#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 2.79 0.79 0.00 0.00 -1.26 -5.07 121.76 119.01 1o5p s ALA 2 Ca 0.00 -1.71 -0.13 0.00 0.00 0.00 0.00 51.96 50.12 1o5p s ALA 2 Cb 0.00 -0.44 0.08 0.00 0.00 0.00 0.00 23.12 22.75 1o5p s ALA 2 CO 0.00 0.35 1.20 -1.25 0.00 0.00 0.00 175.76 176.06 1o5p s PRO 3 N -3.18 1.74 0.09 0.00 0.04 -0.01 -4.61 135.00 129.06 1o5p s PRO 3 Ca 0.27 1.72 -0.12 0.00 0.04 0.00 0.00 61.00 62.91 1o5p s PRO 3 Cb -0.07 -1.79 0.02 0.00 0.04 0.00 0.00 34.50 32.70 1o5p s PRO 3 CO 0.14 -2.13 0.29 0.95 0.04 0.00 0.00 177.00 176.29 1o5p s THR 4 N -2.17 0.10 -0.09 1.26 -4.23 1.05 -4.90 115.64 106.67 1o5p s THR 4 Ca 0.73 -0.85 -0.03 0.00 -1.18 0.00 0.00 61.69 60.35 1o5p s THR 4 Cb -0.28 -1.19 0.05 0.00 1.34 0.00 0.00 72.50 72.42 1o5p s THR 4 CO 0.50 -0.47 0.17 0.00 -0.54 0.00 0.00 174.62 174.28 1o5p s ALA 5 N -3.55 -0.27 -0.31 3.99 0.00 -1.26 0.25 121.76 120.62 1o5p s ALA 5 Ca 0.02 0.67 -0.02 0.00 0.00 0.00 0.00 51.96 52.64 1o5p s ALA 5 Cb 0.03 -0.72 0.05 0.00 0.00 0.00 0.00 23.12 22.48 1o5p s ALA 5 CO -0.10 -0.42 0.01 -0.08 0.00 0.00 0.00 175.76 175.17 1o5p s THR 6 N 1.89 2.97 -0.06 0.00 -1.32 -0.26 -4.86 115.64 114.00 1o5p s THR 6 Ca -0.02 -1.46 0.04 0.00 -1.21 0.00 0.00 61.69 59.05 1o5p s THR 6 Cb -0.12 -2.74 -0.02 0.00 -1.51 0.00 0.00 72.50 68.11 1o5p s THR 6 CO -0.06 -0.15 -0.18 -0.69 -2.21 0.00 0.00 174.62 171.32 1o5p s VAL 7 N 1.23 2.69 -0.20 5.08 1.01 -1.26 -0.34 120.40 128.61 1o5p s VAL 7 Ca -0.04 -0.84 -0.30 0.00 0.00 0.00 0.00 61.98 60.79 1o5p s VAL 7 Cb -0.20 -2.04 0.15 0.00 0.00 0.00 0.00 36.38 34.29 1o5p s VAL 7 CO -0.02 0.57 1.14 -0.89 0.00 0.00 0.00 175.10 175.91 1o5p s THR 8 N -0.38 0.00 0.49 3.92 2.01 -0.25 -4.50 115.64 116.93 1o5p s THR 8 Ca 0.03 0.00 -0.19 0.00 0.31 0.00 0.00 61.69 61.84 1o5p s THR 8 Cb -0.12 -1.00 -0.08 0.00 0.01 0.00 0.00 72.50 71.30 1o5p s THR 8 CO 0.02 0.00 1.00 -2.16 -0.69 0.00 0.00 174.62 172.79 1o5p s PRO 9 N -1.26 3.90 0.04 4.92 0.05 -1.26 -0.54 135.00 140.85 1o5p s PRO 9 Ca 0.03 1.17 0.20 0.00 0.05 0.00 0.00 61.00 62.46 1o5p s PRO 9 Cb -0.01 -2.12 -0.17 0.00 0.05 0.00 0.00 34.50 32.25 1o5p s PRO 9 CO -0.03 -0.33 0.70 -1.13 0.05 0.00 0.00 177.00 176.26 1o5p n SER 10 N -1.16 0.52 -4.26 6.66 3.41 -1.26 -4.77 113.62 112.76 1o5p n SER 10 Ca 0.08 0.22 -0.15 0.00 -0.26 0.00 0.00 58.87 58.76 1o5p n SER 10 Cb 0.53 0.83 -0.10 0.00 -0.26 0.00 0.00 64.21 65.21 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 -5.30 1.89 -0.21 4.04 0.01 -1.26 0.54 113.70 113.42 1o5p s SER 11 Ca -0.04 -1.02 -0.01 0.00 1.31 0.00 0.00 55.95 56.19 1o5p s SER 11 Cb 0.10 -0.03 0.00 0.00 0.21 0.00 0.00 66.02 66.30 1o5p s SER 11 CO 0.83 -0.31 0.12 0.61 0.41 0.00 0.00 173.24 174.90 1o5p n GLY 12 N -0.22 0.61 0.12 3.44 0.00 -1.15 -4.92 105.19 103.07 1o5p n GLY 12 Ca -0.10 -0.61 -0.22 0.00 0.00 0.00 0.00 46.02 45.09 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 -0.93 2.23 -1.32 0.99 4.77 -1.26 -5.08 117.00 116.40 1o5p n LEU 13 Ca -0.01 0.31 0.00 0.00 -0.03 0.00 0.00 56.01 56.28 1o5p n LEU 13 Cb 0.51 -1.03 0.00 0.00 -2.33 0.00 0.00 43.42 40.58 1o5p n LEU 13 CO 0.08 0.56 -0.40 -0.24 -1.33 0.00 0.00 177.39 176.06 1o5p n SER 14 N -3.98 -7.17 -4.46 -1.43 2.88 -1.26 -3.76 113.62 94.43 1o5p n SER 14 Ca -0.34 1.42 -0.49 0.00 -1.33 0.00 0.00 58.87 58.14 1o5p n SER 14 Cb 0.86 -4.03 -0.07 0.00 -0.75 0.00 0.00 64.21 60.22 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 -2.00 2.10 0.00 -3.46 5.75 -1.26 -2.08 116.55 115.60 1o5p n ASP 15 Ca 0.00 0.33 0.00 0.00 -0.01 0.00 0.00 54.79 55.11 1o5p n ASP 15 Cb 0.29 -1.28 0.00 0.00 -1.03 0.00 0.00 41.12 39.10 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 6.49 1.44 1.74 6.12 0.00 -1.26 -5.05 105.19 114.66 1o5p n GLY 16 Ca 0.42 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.34 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 -0.72 0.00 -4.73 2.61 5.66 -0.88 -4.96 114.28 111.25 1o5p n THR 17 Ca 0.00 -0.89 -0.24 0.00 -3.05 0.00 0.00 64.05 59.87 1o5p n THR 17 Cb 0.00 -0.69 -0.15 0.00 -1.55 0.00 0.00 70.33 67.93 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 -0.72 1.24 0.18 1.08 1.01 -1.26 -2.03 120.40 119.91 1o5p s VAL 18 Ca 0.25 -0.65 0.10 0.00 0.00 0.00 0.00 61.98 61.68 1o5p s VAL 18 Cb -0.02 -1.05 -0.04 0.00 0.00 0.00 0.00 36.38 35.27 1o5p s VAL 18 CO 0.16 0.36 -0.17 0.68 0.00 0.00 0.00 175.10 176.12 1o5p s VAL 19 N -0.20 2.75 -0.34 2.92 -7.23 0.18 -4.70 120.40 113.78 1o5p s VAL 19 Ca 0.02 -1.85 -0.06 0.00 -1.81 0.00 0.00 61.98 58.29 1o5p s VAL 19 Cb -0.08 -2.34 0.04 0.00 0.56 0.00 0.00 36.38 34.57 1o5p s VAL 19 CO 0.00 -0.11 0.11 -0.75 -0.31 0.00 0.00 175.10 174.04 1o5p s LYS 20 N -2.72 2.58 -0.10 4.82 2.20 0.30 -0.72 119.74 126.10 1o5p s LYS 20 Ca 0.23 -1.23 -0.05 0.00 -0.36 0.00 0.00 55.97 54.56 1o5p s LYS 20 Cb -0.08 -3.46 -0.04 0.00 -1.51 0.00 0.00 37.83 32.74 1o5p s LYS 20 CO 0.12 -0.69 0.10 0.54 -0.36 0.00 0.00 175.35 175.06 1o5p s VAL 21 N 1.38 5.17 0.10 4.02 0.11 -0.87 -1.09 120.40 129.22 1o5p s VAL 21 Ca -0.01 0.05 0.03 0.00 -2.93 0.00 0.00 61.98 59.12 1o5p s VAL 21 Cb -0.20 -3.24 -0.04 0.00 -1.53 0.00 0.00 36.38 31.37 1o5p s VAL 21 CO 0.02 0.59 -0.08 0.00 -3.33 0.00 0.00 175.10 172.31 1o5p s ALA 22 N -1.01 1.08 -0.19 1.54 0.00 0.53 -1.34 121.76 122.37 1o5p s ALA 22 Ca 0.15 -1.31 -0.05 0.00 0.00 0.00 0.00 51.96 50.76 1o5p s ALA 22 Cb -0.12 0.10 0.06 0.00 0.00 0.00 0.00 23.12 23.17 1o5p s ALA 22 CO 0.04 -0.15 0.09 0.20 0.00 0.00 0.00 175.76 175.95 1o5p s GLY 23 N -2.84 0.41 -0.04 0.00 0.00 0.21 -1.10 107.32 103.96 1o5p s GLY 23 Ca 0.10 -0.44 0.05 0.00 0.00 0.00 0.00 44.72 44.43 1o5p s GLY 23 CO -0.02 1.73 -0.19 0.00 0.00 0.00 0.00 173.10 174.62 1o5p s ALA 24 N 2.10 2.46 0.00 3.20 0.00 0.70 0.50 121.76 130.72 1o5p s ALA 24 Ca 0.03 -1.03 0.00 0.00 0.00 0.00 0.00 51.96 50.95 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 -0.12 0.53 0.00 0.41 0.00 0.00 0.00 175.76 176.58 1o5p n GLY 25 N 2.42 0.74 3.98 0.00 0.00 -0.91 0.34 105.19 111.76 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 3.27 -0.83 0.99 1.43 -0.75 -0.83 118.68 121.96 1o5p s LEU 26 Ca 0.00 -0.07 -0.31 0.00 -1.03 0.00 0.00 54.13 52.72 1o5p s LEU 26 Cb 0.00 -2.79 -0.18 0.00 0.03 0.00 0.00 46.19 43.25 1o5p s LEU 26 CO 0.00 -1.17 2.58 0.00 0.23 0.00 0.00 176.35 177.99 1o5p n GLN 27 N -2.34 0.26 -1.31 1.70 3.00 -1.26 -4.01 117.38 113.41 1o5p n GLN 27 Ca 0.08 0.01 -0.18 0.00 -0.01 0.00 0.00 57.00 56.91 1o5p n GLN 27 Cb 0.60 -1.93 -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 11.32 0.33 0.00 -1.58 0.00 -1.25 -1.18 120.51 128.14 1o5p n ALA 28 Ca 0.58 -2.14 0.00 0.00 0.00 0.00 0.00 53.44 51.88 1o5p n ALA 28 Cb 0.14 -3.04 0.00 0.00 0.00 0.00 0.00 19.45 16.54 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 5.70 0.37 2.64 0.00 0.00 0.96 -4.82 105.19 110.04 1o5p n GLY 29 Ca 0.37 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.45 0.27 -0.34 2.61 -4.23 -0.33 -4.87 115.64 108.30 1o5p s THR 30 Ca 0.00 -0.71 -0.35 0.00 -1.18 0.00 0.00 61.69 59.45 1o5p s THR 30 Cb 0.00 -1.05 -0.11 0.00 1.34 0.00 0.00 72.50 72.69 1o5p s THR 30 CO 0.00 -0.49 2.19 0.00 -0.54 0.00 0.00 174.62 175.78 1o5p n ALA 31 N 5.12 1.13 -2.79 3.99 0.00 -1.26 -2.72 120.51 123.98 1o5p n ALA 31 Ca -0.06 -0.07 -0.25 0.00 0.00 0.00 0.00 53.44 53.06 1o5p n ALA 31 Cb 0.45 -2.57 -0.05 0.00 0.00 0.00 0.00 19.45 17.27 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 7.37 3.10 0.24 0.00 2.02 0.13 -4.62 117.35 125.60 1o5p s TYR 32 Ca 1.09 -0.06 0.05 0.00 -0.37 0.00 0.00 57.07 57.78 1o5p s TYR 32 Cb -0.83 -1.46 -0.03 0.00 -0.40 0.00 0.00 41.96 39.24 1o5p s TYR 32 CO 0.48 0.52 0.36 0.34 -1.57 0.00 0.00 175.55 175.68 1o5p s ASP 33 N -3.30 6.28 -0.05 2.29 -1.08 0.77 -1.42 116.67 120.15 1o5p s ASP 33 Ca 0.31 0.05 -0.02 0.00 -0.52 0.00 0.00 52.55 52.37 1o5p s ASP 33 Cb -0.09 -1.82 0.03 0.00 -1.46 0.00 0.00 42.92 39.58 1o5p s ASP 33 CO 0.23 -0.08 0.08 0.54 0.52 0.00 0.00 175.17 176.47 1o5p s VAL 34 N -1.99 -0.14 0.13 1.11 0.11 -0.91 -1.49 120.40 117.22 1o5p s VAL 34 Ca 0.34 0.39 -0.20 0.00 -2.93 0.00 0.00 61.98 59.59 1o5p s VAL 34 Cb -0.09 -0.20 0.07 0.00 -1.53 0.00 0.00 36.38 34.64 1o5p s VAL 34 CO 0.29 0.16 0.96 0.61 -3.33 0.00 0.00 175.10 173.78 1o5p n GLY 35 N 5.30 0.61 3.43 6.54 0.00 -0.91 -0.34 105.19 119.82 1o5p n GLY 35 Ca -0.03 -1.11 -0.43 0.00 0.00 0.00 0.00 46.02 44.45 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 -2.55 119.66 116.35 1o5p s GLN 36 Ca 0.21 -1.10 0.05 0.00 -1.82 0.00 0.00 55.36 52.71 1o5p s GLN 36 Cb -0.02 -3.96 -0.03 0.00 -1.09 0.00 0.00 33.01 27.91 1o5p s GLN 36 CO 0.04 -0.79 -0.14 0.00 -1.32 0.00 0.00 175.29 173.08 1o5p s ALA 38 N -1.33 1.63 -0.35 0.00 0.00 -0.81 -1.92 121.76 118.99 1o5p s ALA 38 Ca -0.02 -0.83 -0.17 0.00 0.00 0.00 0.00 51.96 50.94 1o5p s ALA 38 Cb -0.10 -0.43 -0.01 0.00 0.00 0.00 0.00 23.12 22.59 1o5p s ALA 38 CO 0.02 0.39 0.44 -1.58 0.00 0.00 0.00 175.76 175.03 1o5p s TRP 39 N -0.40 3.19 -0.75 0.00 0.51 -1.26 -1.82 118.94 118.41 1o5p s TRP 39 Ca 0.06 0.08 0.16 0.00 -2.12 0.00 0.00 56.10 54.28 1o5p s TRP 39 Cb -0.08 -2.81 0.58 0.00 -0.81 0.00 0.00 33.47 30.35 1o5p s TRP 39 CO -0.00 -0.49 1.49 1.33 -0.51 0.00 0.00 176.95 178.77 1o5p n VAL 40 N 5.34 1.83 -1.20 4.03 0.24 -0.90 -4.76 118.33 122.90 1o5p n VAL 40 Ca -0.07 -1.36 0.00 0.00 -2.04 0.00 0.00 64.34 60.87 1o5p n VAL 40 Cb 0.49 0.08 0.00 0.00 -1.47 0.00 0.00 33.84 32.94 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 0.48 0.00 -4.55 -1.34 9.92 -1.26 -4.95 116.55 114.85 1o5p n ASP 41 Ca 0.21 0.00 -0.35 0.00 -0.53 0.00 0.00 54.79 54.12 1o5p n ASP 41 Cb 0.80 0.00 -0.04 0.00 -0.64 0.00 0.00 41.12 41.25 1o5p n ASP 41 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 1o5p s THR 42 N -2.37 3.39 0.00 -3.53 -1.32 -1.26 -2.77 115.64 107.78 1o5p s THR 42 Ca 0.00 0.05 0.00 0.00 -1.21 0.00 0.00 61.69 60.53 1o5p s THR 42 Cb 0.00 -3.99 0.00 0.00 -1.51 0.00 0.00 72.50 67.00 1o5p s THR 42 CO 0.00 -0.95 0.00 0.61 -2.21 0.00 0.00 174.62 172.07 1o5p n GLY 43 N 6.00 0.61 3.13 6.08 0.00 -1.26 -5.04 105.19 114.71 1o5p n GLY 43 Ca 0.25 -0.78 -0.34 0.00 0.00 0.00 0.00 46.02 45.15 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 2.87 -0.33 1.61 1.01 -1.11 -5.00 120.40 117.45 1o5p s VAL 44 Ca 0.00 -1.69 0.00 0.00 0.00 0.00 0.00 61.98 60.30 1o5p s VAL 44 Cb 0.00 -2.79 0.08 0.00 0.00 0.00 0.00 36.38 33.67 1o5p s VAL 44 CO 0.00 -0.29 0.05 -0.22 0.00 0.00 0.00 175.10 174.64 1o5p s LEU 45 N 1.17 4.42 -0.43 3.92 2.96 -1.26 -2.12 118.68 127.34 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 -1.70 0.03 0.00 0.50 0.00 0.00 46.19 44.82 1o5p s LEU 45 CO -0.03 -0.36 0.40 0.00 -1.32 0.00 0.00 176.35 175.04 1o5p s ALA 46 N 1.11 3.45 0.42 5.97 0.00 -0.75 -3.45 121.76 128.51 1o5p s ALA 46 Ca 0.02 -1.66 0.08 0.00 0.00 0.00 0.00 51.96 50.40 1o5p s ALA 46 Cb -0.20 -3.02 -0.01 0.00 0.00 0.00 0.00 23.12 19.89 1o5p s ALA 46 CO -0.04 -1.59 0.45 0.00 0.00 0.00 0.00 175.76 174.58 1o5p s ASN 48 N -4.22 4.97 0.00 0.00 2.47 -0.77 -0.82 114.94 116.57 1o5p s ASN 48 Ca 0.51 -0.01 0.00 0.00 0.42 0.00 0.00 52.86 53.78 1o5p s ASN 48 Cb -0.06 -1.60 0.00 0.00 -1.45 0.00 0.00 41.25 38.14 1o5p s ASN 48 CO 0.30 0.27 0.55 -0.81 -3.72 0.00 0.00 177.10 173.69 1o5p n PRO 49 N 2.89 0.72 0.00 0.43 -0.04 -1.26 -3.01 135.00 134.73 1o5p n PRO 49 Ca -0.18 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.28 1o5p n PRO 49 Cb 0.53 -1.24 0.00 0.00 -0.04 0.00 0.00 33.50 32.74 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 0.40 2.36 -1.73 0.55 0.00 -1.26 -4.58 120.51 116.25 1o5p n ALA 50 Ca 0.00 -0.62 0.01 0.00 0.00 0.00 0.00 53.44 52.83 1o5p n ALA 50 Cb 0.28 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.74 1o5p n ALA 50 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1o5p n ASP 51 N -0.13 0.34 -4.55 0.00 9.92 -1.16 -2.92 116.55 118.05 1o5p n ASP 51 Ca 0.00 -2.02 -0.42 0.00 -0.53 0.00 0.00 54.79 51.82 1o5p n ASP 51 Cb 0.06 -0.20 -0.03 0.00 -0.64 0.00 0.00 41.12 40.32 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 -0.38 2.64 0.00 1.24 0.08 -1.25 -3.06 117.98 117.24 1o5p s PHE 52 Ca 0.04 -1.02 0.00 0.00 0.12 0.00 0.00 56.93 56.07 1o5p s PHE 52 Cb 0.04 -4.66 0.00 0.00 -0.57 0.00 0.00 43.02 37.83 1o5p s PHE 52 CO 0.00 -1.87 0.00 0.43 -0.10 0.00 0.00 175.22 173.69 1o5p n SER 53 N 8.53 0.94 0.00 1.36 7.64 0.53 -4.93 113.62 127.70 1o5p n SER 53 Ca 0.34 -0.62 0.00 0.00 1.01 0.00 0.00 58.87 59.60 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 -1.28 0.00 -3.64 6.43 2.88 -1.26 -2.15 113.62 114.60 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 -0.06 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 -0.60 0.05 -0.07 2.46 0.11 -0.51 -4.96 120.40 116.88 1o5p s VAL 55 Ca 0.00 -0.44 -0.08 0.00 -2.93 0.00 0.00 61.98 58.53 1o5p s VAL 55 Cb 0.00 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.80 1o5p s VAL 55 CO 0.00 -0.25 0.20 -0.89 -3.33 0.00 0.00 175.10 170.83 1o5p s THR 56 N -2.77 5.41 -0.35 5.04 2.01 -1.26 0.20 115.64 123.92 1o5p s THR 56 Ca -0.03 0.25 -0.27 0.00 0.31 0.00 0.00 61.69 61.94 1o5p s THR 56 Cb -0.00 -3.48 -0.05 0.00 0.01 0.00 0.00 72.50 68.98 1o5p s THR 56 CO -0.04 0.55 2.21 0.00 -0.69 0.00 0.00 174.62 176.64 1o5p s ALA 57 N -1.11 2.35 0.01 7.40 0.00 -1.10 -4.71 121.76 124.59 1o5p s ALA 57 Ca 0.19 0.38 0.00 0.00 0.00 0.00 0.00 51.96 52.53 1o5p s ALA 57 Cb -0.13 -4.17 0.00 0.00 0.00 0.00 0.00 23.12 18.82 1o5p s ALA 57 CO 0.09 -3.39 0.00 -0.40 0.00 0.00 0.00 175.76 172.06 1o5p n ASP 58 N 12.96 0.00 -0.12 0.00 5.75 -1.26 0.32 116.55 134.20 1o5p n ASP 58 Ca 0.31 0.00 -0.05 0.00 -0.01 0.00 0.00 54.79 55.04 1o5p n ASP 58 Cb 0.49 0.00 0.02 0.00 -1.03 0.00 0.00 41.12 40.59 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 -2.03 0.23 0.00 2.12 0.00 -1.92 -3.10 119.26 114.57 1o5p h ALA 59 Ca 0.00 0.16 -0.31 0.00 0.00 0.00 0.00 54.91 54.76 1o5p h ALA 59 Cb 0.00 0.35 -0.06 0.00 0.00 0.00 0.00 17.79 18.08 1o5p h ALA 59 CO 0.00 -0.48 -2.16 -1.71 0.00 0.00 0.00 179.25 174.90 1o5p n ASN 60 N -5.33 1.39 0.00 0.00 2.85 -1.26 -4.53 115.26 108.38 1o5p n ASN 60 Ca 0.02 -0.04 0.00 0.00 -0.11 0.00 0.00 54.58 54.46 1o5p n ASN 60 Cb 0.24 0.49 0.00 0.00 1.24 0.00 0.00 39.78 41.75 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 2.15 0.75 3.58 8.20 0.00 -1.17 -1.81 105.19 116.88 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 -1.36 5.57 -0.20 1.61 0.01 -1.22 -2.14 113.70 115.98 1o5p s SER 62 Ca 0.00 -0.01 -0.03 0.00 1.31 0.00 0.00 55.95 57.21 1o5p s SER 62 Cb 0.00 -1.98 0.06 0.00 0.21 0.00 0.00 66.02 64.31 1o5p s SER 62 CO 0.00 0.08 0.05 0.00 0.41 0.00 0.00 173.24 173.78 1o5p s ALA 63 N 0.96 0.88 -0.12 1.44 0.00 0.18 -4.63 121.76 120.47 1o5p s ALA 63 Ca 0.05 -0.66 0.01 0.00 0.00 0.00 0.00 51.96 51.35 1o5p s ALA 63 Cb -0.14 -1.17 0.02 0.00 0.00 0.00 0.00 23.12 21.83 1o5p s ALA 63 CO 0.03 -1.21 -0.13 -1.12 0.00 0.00 0.00 175.76 173.33 1o5p s SER 64 N 1.92 2.43 -0.04 0.00 0.01 -1.26 0.67 113.70 117.43 1o5p s SER 64 Ca 0.00 -0.41 -0.05 0.00 1.31 0.00 0.00 55.95 56.80 1o5p s SER 64 Cb -0.17 -1.05 0.01 0.00 0.21 0.00 0.00 66.02 65.02 1o5p s SER 64 CO -0.10 -0.05 0.13 0.28 0.41 0.00 0.00 173.24 173.92 1o5p s THR 65 N 1.35 0.02 -0.17 1.44 -1.32 -0.45 -4.98 115.64 111.52 1o5p s THR 65 Ca 0.00 -0.13 -0.11 0.00 -1.21 0.00 0.00 61.69 60.24 1o5p s THR 65 Cb -0.14 -0.24 -0.05 0.00 -1.51 0.00 0.00 72.50 70.57 1o5p s THR 65 CO -0.07 -0.07 0.19 -0.94 -2.21 0.00 0.00 174.62 171.52 1o5p s SER 66 N -0.19 6.32 0.40 8.08 1.04 -1.26 -2.04 113.70 126.05 1o5p s SER 66 Ca -0.03 0.37 0.04 0.00 0.48 0.00 0.00 55.95 56.82 1o5p s SER 66 Cb -0.02 -2.12 -0.02 0.00 0.10 0.00 0.00 66.02 63.95 1o5p s SER 66 CO 0.00 0.19 0.15 -0.76 0.98 0.00 0.00 173.24 173.80 1o5p s LEU 67 N 0.17 1.95 -0.24 2.42 1.02 0.10 -4.90 118.68 119.20 1o5p s LEU 67 Ca 0.12 -1.70 -0.09 0.00 0.02 0.00 0.00 54.13 52.48 1o5p s LEU 67 Cb -0.12 -0.00 -0.04 0.00 0.02 0.00 0.00 46.19 46.05 1o5p s LEU 67 CO 0.01 -0.96 0.13 0.42 0.02 0.00 0.00 176.35 175.96 1o5p s THR 68 N -3.24 4.98 0.01 5.49 -4.23 -1.15 0.49 115.64 118.00 1o5p s THR 68 Ca 0.26 0.05 0.05 0.00 -1.18 0.00 0.00 61.69 60.87 1o5p s THR 68 Cb 0.02 -3.32 -0.02 0.00 1.34 0.00 0.00 72.50 70.52 1o5p s THR 68 CO 0.16 0.34 -0.15 0.68 -0.54 0.00 0.00 174.62 175.11 1o5p s VAL 69 N 1.23 1.21 0.25 2.29 -7.23 -0.86 -4.31 120.40 112.98 1o5p s VAL 69 Ca 0.06 -0.81 -0.01 0.00 -1.81 0.00 0.00 61.98 59.41 1o5p s VAL 69 Cb -0.14 -1.04 0.01 0.00 0.56 0.00 0.00 36.38 35.76 1o5p s VAL 69 CO 0.05 0.22 0.34 -2.11 -0.31 0.00 0.00 175.10 173.29 1o5p n ARG 70 N 2.36 0.49 0.00 4.82 1.85 -1.26 -4.10 116.66 120.83 1o5p n ARG 70 Ca -0.16 -1.98 0.00 0.00 -1.00 0.00 0.00 57.85 54.71 1o5p n ARG 70 Cb 0.55 1.90 0.00 0.00 -1.05 0.00 0.00 32.46 33.86 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 -0.41 0.00 -1.77 2.89 1.85 -1.26 -4.65 116.66 113.31 1o5p n ARG 71 Ca 0.01 0.00 -0.41 0.00 -1.00 0.00 0.00 57.85 56.44 1o5p n ARG 71 Cb 0.41 0.00 -0.01 0.00 -1.05 0.00 0.00 32.46 31.82 1o5p n ARG 71 CO 0.00 0.00 0.00 -1.12 -0.01 0.00 0.00 177.63 176.50 1o5p s SER 72 N -1.97 6.33 -0.13 2.89 0.01 -1.25 -2.04 113.70 117.54 1o5p s SER 72 Ca 0.00 3.04 -0.29 0.00 1.31 0.00 0.00 55.95 60.00 1o5p s SER 72 Cb 0.00 -2.66 0.08 0.00 0.21 0.00 0.00 66.02 63.65 1o5p s SER 72 CO 0.00 -0.91 0.75 0.72 0.41 0.00 0.00 173.24 174.21 1o5p s PHE 73 N -0.69 -0.64 -0.42 2.43 -0.12 -0.68 -4.84 117.98 113.03 1o5p s PHE 73 Ca 0.57 1.23 -0.41 0.00 -0.05 0.00 0.00 56.93 58.27 1o5p s PHE 73 Cb -0.47 0.38 -0.18 0.00 -0.63 0.00 0.00 43.02 42.12 1o5p s PHE 73 CO 0.58 -0.50 1.39 0.39 -0.05 0.00 0.00 175.22 177.03 1o5p n GLU 74 N 1.33 0.00 -1.46 1.99 4.71 -1.26 -0.77 120.64 125.18 1o5p n GLU 74 Ca -0.16 0.00 -0.26 0.00 -0.01 0.00 0.00 57.16 56.72 1o5p n GLU 74 Cb 0.57 -1.33 -0.05 0.00 -1.01 0.00 0.00 31.44 29.62 1o5p n GLU 74 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1o5p n GLY 75 N 3.44 4.33 3.14 0.62 0.00 -0.27 -3.25 105.19 113.19 1o5p n GLY 75 Ca 0.27 -1.85 -0.57 0.00 0.00 0.00 0.00 46.02 43.87 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 0.86 1.29 -3.07 1.61 3.01 -0.00 -2.19 117.46 118.97 1o5p n PHE 76 Ca 0.48 0.85 -0.40 0.00 1.01 0.00 0.00 57.45 59.39 1o5p n PHE 76 Cb 0.56 -2.04 -0.05 0.00 -0.01 0.00 0.00 39.48 37.93 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 4.21 4.24 -0.30 4.37 2.96 -0.72 -1.75 118.68 131.70 1o5p s LEU 77 Ca 1.02 1.04 -0.02 0.00 -0.22 0.00 0.00 54.13 55.95 1o5p s LEU 77 Cb -1.36 -3.00 -0.03 0.00 0.50 0.00 0.00 46.19 42.31 1o5p s LEU 77 CO 0.66 -0.19 1.39 0.33 -1.32 0.00 0.00 176.35 177.22 1o5p n PHE 78 N 4.38 0.44 -2.00 5.38 7.35 -1.22 -2.91 117.46 128.88 1o5p n PHE 78 Ca -0.01 -0.95 0.00 0.00 -0.76 0.00 0.00 57.45 55.73 1o5p n PHE 78 Cb 0.50 -0.96 0.00 0.00 0.35 0.00 0.00 39.48 39.38 1o5p n PHE 78 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 1o5p n ASP 79 N 4.40 0.00 0.00 -2.13 -0.08 -1.26 -4.98 116.55 112.50 1o5p n ASP 79 Ca 0.16 -1.02 0.00 0.00 -1.51 0.00 0.00 54.79 52.42 1o5p n ASP 79 Cb 0.07 -0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.53 1o5p n ASP 79 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1o5p n GLY 80 N 0.00 2.83 3.96 0.27 0.00 -1.15 -4.99 105.19 106.12 1o5p n GLY 80 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.14 4.39 -0.12 2.61 -4.23 -1.26 -4.97 115.64 110.92 1o5p s THR 81 Ca 0.00 -0.71 -0.03 0.00 -1.18 0.00 0.00 61.69 59.76 1o5p s THR 81 Cb 0.00 -3.58 -0.03 0.00 1.34 0.00 0.00 72.50 70.23 1o5p s THR 81 CO 0.00 -0.32 0.01 0.00 -0.54 0.00 0.00 174.62 173.77 1o5p s ARG 82 N -4.32 3.32 0.33 3.99 1.70 -1.26 -1.75 118.95 120.95 1o5p s ARG 82 Ca 0.44 -0.40 0.24 0.00 -0.47 0.00 0.00 55.73 55.53 1o5p s ARG 82 Cb -0.10 -2.91 0.37 0.00 -0.57 0.00 0.00 34.95 31.75 1o5p s ARG 82 CO 0.34 0.54 1.52 2.35 -1.08 0.00 0.00 175.30 178.98 1o5p h TRP 83 N 5.72 0.00 0.00 5.89 7.01 -1.76 -3.45 115.95 129.35 1o5p h TRP 83 Ca -0.45 0.00 0.00 0.00 2.11 0.00 0.00 58.89 60.55 1o5p h TRP 83 Cb 1.19 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 28.25 1o5p h TRP 83 CO 0.61 0.00 0.00 0.41 -2.79 0.00 0.00 178.44 176.67 1o5p n GLY 84 N 1.17 1.74 3.60 2.65 0.00 -1.26 -4.92 105.19 108.17 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 -1.66 3.22 -0.60 2.61 -4.23 -1.26 -1.11 115.64 112.60 1o5p s THR 85 Ca 0.00 0.22 -0.28 0.00 -1.18 0.00 0.00 61.69 60.45 1o5p s THR 85 Cb 0.00 -3.31 0.03 0.00 1.34 0.00 0.00 72.50 70.56 1o5p s THR 85 CO 0.00 -0.20 1.20 -0.69 -0.54 0.00 0.00 174.62 174.39 1o5p s VAL 86 N 7.89 3.97 -0.31 2.29 1.01 0.05 -4.67 120.40 130.63 1o5p s VAL 86 Ca 0.91 0.83 -0.28 0.00 0.00 0.00 0.00 61.98 63.43 1o5p s VAL 86 Cb -0.27 -4.76 -0.03 0.00 0.00 0.00 0.00 36.38 31.33 1o5p s VAL 86 CO 0.34 -1.42 1.90 -1.81 0.00 0.00 0.00 175.10 174.11 1o5p s ASP 87 N 3.07 5.77 0.00 3.32 1.01 -1.26 -1.69 116.67 126.90 1o5p s ASP 87 Ca 0.42 1.42 0.03 0.00 0.71 0.00 0.00 52.55 55.13 1o5p s ASP 87 Cb -0.08 -2.52 0.17 0.00 1.01 0.00 0.00 42.92 41.50 1o5p s ASP 87 CO 0.24 -1.78 0.86 0.00 0.21 0.00 0.00 175.17 174.70 1o5p n THR 89 N -1.22 0.18 -0.03 0.00 -2.24 -1.26 -4.24 114.28 105.47 1o5p n THR 89 Ca 0.02 -0.34 -0.05 0.00 -2.27 0.00 0.00 64.05 61.40 1o5p n THR 89 Cb 0.02 0.42 -0.02 0.00 -2.10 0.00 0.00 70.33 68.65 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 0.33 0.28 -3.46 4.28 -2.24 -0.06 -5.07 114.28 108.34 1o5p n THR 90 Ca 0.17 -0.07 -0.23 0.00 -2.27 0.00 0.00 64.05 61.64 1o5p n THR 90 Cb 0.34 -1.56 0.03 0.00 -2.10 0.00 0.00 70.33 67.05 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 4.61 -0.35 6.98 0.00 -1.20 -5.08 121.76 124.62 1o5p s ALA 91 Ca -0.07 -1.69 -0.12 0.00 0.00 0.00 0.00 51.96 50.07 1o5p s ALA 91 Cb 0.03 -1.09 -0.00 0.00 0.00 0.00 0.00 23.12 22.06 1o5p s ALA 91 CO 0.09 -0.69 0.23 0.00 0.00 0.00 0.00 175.76 175.39 1o5p s ALA 92 N -2.75 3.43 -0.26 0.00 0.00 -1.26 -4.75 121.76 116.17 1o5p s ALA 92 Ca 0.48 -1.50 -0.13 0.00 0.00 0.00 0.00 51.96 50.80 1o5p s ALA 92 Cb -0.04 -2.65 -0.04 0.00 0.00 0.00 0.00 23.12 20.39 1o5p s ALA 92 CO 0.30 -1.12 0.30 0.00 0.00 0.00 0.00 175.76 175.25 1o5p s GLN 94 N 1.75 3.01 -0.38 0.00 -0.21 -0.81 -2.54 119.66 120.48 1o5p s GLN 94 Ca 0.13 -0.59 -0.11 0.00 0.02 0.00 0.00 55.36 54.81 1o5p s GLN 94 Cb -0.15 -2.81 0.03 0.00 1.00 0.00 0.00 33.01 31.08 1o5p s GLN 94 CO 0.09 0.60 0.21 0.08 -2.12 0.00 0.00 175.29 174.15 1o5p s VAL 95 N -1.34 4.49 0.00 1.09 1.01 0.14 -2.17 120.40 123.62 1o5p s VAL 95 Ca 0.28 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 61.32 1o5p s VAL 95 Cb -0.12 -3.54 0.00 0.00 0.00 0.00 0.00 36.38 32.72 1o5p s VAL 95 CO 0.20 -0.27 0.00 0.61 0.00 0.00 0.00 175.10 175.64 1o5p n GLY 96 N 4.98 2.98 3.72 4.51 0.00 -1.06 0.35 105.19 120.67 1o5p n GLY 96 Ca -0.12 -1.30 -0.32 0.00 0.00 0.00 0.00 46.02 44.29 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 2.35 0.00 0.99 1.02 -1.24 -2.14 118.68 119.66 1o5p s LEU 97 Ca 0.00 -1.61 0.00 0.00 0.02 0.00 0.00 54.13 52.54 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 -0.80 0.00 -0.24 0.02 0.00 0.00 176.35 175.33 1o5p n SER 98 N -1.22 0.00 0.00 2.29 2.88 -0.56 -4.27 113.62 112.74 1o5p n SER 98 Ca -0.16 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.38 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 0.28 -1.57 -3.46 5.75 -1.24 0.27 116.55 116.59 1o5p n ASP 99 Ca 0.00 0.00 -0.15 0.00 -0.01 0.00 0.00 54.79 54.63 1o5p n ASP 99 Cb 0.00 0.00 0.11 0.00 -1.03 0.00 0.00 41.12 40.20 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 4.73 -0.04 2.12 0.00 -1.26 -4.60 120.51 118.45 1o5p n ALA 100 Ca 0.00 -3.52 -0.05 0.00 0.00 0.00 0.00 53.44 49.87 1o5p n ALA 100 Cb 0.00 -0.57 -0.06 0.00 0.00 0.00 0.00 19.45 18.82 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 1.79 0.00 0.00 0.00 -1.26 -5.01 120.51 115.12 1o5p n ALA 101 Ca 0.38 -0.53 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1o5p n ALA 101 Cb 0.90 0.12 0.00 0.00 0.00 0.00 0.00 19.45 20.46 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 2.61 1.09 2.83 0.00 0.00 -1.26 -5.14 105.19 105.32 1o5p n GLY 102 Ca -0.15 -0.08 -0.05 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 -1.52 -0.12 1.61 5.03 -1.26 -5.00 115.26 113.99 1o5p n ASN 103 Ca 0.00 -1.95 0.00 0.00 0.87 0.00 0.00 54.58 53.50 1o5p n ASN 103 Cb 0.00 2.51 0.00 0.00 -1.02 0.00 0.00 39.78 41.27 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 1.76 3.00 7.41 0.00 -1.26 -3.65 105.19 111.99 1o5p n GLY 104 Ca -0.04 -0.70 -0.20 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 -1.46 -2.78 1.61 -0.01 -1.26 -4.90 135.00 126.20 1o5p n PRO 105 Ca 0.00 -0.43 -0.22 0.00 -0.01 0.00 0.00 63.50 62.84 1o5p n PRO 105 Cb 0.00 -1.35 0.09 0.00 -0.01 0.00 0.00 33.50 32.23 1o5p n PRO 105 CO 0.00 0.00 0.00 -1.83 -0.01 0.00 0.00 175.50 173.66 1o5p s GLU 106 N -3.00 1.89 0.42 -0.52 -1.05 -1.26 -4.58 118.70 110.59 1o5p s GLU 106 Ca 0.32 -1.36 0.07 0.00 -0.15 0.00 0.00 54.97 53.85 1o5p s GLU 106 Cb -0.03 -2.46 -0.06 0.00 -0.44 0.00 0.00 34.13 31.14 1o5p s GLU 106 CO 0.36 -1.25 0.12 0.20 0.95 0.00 0.00 175.26 175.64 1o5p s GLY 107 N -4.73 2.42 -0.14 -3.83 0.00 -1.26 -3.73 107.32 96.05 1o5p s GLY 107 Ca 0.65 -2.13 -0.04 0.00 0.00 0.00 0.00 44.72 43.20 1o5p s GLY 107 CO 0.42 -1.99 -0.01 0.14 0.00 0.00 0.00 173.10 171.67 1o5p s VAL 108 N -2.65 4.20 -0.06 1.40 1.01 0.15 -4.76 120.40 119.69 1o5p s VAL 108 Ca 0.38 -0.26 -0.30 0.00 0.00 0.00 0.00 61.98 61.80 1o5p s VAL 108 Cb 0.06 -2.83 -0.03 0.00 0.00 0.00 0.00 36.38 33.58 1o5p s VAL 108 CO 0.20 0.52 1.24 0.00 0.00 0.00 0.00 175.10 177.07 1o5p s ALA 109 N -0.04 3.53 0.48 5.51 0.00 -1.26 0.24 121.76 130.22 1o5p s ALA 109 Ca 0.03 0.64 0.06 0.00 0.00 0.00 0.00 51.96 52.69 1o5p s ALA 109 Cb -0.13 -3.55 0.03 0.00 0.00 0.00 0.00 23.12 19.47 1o5p s ALA 109 CO 0.02 -0.85 0.66 0.96 0.00 0.00 0.00 175.76 176.55 1o5p s ILE 110 N 2.46 2.81 0.05 0.00 -4.36 -1.05 -4.85 121.20 116.24 1o5p s ILE 110 Ca 0.57 -0.90 -0.00 0.00 -0.26 0.00 0.00 60.65 60.06 1o5p s ILE 110 Cb -0.25 -2.91 -0.03 0.00 1.25 0.00 0.00 42.46 40.51 1o5p s ILE 110 CO 0.22 0.00 -0.04 -0.44 0.24 0.00 0.00 174.94 174.92 1o5p s SER 111 N -4.41 0.54 -0.56 4.36 0.01 0.19 -4.76 113.70 109.07 1o5p s SER 111 Ca 0.57 -0.84 0.05 0.00 1.31 0.00 0.00 55.95 57.04 1o5p s SER 111 Cb -0.10 0.15 0.19 0.00 0.21 0.00 0.00 66.02 66.47 1o5p s SER 111 CO 0.35 -0.48 0.48 0.49 0.41 0.00 0.00 173.24 174.50 1o5p n PHE 112 N 0.56 1.47 0.00 2.43 3.01 -1.26 -2.95 117.46 120.73 1o5p n PHE 112 Ca -0.17 -3.86 0.00 0.00 1.01 0.00 0.00 57.45 54.43 1o5p n PHE 112 Cb 0.59 -0.28 0.00 0.00 -0.01 0.00 0.00 39.48 39.78 1o5p n PHE 112 CO 0.00 0.00 0.00 0.27 1.01 0.00 0.00 176.76 178.04