0.00 176.35 177.21 1o5p n PHE 78 N 4.38 0.40 -1.95 5.38 7.35 -1.22 -2.89 117.46 128.91 1o5p n PHE 78 Ca -0.00 -0.90 0.00 0.00 -0.76 0.00 0.00 57.45 55.79 1o5p n PHE 78 Cb 0.50 -0.92 0.00 0.00 0.35 0.00 0.00 39.48 39.42 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 4.45 0.00 0.00 -2.13 2.03 -1.26 -4.98 116.55 114.66 1o5p n ASP 79 Ca 0.14 -0.95 0.00 0.00 0.52 0.00 0.00 54.79 54.50 1o5p n ASP 79 Cb 0.06 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.46 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 2.85 3.94 0.27 0.00 -1.14 -4.99 105.19 106.11 1o5p n GLY 80 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.09 5.10 -0.15 2.61 -4.23 -1.26 -4.97 115.64 111.66 1o5p s THR 81 Ca 0.00 -0.39 -0.05 0.00 -1.18 0.00 0.00 61.69 60.07 1o5p s THR 81 Cb 0.00 -3.84 -0.04 0.00 1.34 0.00 0.00 72.50 69.96 1o5p s THR 81 CO 0.00 -0.53 0.04 0.00 -0.54 0.00 0.00 174.62 173.59 1o5p s ARG 82 N -4.21 3.64 0.32 3.99 1.70 -1.26 -1.82 118.95 121.32 1o5p s ARG 82 Ca 0.40 -0.37 0.24 0.00 -0.47 0.00 0.00 55.73 55.54 1o5p s ARG 82 Cb -0.10 -3.06 0.39 0.00 -0.57 0.00 0.00 34.95 31.61 1o5p s ARG 82 CO 0.35 0.42 1.53 2.35 -1.08 0.00 0.00 175.30 178.88 1o5p h TRP 83 N 6.16 0.00 0.00 5.89 7.01 -1.77 -3.46 115.95 129.78 1o5p h TRP 83 Ca -0.41 0.00 0.00 0.00 2.11 0.00 0.00 58.89 60.59 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 0.59 0.00 0.00 0.41 -2.79 0.00 0.00 178.44 176.65 1o5p n GLY 84 N 1.18 1.53 3.59 2.65 0.00 -1.26 -4.90 105.19 107.98 1o5p n GLY 84 Ca 0.04 -2.16 -0.42 0.00 0.00 0.00 0.00 46.02 43.48 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 -1.60 3.20 -0.62 2.61 -4.23 -1.26 -1.08 115.64 112.66 1o5p s THR 85 Ca 0.00 0.20 -0.28 0.00 -1.18 0.00 0.00 61.69 60.43 1o5p s THR 85 Cb 0.00 -3.29 0.03 0.00 1.34 0.00 0.00 72.50 70.58 1o5p s THR 85 CO 0.00 -0.20 1.21 -0.69 -0.54 0.00 0.00 174.62 174.40 1o5p s VAL 86 N 8.14 3.95 -0.31 2.29 1.01 0.13 -4.67 120.40 130.94 1o5p s VAL 86 Ca 0.91 0.74 -0.28 0.00 0.00 0.00 0.00 61.98 63.35 1o5p s VAL 86 Cb -0.27 -4.78 -0.04 0.00 0.00 0.00 0.00 36.38 31.30 1o5p s VAL 86 CO 0.33 -1.48 2.05 -1.81 0.00 0.00 0.00 175.10 174.20 1o5p s ASP 87 N 3.18 5.51 0.00 3.32 1.11 -1.26 -1.76 116.67 126.76 1o5p s ASP 87 Ca 0.40 1.48 0.01 0.00 0.18 0.00 0.00 52.55 54.63 1o5p s ASP 87 Cb -0.08 -2.52 0.06 0.00 1.07 0.00 0.00 42.92 41.45 1o5p s ASP 87 CO 0.22 -1.98 0.81 0.00 1.18 0.00 0.00 175.17 175.39 1o5p n THR 89 N -1.26 0.10 -0.05 0.00 -2.24 -1.26 -4.21 114.28 105.37 1o5p n THR 89 Ca 0.01 -0.30 -0.10 0.00 -2.27 0.00 0.00 64.05 61.39 1o5p n THR 89 Cb 0.01 0.44 -0.04 0.00 -2.10 0.00 0.00 70.33 68.64 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 0.25 0.53 -3.61 4.28 -2.24 0.08 -5.06 114.28 108.51 1o5p n THR 90 Ca 0.18 -0.14 -0.24 0.00 -2.27 0.00 0.00 64.05 61.57 1o5p n THR 90 Cb 0.34 -1.55 0.02 0.00 -2.10 0.00 0.00 70.33 67.04 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 -2.18 4.58 -0.36 6.98 0.00 -1.21 -5.09 121.76 124.49 1o5p s ALA 91 Ca -0.13 -1.51 -0.12 0.00 0.00 0.00 0.00 51.96 50.19 1o5p s ALA 91 Cb 0.05 -0.96 0.00 0.00 0.00 0.00 0.00 23.12 22.21 1o5p s ALA 91 CO 0.17 -0.63 0.23 0.00 0.00 0.00 0.00 175.76 175.54 1o5p s ALA 92 N -2.77 3.41 -0.26 0.00 0.00 -1.26 -4.76 121.76 116.13 1o5p s ALA 92 Ca 0.43 -1.54 -0.14 0.00 0.00 0.00 0.00 51.96 50.71 1o5p s ALA 92 Cb -0.03 -2.66 -0.04 0.00 0.00 0.00 0.00 23.12 20.39 1o5p s ALA 92 CO 0.27 -1.17 0.33 0.00 0.00 0.00 0.00 175.76 175.19 1o5p s GLN 94 N 1.80 3.20 -0.40 0.00 -0.21 -0.72 -2.50 119.66 120.83 1o5p s GLN 94 Ca 0.14 -0.46 -0.13 0.00 0.02 0.00 0.00 55.36 54.93 1o5p s GLN 94 Cb -0.15 -2.94 0.03 0.00 1.00 0.00 0.00 33.01 30.95 1o5p s GLN 94 CO 0.09 0.64 0.26 0.08 -2.12 0.00 0.00 175.29 174.24 1o5p s VAL 95 N -1.31 4.82 0.04 1.09 1.01 0.13 -2.23 120.40 123.95 1o5p s VAL 95 Ca 0.27 -0.86 -0.00 0.00 0.00 0.00 0.00 61.98 61.39 1o5p s VAL 95 Cb -0.12 -3.73 0.00 0.00 0.00 0.00 0.00 36.38 32.53 1o5p s VAL 95 CO 0.19 -0.31 0.05 0.61 0.00 0.00 0.00 175.10 175.63 1o5p n GLY 96 N 5.06 3.10 3.25 4.51 0.00 -1.05 0.37 105.19 120.42 1o5p n GLY 96 Ca -0.11 -1.42 -0.28 0.00 0.00 0.00 0.00 46.02 44.21 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 -3.73 0.99 4.32 -1.22 -2.17 117.00 115.19 1o5p n LEU 97 Ca 0.00 -2.78 0.01 0.00 -0.02 0.00 0.00 56.01 53.22 1o5p n LEU 97 Cb 0.06 0.26 -0.00 0.00 -1.62 0.00 0.00 43.42 42.12 1o5p n LEU 97 CO 0.03 -0.42 0.99 -0.55 -1.22 0.00 0.00 177.39 176.22 1o5p s SER 98 N -3.54 -0.06 0.00 -1.43 0.15 0.12 -4.32 113.70 104.62 1o5p s SER 98 Ca 0.04 -0.24 0.00 0.00 0.70 0.00 0.00 55.95 56.45 1o5p s SER 98 Cb -0.00 0.24 0.00 0.00 -1.71 0.00 0.00 66.02 64.55 1o5p s SER 98 CO 0.03 -0.46 0.00 -0.90 1.20 0.00 0.00 173.24 173.11 1o5p n ASP 99 N -0.66 1.48 -1.58 5.45 5.75 -1.23 0.25 116.55 126.02 1o5p n ASP 99 Ca -0.06 0.00 -0.15 0.00 -0.01 0.00 0.00 54.79 54.58 1o5p n ASP 99 Cb 0.61 0.00 0.09 0.00 -1.03 0.00 0.00 41.12 40.80 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 -0.01 2.12 0.00 -1.26 -4.64 120.51 118.40 1o5p n ALA 100 Ca 0.00 -3.58 -0.01 0.00 0.00 0.00 0.00 53.44 49.85 1o5p n ALA 100 Cb 0.00 -0.46 -0.01 0.00 0.00 0.00 0.00 19.45 18.98 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 1.95 0.00 0.00 0.00 -1.26 -5.02 120.51 115.31 1o5p n ALA 101 Ca 0.37 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.70 1o5p n ALA 101 Cb 0.88 0.29 0.00 0.00 0.00 0.00 0.00 19.45 20.63 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 3.07 1.11 3.17 0.00 0.00 -1.26 -5.14 105.19 106.13 1o5p n GLY 102 Ca -0.03 -0.08 -0.08 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.90 -0.21 1.61 5.03 -1.26 -4.98 115.26 113.55 1o5p n ASN 103 Ca 0.00 -2.37 0.00 0.00 0.87 0.00 0.00 54.58 53.08 1o5p n ASN 103 Cb 0.00 3.18 0.00 0.00 -1.02 0.00 0.00 39.78 41.94 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 -0.46 1.92 3.08 7.41 0.00 -1.26 -3.55 105.19 112.33 1o5p n GLY 104 Ca -0.07 -0.74 -0.30 0.00 0.00 0.00 0.00 46.02 44.91 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 -0.90 -1.14 1.61 -0.02 -1.26 -4.88 135.00 128.40 1o5p n PRO 105 Ca 0.00 -0.26 -0.08 0.00 -2.02 0.00 0.00 63.50 61.15 1o5p n PRO 105 Cb 0.00 -1.31 0.04 0.00 -0.02 0.00 0.00 33.50 32.21 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 0.23 0.27 -4.54 -0.52 0.28 -1.26 -4.50 120.64 110.60 1o5p n GLU 106 Ca 0.00 -0.83 -0.25 0.00 -0.16 0.00 0.00 57.16 55.92 1o5p n GLU 106 Cb 0.59 -0.24 -0.11 0.00 1.43 0.00 0.00 31.44 33.11 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 -3.34 2.25 -0.16 -1.84 0.00 -1.26 -3.43 107.32 99.54 1o5p s GLY 107 Ca 0.21 -2.15 -0.06 0.00 0.00 0.00 0.00 44.72 42.72 1o5p s GLY 107 CO 0.14 -1.98 0.03 0.14 0.00 0.00 0.00 173.10 171.43 1o5p s VAL 108 N -2.87 4.53 -0.07 1.40 1.01 0.16 -4.74 120.40 119.81 1o5p s VAL 108 Ca 0.34 -0.13 -0.30 0.00 0.00 0.00 0.00 61.98 61.89 1o5p s VAL 108 Cb 0.07 -3.01 -0.04 0.00 0.00 0.00 0.00 36.38 33.41 1o5p s VAL 108 CO 0.16 0.49 1.37 0.00 0.00 0.00 0.00 175.10 177.13 1o5p s ALA 109 N 0.17 3.60 0.48 5.51 0.00 -1.26 0.20 121.76 130.46 1o5p s ALA 109 Ca 0.03 0.72 0.06 0.00 0.00 0.00 0.00 51.96 52.76 1o5p s ALA 109 Cb -0.13 -3.62 0.03 0.00 0.00 0.00 0.00 23.12 19.40 1o5p s ALA 109 CO 0.01 -1.07 0.66 0.96 0.00 0.00 0.00 175.76 176.32 1o5p s ILE 110 N 3.04 2.81 0.12 0.00 -4.36 -1.04 -4.84 121.20 116.93 1o5p s ILE 110 Ca 0.61 -0.90 0.01 0.00 -0.26 0.00 0.00 60.65 60.11 1o5p s ILE 110 Cb -0.28 -2.91 -0.04 0.00 1.25 0.00 0.00 42.46 40.48 1o5p s ILE 110 CO 0.22 0.00 -0.02 -0.55 0.24 0.00 0.00 174.94 174.84 1o5p s SER 111 N -4.41 0.89 0.02 4.36 0.15 0.21 -4.74 113.70 110.18 1o5p s SER 111 Ca 0.57 -1.09 0.03 0.00 0.70 0.00 0.00 55.95 56.15 1o5p s SER 111 Cb -0.10 0.16 -0.02 0.00 -1.71 0.00 0.00 66.02 64.36 1o5p s SER 111 CO 0.35 -0.57 -0.10 -0.36 1.20 0.00 0.00 173.24 173.77 1o5p s PHE 112 N -3.77 0.85 -2.00 3.44 0.40 -1.26 -3.07 117.98 112.57 1o5p s PHE 112 Ca 0.17 -0.30 0.03 0.00 -0.60 0.00 0.00 56.93 56.23 1o5p s PHE 112 Cb 0.06 -0.52 0.21 0.00 0.51 0.00 0.00 43.02 43.28 1o5p s PHE 112 CO -0.02 -0.01 0.69 0.27 0.70 0.00 0.00 175.22 176.84