#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 2.20 0.83 0.00 0.00 -1.26 -5.07 121.76 118.46 1o5p s ALA 2 Ca 0.00 -1.44 -0.12 0.00 0.00 0.00 0.00 51.96 50.40 1o5p s ALA 2 Cb 0.00 -0.31 0.10 0.00 0.00 0.00 0.00 23.12 22.91 1o5p s ALA 2 CO 0.00 0.43 1.18 -2.14 0.00 0.00 0.00 175.76 175.24 1o5p s PRO 3 N -2.21 1.49 0.10 0.00 0.02 -0.20 -4.55 135.00 129.65 1o5p s PRO 3 Ca 0.13 1.68 -0.11 0.00 0.02 0.00 0.00 61.00 62.72 1o5p s PRO 3 Cb -0.09 -1.77 0.01 0.00 0.02 0.00 0.00 34.50 32.67 1o5p s PRO 3 CO 0.06 -2.31 0.24 0.95 -0.33 0.00 0.00 177.00 175.62 1o5p s THR 4 N -2.32 0.12 -0.15 0.99 -4.23 1.11 -4.88 115.64 106.28 1o5p s THR 4 Ca 0.71 -1.02 -0.06 0.00 -1.18 0.00 0.00 61.69 60.14 1o5p s THR 4 Cb -0.26 -1.29 0.07 0.00 1.34 0.00 0.00 72.50 72.36 1o5p s THR 4 CO 0.53 -0.56 0.33 0.00 -0.54 0.00 0.00 174.62 174.37 1o5p s ALA 5 N -3.83 -0.81 -0.30 3.99 0.00 -1.26 0.26 121.76 119.82 1o5p s ALA 5 Ca 0.04 1.20 -0.00 0.00 0.00 0.00 0.00 51.96 53.20 1o5p s ALA 5 Cb 0.04 -1.06 0.06 0.00 0.00 0.00 0.00 23.12 22.16 1o5p s ALA 5 CO -0.11 -0.58 -0.02 -0.08 0.00 0.00 0.00 175.76 174.97 1o5p s THR 6 N 2.22 2.74 -0.08 0.00 -1.32 -0.34 -4.87 115.64 113.98 1o5p s THR 6 Ca -0.02 -1.54 0.02 0.00 -1.21 0.00 0.00 61.69 58.94 1o5p s THR 6 Cb -0.11 -2.62 -0.02 0.00 -1.51 0.00 0.00 72.50 68.24 1o5p s THR 6 CO -0.10 -0.14 -0.15 -0.69 -2.21 0.00 0.00 174.62 171.33 1o5p s VAL 7 N 1.19 2.98 -0.16 5.08 1.01 -1.26 -0.50 120.40 128.73 1o5p s VAL 7 Ca -0.05 -0.72 -0.30 0.00 0.00 0.00 0.00 61.98 60.91 1o5p s VAL 7 Cb -0.20 -2.20 0.13 0.00 0.00 0.00 0.00 36.38 34.11 1o5p s VAL 7 CO -0.03 0.56 0.99 -0.89 0.00 0.00 0.00 175.10 175.74 1o5p s THR 8 N -0.22 0.00 0.43 3.92 2.01 -0.07 -4.42 115.64 117.28 1o5p s THR 8 Ca 0.01 0.00 -0.21 0.00 0.31 0.00 0.00 61.69 61.79 1o5p s THR 8 Cb -0.13 -1.00 -0.11 0.00 0.01 0.00 0.00 72.50 71.27 1o5p s THR 8 CO 0.03 0.00 0.96 -2.16 -0.69 0.00 0.00 174.62 172.76 1o5p s PRO 9 N -1.08 4.21 0.09 4.92 0.05 -1.26 -0.36 135.00 141.56 1o5p s PRO 9 Ca -0.02 1.18 0.19 0.00 0.05 0.00 0.00 61.00 62.40 1o5p s PRO 9 Cb -0.01 -2.24 -0.11 0.00 0.05 0.00 0.00 34.50 32.20 1o5p s PRO 9 CO 0.02 -0.05 0.85 -1.13 0.05 0.00 0.00 177.00 176.73 1o5p n SER 10 N -0.55 0.78 -4.27 6.66 3.41 -1.26 -4.76 113.62 113.62 1o5p n SER 10 Ca 0.07 0.33 -0.16 0.00 -0.26 0.00 0.00 58.87 58.85 1o5p n SER 10 Cb 0.53 0.38 -0.10 0.00 -0.26 0.00 0.00 64.21 64.76 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 -5.57 2.04 -0.11 4.04 0.01 -1.26 0.47 113.70 113.33 1o5p s SER 11 Ca -0.03 -0.97 -0.00 0.00 1.31 0.00 0.00 55.95 56.25 1o5p s SER 11 Cb 0.09 -0.06 0.00 0.00 0.21 0.00 0.00 66.02 66.27 1o5p s SER 11 CO 0.81 -0.25 0.06 0.61 0.41 0.00 0.00 173.24 174.89 1o5p n GLY 12 N -0.10 0.70 0.13 3.44 0.00 -1.14 -4.91 105.19 103.31 1o5p n GLY 12 Ca -0.11 -0.67 -0.22 0.00 0.00 0.00 0.00 46.02 45.03 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 -0.67 2.38 -1.16 0.99 4.77 -1.26 -5.03 117.00 117.01 1o5p n LEU 13 Ca -0.00 0.25 0.00 0.00 -0.03 0.00 0.00 56.01 56.22 1o5p n LEU 13 Cb 0.51 -1.02 0.00 0.00 -2.33 0.00 0.00 43.42 40.57 1o5p n LEU 13 CO 0.04 0.66 -0.35 -0.24 -1.33 0.00 0.00 177.39 176.18 1o5p n SER 14 N -3.82 -6.41 -4.46 -1.43 2.88 -1.26 -3.79 113.62 95.32 1o5p n SER 14 Ca -0.36 1.15 -0.47 0.00 -1.33 0.00 0.00 58.87 57.87 1o5p n SER 14 Cb 0.91 -3.38 -0.08 0.00 -0.75 0.00 0.00 64.21 60.91 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 -1.63 1.79 0.00 -3.46 5.75 -1.26 -1.99 116.55 115.75 1o5p n ASP 15 Ca 0.00 0.21 0.00 0.00 -0.01 0.00 0.00 54.79 54.99 1o5p n ASP 15 Cb 0.18 -1.25 0.00 0.00 -1.03 0.00 0.00 41.12 39.02 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 1.54 1.66 6.12 0.00 -1.26 -5.05 105.19 114.68 1o5p n GLY 16 Ca 0.45 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 -0.55 0.00 -4.76 2.61 5.66 -0.84 -4.97 114.28 111.42 1o5p n THR 17 Ca 0.00 -0.89 -0.25 0.00 -3.05 0.00 0.00 64.05 59.86 1o5p n THR 17 Cb 0.00 -0.54 -0.16 0.00 -1.55 0.00 0.00 70.33 68.08 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 1.32 0.18 1.08 1.01 -1.26 -2.07 120.40 119.80 1o5p s VAL 18 Ca 0.20 -0.66 0.08 0.00 0.00 0.00 0.00 61.98 61.59 1o5p s VAL 18 Cb -0.02 -1.13 -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 0.00 175.10 176.25 1o5p s VAL 19 N -0.01 3.51 -0.36 2.92 -7.23 0.17 -4.73 120.40 114.69 1o5p s VAL 19 Ca -0.02 -1.54 -0.08 0.00 -1.81 0.00 0.00 61.98 58.53 1o5p s VAL 19 Cb -0.10 -2.76 0.04 0.00 0.56 0.00 0.00 36.38 34.11 1o5p s VAL 19 CO 0.01 -0.13 0.15 -0.75 -0.31 0.00 0.00 175.10 174.08 1o5p s LYS 20 N -2.94 2.67 -0.12 4.82 2.20 0.51 -1.16 119.74 125.72 1o5p s LYS 20 Ca 0.27 -1.19 -0.06 0.00 -0.36 0.00 0.00 55.97 54.63 1o5p s LYS 20 Cb -0.09 -3.58 -0.04 0.00 -1.51 0.00 0.00 37.83 32.61 1o5p s LYS 20 CO 0.17 -0.71 0.10 0.54 -0.36 0.00 0.00 175.35 175.10 1o5p s VAL 21 N 1.45 5.21 0.14 4.02 0.11 -0.87 -0.89 120.40 129.57 1o5p s VAL 21 Ca -0.00 0.10 0.03 0.00 -2.93 0.00 0.00 61.98 59.17 1o5p s VAL 21 Cb -0.20 -3.26 -0.04 0.00 -1.53 0.00 0.00 36.38 31.35 1o5p s VAL 21 CO 0.04 0.61 -0.05 0.00 -3.33 0.00 0.00 175.10 172.37 1o5p s ALA 22 N -0.92 1.27 -0.00 1.54 0.00 0.34 -1.67 121.76 122.32 1o5p s ALA 22 Ca 0.14 -1.49 0.01 0.00 0.00 0.00 0.00 51.96 50.63 1o5p s ALA 22 Cb -0.12 0.28 -0.00 0.00 0.00 0.00 0.00 23.12 23.28 1o5p s ALA 22 CO 0.03 -0.23 -0.04 0.20 0.00 0.00 0.00 175.76 175.72 1o5p s GLY 23 N -3.13 0.22 -0.06 0.00 0.00 0.27 -1.20 107.32 103.42 1o5p s GLY 23 Ca 0.18 -0.18 -0.02 0.00 0.00 0.00 0.00 44.72 44.69 1o5p s GLY 23 CO 0.00 -0.14 0.12 0.00 0.00 0.00 0.00 173.10 173.08 1o5p s ALA 24 N -0.07 -0.11 0.00 3.20 0.00 0.73 0.18 121.76 125.69 1o5p s ALA 24 Ca 0.01 0.51 0.00 0.00 0.00 0.00 0.00 51.96 52.49 1o5p s ALA 24 Cb -0.02 -0.54 0.00 0.00 0.00 0.00 0.00 23.12 22.56 1o5p s ALA 24 CO -0.00 -0.31 0.00 0.41 0.00 0.00 0.00 175.76 175.86 1o5p n GLY 25 N 4.67 1.00 3.96 0.00 0.00 -1.04 0.36 105.19 114.13 1o5p n GLY 25 Ca -0.18 -0.52 -0.25 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 2.91 -0.88 0.99 1.43 -0.67 -1.04 118.68 121.42 1o5p s LEU 26 Ca 0.00 0.08 -0.25 0.00 -1.03 0.00 0.00 54.13 52.93 1o5p s LEU 26 Cb 0.00 -2.54 -0.21 0.00 0.03 0.00 0.00 46.19 43.47 1o5p s LEU 26 CO 0.00 -1.84 2.51 0.00 0.23 0.00 0.00 176.35 177.25 1o5p n GLN 27 N -2.97 0.25 -1.21 1.70 3.00 -1.26 -4.07 117.38 112.81 1o5p n GLN 27 Ca 0.12 -0.07 -0.18 0.00 -0.01 0.00 0.00 57.00 56.86 1o5p n GLN 27 Cb 0.60 -1.95 -0.09 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 11.20 0.36 0.00 -1.58 0.00 -1.24 -1.27 120.51 127.98 1o5p n ALA 28 Ca 0.59 -2.04 0.00 0.00 0.00 0.00 0.00 53.44 51.99 1o5p n ALA 28 Cb 0.19 -2.81 0.00 0.00 0.00 0.00 0.00 19.45 16.83 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 5.47 0.50 2.86 0.00 0.00 0.92 -4.82 105.19 110.13 1o5p n GLY 29 Ca 0.34 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.21 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 -0.63 -0.42 -0.09 2.61 -4.23 -0.40 -4.89 115.64 107.60 1o5p s THR 30 Ca 0.00 0.00 -0.40 0.00 -1.18 0.00 0.00 61.69 60.12 1o5p s THR 30 Cb 0.00 -0.65 -0.18 0.00 1.34 0.00 0.00 72.50 73.01 1o5p s THR 30 CO 0.00 -0.10 1.39 0.00 -0.54 0.00 0.00 174.62 175.37 1o5p n ALA 31 N 5.34 -1.58 -2.45 3.99 0.00 -1.26 -2.74 120.51 121.82 1o5p n ALA 31 Ca -0.05 0.51 -0.28 0.00 0.00 0.00 0.00 53.44 53.62 1o5p n ALA 31 Cb 0.50 -2.00 -0.12 0.00 0.00 0.00 0.00 19.45 17.83 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 1.34 2.40 0.25 0.00 2.02 0.15 -4.51 117.35 119.00 1o5p s TYR 32 Ca 0.92 -0.33 0.05 0.00 -0.37 0.00 0.00 57.07 57.35 1o5p s TYR 32 Cb -1.14 -1.23 -0.03 0.00 -0.40 0.00 0.00 41.96 39.16 1o5p s TYR 32 CO 0.58 0.44 0.34 0.34 -1.57 0.00 0.00 175.55 175.68 1o5p s ASP 33 N -2.42 6.17 -0.07 2.29 2.15 0.79 -1.58 116.67 123.99 1o5p s ASP 33 Ca 0.19 0.00 -0.03 0.00 0.43 0.00 0.00 52.55 53.14 1o5p s ASP 33 Cb -0.09 -1.75 0.04 0.00 -0.30 0.00 0.00 42.92 40.82 1o5p s ASP 33 CO 0.10 -0.09 0.13 0.54 -0.17 0.00 0.00 175.17 175.68 1o5p s VAL 34 N -2.02 -0.22 0.12 1.11 0.11 -0.84 -1.15 120.40 117.52 1o5p s VAL 34 Ca 0.34 0.37 -0.20 0.00 -2.93 0.00 0.00 61.98 59.56 1o5p s VAL 34 Cb -0.09 -0.26 0.07 0.00 -1.53 0.00 0.00 36.38 34.57 1o5p s VAL 34 CO 0.28 0.15 0.94 0.61 -3.33 0.00 0.00 175.10 173.76 1o5p n GLY 35 N 5.32 0.59 3.42 6.54 0.00 -0.94 -0.45 105.19 119.68 1o5p n GLY 35 Ca -0.04 -1.09 -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 2.93 0.07 1.61 -2.07 -1.26 -2.58 119.66 116.33 1o5p s GLN 36 Ca 0.21 -1.13 0.06 0.00 -1.82 0.00 0.00 55.36 52.68 1o5p s GLN 36 Cb -0.02 -3.97 -0.03 0.00 -1.09 0.00 0.00 33.01 27.90 1o5p s GLN 36 CO 0.03 -0.82 -0.16 0.00 -1.32 0.00 0.00 175.29 173.03 1o5p s ALA 38 N -1.20 1.62 -0.35 0.00 0.00 -0.80 -1.78 121.76 119.25 1o5p s ALA 38 Ca 0.00 -0.83 -0.17 0.00 0.00 0.00 0.00 51.96 50.96 1o5p s ALA 38 Cb -0.10 -0.42 -0.01 0.00 0.00 0.00 0.00 23.12 22.59 1o5p s ALA 38 CO 0.03 0.39 0.44 -1.58 0.00 0.00 0.00 175.76 175.04 1o5p s TRP 39 N -0.41 3.19 -0.82 0.00 0.51 -1.26 -1.80 118.94 118.36 1o5p s TRP 39 Ca 0.06 0.07 0.16 0.00 -2.12 0.00 0.00 56.10 54.28 1o5p s TRP 39 Cb -0.08 -2.81 0.60 0.00 -0.81 0.00 0.00 33.47 30.36 1o5p s TRP 39 CO -0.00 -0.50 1.51 1.33 -0.51 0.00 0.00 176.95 178.78 1o5p n VAL 40 N 5.34 1.82 -1.29 4.03 0.24 -0.90 -4.76 118.33 122.81 1o5p n VAL 40 Ca -0.07 -1.33 0.00 0.00 -2.04 0.00 0.00 64.34 60.90 1o5p n VAL 40 Cb 0.49 0.10 0.00 0.00 -1.47 0.00 0.00 33.84 32.96 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 0.59 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 -0.36 0.00 0.71 0.00 0.00 54.79 55.36 1o5p n ASP 41 Cb 0.81 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.88 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 -2.39 3.42 0.00 -3.53 -1.32 -1.26 -2.81 115.64 107.74 1o5p s THR 42 Ca 0.00 0.08 0.00 0.00 -1.21 0.00 0.00 61.69 60.56 1o5p s THR 42 Cb 0.00 -4.07 0.00 0.00 -1.51 0.00 0.00 72.50 66.92 1o5p s THR 42 CO 0.00 -1.03 0.00 0.61 -2.21 0.00 0.00 174.62 171.99 1o5p n GLY 43 N 5.93 0.66 3.13 6.08 0.00 -1.26 -5.04 105.19 114.69 1o5p n GLY 43 Ca 0.23 -0.75 -0.34 0.00 0.00 0.00 0.00 46.02 45.16 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 2.84 -0.34 1.61 1.01 -1.12 -4.99 120.40 117.41 1o5p s VAL 44 Ca 0.00 -1.70 -0.00 0.00 0.00 0.00 0.00 61.98 60.28 1o5p s VAL 44 Cb 0.00 -2.77 0.08 0.00 0.00 0.00 0.00 36.38 33.69 1o5p s VAL 44 CO 0.00 -0.29 0.06 -0.22 0.00 0.00 0.00 175.10 174.65 1o5p s LEU 45 N 1.16 4.45 -0.43 3.92 2.96 -1.26 -2.12 118.68 127.37 1o5p s LEU 45 Ca -0.01 -1.72 -0.16 0.00 -0.22 0.00 0.00 54.13 52.02 1o5p s LEU 45 Cb -0.20 -1.71 0.03 0.00 0.50 0.00 0.00 46.19 44.80 1o5p s LEU 45 CO -0.03 -0.37 0.40 0.00 -1.32 0.00 0.00 176.35 175.03 1o5p s ALA 46 N 1.12 3.45 0.31 5.97 0.00 -0.74 -3.55 121.76 128.33 1o5p s ALA 46 Ca 0.02 -1.65 0.08 0.00 0.00 0.00 0.00 51.96 50.41 1o5p s ALA 46 Cb -0.21 -3.01 -0.03 0.00 0.00 0.00 0.00 23.12 19.87 1o5p s ALA 46 CO -0.04 -1.58 0.23 0.00 0.00 0.00 0.00 175.76 174.37 1o5p s ASN 48 N -3.92 4.84 0.00 0.00 2.47 -0.87 -0.88 114.94 116.58 1o5p s ASN 48 Ca 0.38 -0.05 0.00 0.00 0.42 0.00 0.00 52.86 53.61 1o5p s ASN 48 Cb -0.06 -1.58 0.00 0.00 -1.45 0.00 0.00 41.25 38.16 1o5p s ASN 48 CO 0.25 0.25 0.61 -0.81 -3.72 0.00 0.00 177.10 173.68 1o5p n PRO 49 N 2.96 0.72 0.00 0.43 -0.04 -1.26 -3.31 135.00 134.50 1o5p n PRO 49 Ca -0.18 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.34 1o5p n PRO 49 Cb 0.53 -1.21 0.02 0.00 -0.04 0.00 0.00 33.50 32.79 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 0.48 2.79 -1.04 0.55 0.00 -1.26 -4.44 120.51 117.60 1o5p n ALA 50 Ca 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 53.44 52.93 1o5p n ALA 50 Cb 0.30 -0.43 0.01 0.00 0.00 0.00 0.00 19.45 19.33 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 0.10 0.42 -4.57 0.00 9.92 -1.21 -2.98 116.55 118.22 1o5p n ASP 51 Ca 0.06 -1.45 -0.28 0.00 -0.53 0.00 0.00 54.79 52.59 1o5p n ASP 51 Cb 0.28 -0.06 -0.06 0.00 -0.64 0.00 0.00 41.12 40.64 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 -0.29 1.93 0.00 1.24 0.08 -1.25 -3.56 117.98 116.12 1o5p s PHE 52 Ca 0.02 0.47 0.00 0.00 0.12 0.00 0.00 56.93 57.53 1o5p s PHE 52 Cb 0.01 -4.04 0.00 0.00 -0.57 0.00 0.00 43.02 38.43 1o5p s PHE 52 CO 0.00 -1.40 0.00 0.43 -0.10 0.00 0.00 175.22 174.15 1o5p n SER 53 N 14.08 0.52 0.00 1.36 7.64 0.41 -4.92 113.62 132.72 1o5p n SER 53 Ca 0.43 -0.79 0.00 0.00 1.01 0.00 0.00 58.87 59.52 1o5p n SER 53 Cb 0.47 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.67 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 -1.96 0.00 -3.78 6.43 2.88 -1.26 -1.98 113.62 113.95 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 -0.56 0.10 0.02 2.46 0.11 -0.62 -4.94 120.40 116.97 1o5p s VAL 55 Ca 0.00 -0.81 -0.06 0.00 -2.93 0.00 0.00 61.98 58.18 1o5p s VAL 55 Cb 0.00 -1.05 -0.05 0.00 -1.53 0.00 0.00 36.38 33.75 1o5p s VAL 55 CO 0.00 -0.45 0.27 -0.89 -3.33 0.00 0.00 175.10 170.70 1o5p s THR 56 N -3.00 5.30 -0.35 5.04 2.01 -1.26 0.34 115.64 123.72 1o5p s THR 56 Ca -0.02 0.12 -0.28 0.00 0.31 0.00 0.00 61.69 61.82 1o5p s THR 56 Cb 0.01 -3.57 -0.02 0.00 0.01 0.00 0.00 72.50 68.92 1o5p s THR 56 CO -0.06 0.32 1.88 0.00 -0.69 0.00 0.00 174.62 176.07 1o5p s ALA 57 N -1.34 2.75 0.00 7.40 0.00 -1.11 -4.67 121.76 124.79 1o5p s ALA 57 Ca 0.29 0.24 0.00 0.00 0.00 0.00 0.00 51.96 52.49 1o5p s ALA 57 Cb -0.13 -4.06 0.00 0.00 0.00 0.00 0.00 23.12 18.93 1o5p s ALA 57 CO 0.18 -2.82 0.00 -0.40 0.00 0.00 0.00 175.76 172.71 1o5p n ASP 58 N 10.86 0.00 -0.10 0.00 5.75 -1.26 0.31 116.55 132.11 1o5p n ASP 58 Ca 0.24 0.00 -0.06 0.00 -0.01 0.00 0.00 54.79 54.96 1o5p n ASP 58 Cb 0.47 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.57 1o5p n ASP 58 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1o5p h ALA 59 N -2.00 0.07 0.00 2.12 0.00 -1.93 -3.09 119.26 114.44 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 -2.24 -1.71 0.00 0.00 0.00 179.25 174.74 1o5p n ASN 60 N -5.36 1.11 0.00 0.00 5.15 -1.26 -4.55 115.26 110.34 1o5p n ASN 60 Ca 0.01 -0.04 0.00 0.00 -0.60 0.00 0.00 54.58 53.96 1o5p n ASN 60 Cb 0.27 0.55 0.00 0.00 -0.53 0.00 0.00 39.78 40.07 1o5p n ASN 60 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1o5p n GLY 61 N 2.06 0.74 3.76 8.20 0.00 -1.17 -1.67 105.19 117.11 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 -1.32 6.33 -0.20 1.61 1.04 -1.25 -2.47 113.70 117.45 1o5p s SER 62 Ca 0.00 0.38 -0.04 0.00 0.48 0.00 0.00 55.95 56.78 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 0.21 0.07 0.00 0.98 0.00 0.00 173.24 174.50 1o5p s ALA 63 N 0.04 0.77 -0.17 5.32 0.00 0.13 -4.60 121.76 123.24 1o5p s ALA 63 Ca 0.12 -0.63 0.01 0.00 0.00 0.00 0.00 51.96 51.46 1o5p s ALA 63 Cb -0.12 -1.16 0.03 0.00 0.00 0.00 0.00 23.12 21.87 1o5p s ALA 63 CO 0.01 -1.24 -0.13 -1.12 0.00 0.00 0.00 175.76 173.29 1o5p s SER 64 N 1.98 3.05 -0.04 0.00 0.01 -1.26 0.96 113.70 118.39 1o5p s SER 64 Ca 0.02 -0.69 -0.08 0.00 1.31 0.00 0.00 55.95 56.51 1o5p s SER 64 Cb -0.17 -1.22 0.01 0.00 0.21 0.00 0.00 66.02 64.86 1o5p s SER 64 CO -0.12 -0.09 0.20 0.28 0.41 0.00 0.00 173.24 173.92 1o5p s THR 65 N 1.43 0.04 -0.03 1.44 -1.32 -0.67 -5.00 115.64 111.53 1o5p s THR 65 Ca 0.02 -0.33 -0.05 0.00 -1.21 0.00 0.00 61.69 60.12 1o5p s THR 65 Cb -0.14 -0.40 -0.04 0.00 -1.51 0.00 0.00 72.50 70.41 1o5p s THR 65 CO -0.10 -0.18 0.21 -0.94 -2.21 0.00 0.00 174.62 171.40 1o5p s SER 66 N -0.66 6.43 0.22 8.08 1.04 -1.26 -2.05 113.70 125.50 1o5p s SER 66 Ca -0.08 0.46 -0.06 0.00 0.48 0.00 0.00 55.95 56.75 1o5p s SER 66 Cb -0.04 -2.05 -0.02 0.00 0.10 0.00 0.00 66.02 64.00 1o5p s SER 66 CO 0.01 0.30 0.29 -1.48 0.98 0.00 0.00 173.24 173.34 1o5p s LEU 67 N -1.64 0.79 -0.24 2.42 0.05 -0.31 -4.95 118.68 114.80 1o5p s LEU 67 Ca 0.24 -1.18 -0.09 0.00 0.05 0.00 0.00 54.13 53.16 1o5p s LEU 67 Cb -0.13 1.01 -0.04 0.00 -2.05 0.00 0.00 46.19 44.98 1o5p s LEU 67 CO 0.14 -0.97 0.13 0.42 -0.55 0.00 0.00 176.35 175.51 1o5p s THR 68 N -4.09 4.96 0.02 5.48 -4.23 -1.16 0.46 115.64 117.08 1o5p s THR 68 Ca 0.31 0.04 0.04 0.00 -1.18 0.00 0.00 61.69 60.91 1o5p s THR 68 Cb 0.04 -3.32 -0.02 0.00 1.34 0.00 0.00 72.50 70.54 1o5p s THR 68 CO 0.10 0.34 -0.12 0.68 -0.54 0.00 0.00 174.62 175.08 1o5p s VAL 69 N 1.26 0.97 0.24 2.29 -7.23 -0.88 -4.28 120.40 112.78 1o5p s VAL 69 Ca 0.06 -0.81 -0.02 0.00 -1.81 0.00 0.00 61.98 59.41 1o5p s VAL 69 Cb -0.14 -0.87 0.01 0.00 0.56 0.00 0.00 36.38 35.93 1o5p s VAL 69 CO 0.05 0.06 0.34 -2.11 -0.31 0.00 0.00 175.10 173.14 1o5p n ARG 70 N 2.20 0.49 0.00 4.82 1.85 -1.26 -4.19 116.66 120.57 1o5p n ARG 70 Ca -0.17 -1.92 0.00 0.00 -1.00 0.00 0.00 57.85 54.76 1o5p n ARG 70 Cb 0.55 1.86 0.00 0.00 -1.05 0.00 0.00 32.46 33.83 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 -0.40 0.00 -1.71 2.89 1.85 -1.26 -4.53 116.66 113.50 1o5p n ARG 71 Ca 0.00 0.00 -0.42 0.00 -1.00 0.00 0.00 57.85 56.43 1o5p n ARG 71 Cb 0.41 0.00 -0.01 0.00 -1.05 0.00 0.00 32.46 31.81 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 2.90 -3.63 2.89 7.64 -1.26 -1.90 113.62 120.26 1o5p n SER 72 Ca 0.00 1.21 -0.11 0.00 1.01 0.00 0.00 58.87 60.98 1o5p n SER 72 Cb 0.00 -1.50 -0.07 0.00 -1.01 0.00 0.00 64.21 61.63 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 -1.10 -0.87 -0.26 1.43 -0.71 -0.66 -4.82 117.98 111.00 1o5p s PHE 73 Ca 0.55 1.94 -0.30 0.00 -1.04 0.00 0.00 56.93 58.08 1o5p s PHE 73 Cb -0.55 0.42 -0.13 0.00 -1.21 0.00 0.00 43.02 41.55 1o5p s PHE 73 CO 0.62 -0.43 0.97 0.39 -1.34 0.00 0.00 175.22 175.44 1o5p n GLU 74 N 3.34 0.00 -1.24 1.99 -0.58 -1.26 -1.69 120.64 121.20 1o5p n GLU 74 Ca -0.16 0.00 -0.23 0.00 -0.42 0.00 0.00 57.16 56.34 1o5p n GLU 74 Cb 0.57 -0.98 -0.01 0.00 -0.57 0.00 0.00 31.44 30.45 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 2.25 4.34 3.07 0.62 0.00 -0.32 -2.64 105.19 112.52 1o5p n GLY 75 Ca 0.19 -1.59 -0.56 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 0.55 1.27 -3.07 1.61 3.01 -0.06 -2.22 117.46 118.55 1o5p n PHE 76 Ca 0.42 0.83 -0.40 0.00 1.01 0.00 0.00 57.45 59.31 1o5p n PHE 76 Cb 0.57 -2.00 -0.05 0.00 -0.01 0.00 0.00 39.48 37.99 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 4.07 4.24 -0.25 4.37 2.96 -0.65 -1.94 118.68 131.48 1o5p s LEU 77 Ca 1.00 1.05 -0.02 0.00 -0.22 0.00 0.00 54.13 55.95 1o5p s LEU 77 Cb -1.32 -3.02 -0.02 0.00 0.50 0.00 0.00 46.19 42.33 1o5p s LEU 77 CO 0.65 -0.19 1.30 0.33 -1.32 0.00 0.00 176.35 177.12 1o5p n PHE 78 N 4.34 0.36 -1.94 5.38 7.35 -1.23 -2.88 117.46 128.85 1o5p n PHE 78 Ca -0.01 -0.86 0.00 0.00 -0.76 0.00 0.00 57.45 55.82 1o5p n PHE 78 Cb 0.50 -0.89 0.00 0.00 0.35 0.00 0.00 39.48 39.45 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 4.47 0.00 0.00 -2.13 -0.08 -1.26 -4.98 116.55 112.57 1o5p n ASP 79 Ca 0.13 -0.94 0.00 0.00 -1.51 0.00 0.00 54.79 52.47 1o5p n ASP 79 Cb 0.06 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 2.80 3.94 0.27 0.00 -1.14 -4.99 105.19 106.08 1o5p n GLY 80 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.07 5.06 -0.12 2.61 -4.23 -1.26 -4.96 115.64 111.67 1o5p s THR 81 Ca 0.00 -0.47 -0.03 0.00 -1.18 0.00 0.00 61.69 60.00 1o5p s THR 81 Cb 0.00 -3.85 -0.03 0.00 1.34 0.00 0.00 72.50 69.96 1o5p s THR 81 CO 0.00 -0.55 0.01 0.00 -0.54 0.00 0.00 174.62 173.54 1o5p s ARG 82 N -4.32 3.31 0.35 3.99 1.70 -1.26 -1.64 118.95 121.08 1o5p s ARG 82 Ca 0.40 -0.41 0.23 0.00 -0.47 0.00 0.00 55.73 55.48 1o5p s ARG 82 Cb -0.10 -2.90 0.37 0.00 -0.57 0.00 0.00 34.95 31.75 1o5p s ARG 82 CO 0.36 0.53 1.54 2.35 -1.08 0.00 0.00 175.30 179.00 1o5p h TRP 83 N 5.75 0.00 0.00 5.89 7.01 -1.77 -3.46 115.95 129.37 1o5p h TRP 83 Ca -0.44 0.00 0.00 0.00 2.11 0.00 0.00 58.89 60.56 1o5p h TRP 83 Cb 1.19 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 1.16 1.58 3.58 2.65 0.00 -1.26 -4.91 105.19 107.99 1o5p n GLY 84 Ca 0.04 -2.18 -0.41 0.00 0.00 0.00 0.00 46.02 43.47 1o5p n GLY 84 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1o5p s THR 85 N -1.56 3.26 -0.57 2.61 -4.23 -1.26 -1.18 115.64 112.71 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 -3.45 0.02 0.00 1.34 0.00 0.00 72.50 70.41 1o5p s THR 85 CO 0.00 -0.35 1.38 -0.69 -0.54 0.00 0.00 174.62 174.42 1o5p s VAL 86 N 8.65 3.82 -0.27 2.29 1.01 -0.68 -4.69 120.40 130.53 1o5p s VAL 86 Ca 0.85 0.71 -0.28 0.00 0.00 0.00 0.00 61.98 63.25 1o5p s VAL 86 Cb -0.22 -4.49 -0.03 0.00 0.00 0.00 0.00 36.38 31.64 1o5p s VAL 86 CO 0.30 -1.21 1.91 -1.81 0.00 0.00 0.00 175.10 174.29 1o5p s ASP 87 N 4.17 5.84 0.00 3.32 1.01 -1.26 -1.65 116.67 128.10 1o5p s ASP 87 Ca 0.51 1.56 0.05 0.00 0.71 0.00 0.00 52.55 55.37 1o5p s ASP 87 Cb -0.10 -2.52 0.24 0.00 1.01 0.00 0.00 42.92 41.54 1o5p s ASP 87 CO 0.25 -1.71 0.98 0.00 0.21 0.00 0.00 175.17 174.90 1o5p n THR 89 N -1.29 0.00 -0.05 0.00 -2.24 -1.26 -4.13 114.28 105.31 1o5p n THR 89 Ca 0.02 -0.15 -0.10 0.00 -2.27 0.00 0.00 64.05 61.55 1o5p n THR 89 Cb 0.04 0.14 -0.03 0.00 -2.10 0.00 0.00 70.33 68.38 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 -0.31 0.53 -3.42 4.28 -2.24 -0.04 -5.06 114.28 108.03 1o5p n THR 90 Ca 0.20 -0.13 -0.20 0.00 -2.27 0.00 0.00 64.05 61.65 1o5p n THR 90 Cb 0.27 -1.63 0.03 0.00 -2.10 0.00 0.00 70.33 66.90 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 -3.43 0.94 -2.96 6.98 0.00 -1.18 -5.09 120.51 115.76 1o5p n ALA 91 Ca -0.19 -1.91 -0.38 0.00 0.00 0.00 0.00 53.44 50.96 1o5p n ALA 91 Cb 0.63 0.65 -0.12 0.00 0.00 0.00 0.00 19.45 20.61 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 -2.66 3.21 -0.24 0.00 0.00 -1.26 -4.72 121.76 116.09 1o5p s ALA 92 Ca 0.42 -1.41 -0.13 0.00 0.00 0.00 0.00 51.96 50.83 1o5p s ALA 92 Cb -0.03 -2.31 -0.04 0.00 0.00 0.00 0.00 23.12 20.73 1o5p s ALA 92 CO 0.27 -0.91 0.29 0.00 0.00 0.00 0.00 175.76 175.40 1o5p s GLN 94 N 1.45 3.02 -0.40 0.00 -0.21 -0.73 -2.58 119.66 120.22 1o5p s GLN 94 Ca 0.13 -0.52 -0.13 0.00 0.02 0.00 0.00 55.36 54.85 1o5p s GLN 94 Cb -0.15 -2.83 0.02 0.00 1.00 0.00 0.00 33.01 31.06 1o5p s GLN 94 CO 0.08 0.64 0.26 0.08 -2.12 0.00 0.00 175.29 174.22 1o5p s VAL 95 N -1.21 4.99 0.05 1.09 1.01 0.14 -2.26 120.40 124.20 1o5p s VAL 95 Ca 0.23 -0.74 -0.00 0.00 0.00 0.00 0.00 61.98 61.47 1o5p s VAL 95 Cb -0.12 -3.78 0.00 0.00 0.00 0.00 0.00 36.38 32.48 1o5p s VAL 95 CO 0.15 -0.28 0.06 0.61 0.00 0.00 0.00 175.10 175.64 1o5p n GLY 96 N 5.10 3.07 3.79 4.51 0.00 -1.06 0.28 105.19 120.87 1o5p n GLY 96 Ca -0.11 -1.43 -0.33 0.00 0.00 0.00 0.00 46.02 44.15 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 2.26 0.00 0.99 1.02 -1.24 -2.21 118.68 119.50 1o5p s LEU 97 Ca 0.04 -1.65 -0.29 0.00 0.02 0.00 0.00 54.13 52.24 1o5p s LEU 97 Cb -0.00 -0.75 0.09 0.00 0.02 0.00 0.00 46.19 45.55 1o5p s LEU 97 CO 0.03 -0.93 1.31 -1.20 0.02 0.00 0.00 176.35 175.58 1o5p n SER 98 N -1.35 -1.02 0.00 2.29 7.64 -0.30 -4.26 113.62 116.62 1o5p n SER 98 Ca -0.19 -1.07 0.00 0.00 1.01 0.00 0.00 58.87 58.62 1o5p n SER 98 Cb 0.67 1.54 0.00 0.00 -1.01 0.00 0.00 64.21 65.41 1o5p n SER 98 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1o5p n ASP 99 N -0.99 1.05 -1.67 6.43 5.75 -1.25 0.28 116.55 126.14 1o5p n ASP 99 Ca 0.06 0.00 -0.17 0.00 -0.01 0.00 0.00 54.79 54.67 1o5p n ASP 99 Cb 0.56 0.00 0.09 0.00 -1.03 0.00 0.00 41.12 40.74 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 4.81 -0.04 2.12 0.00 -1.26 -4.61 120.51 118.52 1o5p n ALA 100 Ca 0.00 -3.59 -0.04 0.00 0.00 0.00 0.00 53.44 49.81 1o5p n ALA 100 Cb 0.00 -0.52 -0.05 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 -0.86 1.82 0.00 0.00 0.00 -1.26 -5.01 120.51 115.20 1o5p n ALA 101 Ca 0.40 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1o5p n ALA 101 Cb 0.90 0.16 0.00 0.00 0.00 0.00 0.00 19.45 20.50 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 2.71 1.04 2.78 0.00 0.00 -1.26 -5.14 105.19 105.32 1o5p n GLY 102 Ca -0.13 -0.07 -0.03 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 -1.35 -0.17 1.61 5.03 -1.26 -5.01 115.26 114.11 1o5p n ASN 103 Ca 0.00 -1.77 0.00 0.00 0.87 0.00 0.00 54.58 53.68 1o5p n ASN 103 Cb 0.00 2.21 0.00 0.00 -1.02 0.00 0.00 39.78 40.97 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 -0.50 1.90 3.00 7.41 0.00 -1.26 -3.86 105.19 111.88 1o5p n GLY 104 Ca -0.03 -0.73 -0.20 0.00 0.00 0.00 0.00 46.02 45.07 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 -1.71 1.61 -0.02 -1.26 -4.91 135.00 127.33 1o5p n PRO 105 Ca 0.00 -0.41 -0.11 0.00 -2.02 0.00 0.00 63.50 60.96 1o5p n PRO 105 Cb 0.00 -1.34 0.05 0.00 -0.02 0.00 0.00 33.50 32.20 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 -0.41 0.37 -4.53 -0.52 0.28 -1.26 -4.60 120.64 109.97 1o5p n GLU 106 Ca 0.03 -1.44 -0.26 0.00 -0.16 0.00 0.00 57.16 55.33 1o5p n GLU 106 Cb 0.38 -0.29 -0.10 0.00 1.43 0.00 0.00 31.44 32.86 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 -3.68 2.19 -0.19 -1.84 0.00 -1.26 -3.61 107.32 98.94 1o5p s GLY 107 Ca 0.33 -2.09 -0.09 0.00 0.00 0.00 0.00 44.72 42.88 1o5p s GLY 107 CO 0.22 -2.03 0.10 0.14 0.00 0.00 0.00 173.10 171.53 1o5p s VAL 108 N -2.61 5.15 -0.03 1.40 1.01 0.14 -4.72 120.40 120.76 1o5p s VAL 108 Ca 0.33 0.10 -0.30 0.00 0.00 0.00 0.00 61.98 62.10 1o5p s VAL 108 Cb 0.02 -3.33 -0.04 0.00 0.00 0.00 0.00 36.38 33.03 1o5p s VAL 108 CO 0.17 0.46 1.26 0.00 0.00 0.00 0.00 175.10 176.99 1o5p s ALA 109 N 0.28 3.52 0.46 5.51 0.00 -1.26 0.23 121.76 130.50 1o5p s ALA 109 Ca 0.06 0.72 0.06 0.00 0.00 0.00 0.00 51.96 52.80 1o5p s ALA 109 Cb -0.12 -3.54 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 0.00 175.76 176.56 1o5p s ILE 110 N 2.21 2.88 0.07 0.00 -4.36 -1.06 -4.84 121.20 116.09 1o5p s ILE 110 Ca 0.59 -0.89 0.00 0.00 -0.26 0.00 0.00 60.65 60.09 1o5p s ILE 110 Cb -0.27 -2.99 -0.04 0.00 1.25 0.00 0.00 42.46 40.41 1o5p s ILE 110 CO 0.24 0.00 -0.05 -0.55 0.24 0.00 0.00 174.94 174.82 1o5p s SER 111 N -4.38 0.74 -0.12 4.36 0.15 0.18 -4.78 113.70 109.86 1o5p s SER 111 Ca 0.56 -0.92 0.02 0.00 0.70 0.00 0.00 55.95 56.31 1o5p s SER 111 Cb -0.10 0.14 0.01 0.00 -1.71 0.00 0.00 66.02 64.36 1o5p s SER 111 CO 0.35 -0.49 -0.18 -0.36 1.20 0.00 0.00 173.24 173.76 1o5p s PHE 112 N -3.39 2.25 -1.74 3.44 0.40 -1.26 -2.90 117.98 114.77 1o5p s PHE 112 Ca 0.05 -1.07 0.00 0.00 -0.60 0.00 0.00 56.93 55.31 1o5p s PHE 112 Cb 0.04 -1.57 0.00 0.00 0.51 0.00 0.00 43.02 42.00 1o5p s PHE 112 CO -0.06 -0.52 0.44 0.27 0.70 0.00 0.00 175.22 176.04