#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 2.83 0.85 0.00 0.00 -1.26 -4.95 121.76 119.23 1o5p s ALA 2 Ca 0.00 -1.74 -0.12 0.00 0.00 0.00 0.00 51.96 50.10 1o5p s ALA 2 Cb 0.00 -0.44 0.11 0.00 0.00 0.00 0.00 23.12 22.79 1o5p s ALA 2 CO 0.00 0.32 1.19 -2.30 0.00 0.00 0.00 175.76 174.97 1o5p n PRO 3 N -0.46 -0.06 -1.94 0.00 -0.02 -0.49 -4.16 135.00 127.87 1o5p n PRO 3 Ca -0.07 0.06 0.00 0.00 -2.02 0.00 0.00 63.50 61.47 1o5p n PRO 3 Cb 0.59 -2.42 0.00 0.00 -0.02 0.00 0.00 33.50 31.65 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 -3.67 0.00 -3.64 3.45 5.66 0.20 -4.86 114.28 111.42 1o5p n THR 4 Ca 0.13 0.00 -0.06 0.00 -3.05 0.00 0.00 64.05 61.07 1o5p n THR 4 Cb 0.51 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 69.22 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 -2.08 -0.47 1.79 0.00 -1.25 -1.12 121.76 117.63 1o5p s ALA 5 Ca 0.00 2.12 -0.14 0.00 0.00 0.00 0.00 51.96 53.94 1o5p s ALA 5 Cb 0.00 -1.55 0.08 0.00 0.00 0.00 0.00 23.12 21.65 1o5p s ALA 5 CO 0.00 -0.32 0.38 0.95 0.00 0.00 0.00 175.76 176.77 1o5p s THR 6 N 0.97 5.05 -0.15 0.00 -4.23 0.18 -4.76 115.64 112.69 1o5p s THR 6 Ca -0.05 -1.16 0.01 0.00 -1.18 0.00 0.00 61.69 59.32 1o5p s THR 6 Cb -0.04 -4.05 0.01 0.00 1.34 0.00 0.00 72.50 69.76 1o5p s THR 6 CO -0.12 -0.59 -0.19 -0.69 -0.54 0.00 0.00 174.62 172.49 1o5p s VAL 7 N 1.60 2.30 -0.19 2.29 1.01 -1.24 0.13 120.40 126.31 1o5p s VAL 7 Ca 0.04 -0.89 -0.30 0.00 0.00 0.00 0.00 61.98 60.83 1o5p s VAL 7 Cb -0.24 -1.95 0.14 0.00 0.00 0.00 0.00 36.38 34.33 1o5p s VAL 7 CO 0.06 0.53 1.07 -0.89 0.00 0.00 0.00 175.10 175.87 1o5p s THR 8 N 0.88 0.00 0.54 3.92 2.01 -0.50 -4.46 115.64 118.03 1o5p s THR 8 Ca -0.05 0.00 -0.18 0.00 0.31 0.00 0.00 61.69 61.77 1o5p s THR 8 Cb -0.15 -1.00 -0.06 0.00 0.01 0.00 0.00 72.50 71.30 1o5p s THR 8 CO -0.02 0.00 1.04 -2.16 -0.69 0.00 0.00 174.62 172.79 1o5p s PRO 9 N -1.08 3.59 0.06 4.92 0.05 -1.26 -0.65 135.00 140.62 1o5p s PRO 9 Ca 0.00 1.26 0.20 0.00 0.05 0.00 0.00 61.00 62.51 1o5p s PRO 9 Cb -0.01 -2.07 -0.15 0.00 0.05 0.00 0.00 34.50 32.33 1o5p s PRO 9 CO -0.00 -0.60 0.74 0.43 0.05 0.00 0.00 177.00 177.62 1o5p n SER 10 N -1.51 0.58 -4.22 6.66 7.64 -1.26 -4.78 113.62 116.73 1o5p n SER 10 Ca 0.09 0.24 -0.13 0.00 1.01 0.00 0.00 58.87 60.08 1o5p n SER 10 Cb 0.53 0.75 -0.10 0.00 -1.01 0.00 0.00 64.21 64.37 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 -5.34 1.15 -0.23 6.43 0.01 -1.26 0.53 113.70 115.00 1o5p s SER 11 Ca -0.04 -1.13 -0.01 0.00 1.31 0.00 0.00 55.95 56.07 1o5p s SER 11 Cb 0.10 0.12 0.00 0.00 0.21 0.00 0.00 66.02 66.45 1o5p s SER 11 CO 0.83 -0.55 0.15 0.61 0.41 0.00 0.00 173.24 174.69 1o5p n GLY 12 N -0.19 0.63 0.13 3.44 0.00 -1.15 -4.91 105.19 103.14 1o5p n GLY 12 Ca -0.08 -0.57 -0.22 0.00 0.00 0.00 0.00 46.02 45.15 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 -1.08 2.36 -1.00 0.99 4.77 -1.26 -5.06 117.00 116.73 1o5p n LEU 13 Ca -0.01 0.26 0.00 0.00 -0.03 0.00 0.00 56.01 56.23 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 0.09 0.65 -0.30 -0.24 -1.33 0.00 0.00 177.39 176.27 1o5p n SER 14 N -3.84 -5.55 -4.46 -1.43 2.88 -1.26 -3.87 113.62 96.09 1o5p n SER 14 Ca -0.35 0.99 -0.47 0.00 -1.33 0.00 0.00 58.87 57.70 1o5p n SER 14 Cb 0.91 -2.75 -0.08 0.00 -0.75 0.00 0.00 64.21 61.54 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 -1.58 1.83 0.00 -3.46 5.75 -1.26 -1.97 116.55 115.86 1o5p n ASP 15 Ca 0.00 0.23 0.00 0.00 -0.01 0.00 0.00 54.79 55.01 1o5p n ASP 15 Cb 0.16 -1.25 0.00 0.00 -1.03 0.00 0.00 41.12 38.99 1o5p n ASP 15 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1o5p n GLY 16 N 6.49 1.49 1.48 6.12 0.00 -1.26 -5.06 105.19 114.46 1o5p n GLY 16 Ca 0.45 0.00 -0.09 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 -0.80 0.00 -4.55 2.61 5.66 -0.83 -4.96 114.28 111.40 1o5p n THR 17 Ca 0.00 -0.79 -0.21 0.00 -3.05 0.00 0.00 64.05 59.99 1o5p n THR 17 Cb 0.00 -0.56 -0.15 0.00 -1.55 0.00 0.00 70.33 68.07 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 0.99 0.20 1.08 1.01 -1.26 -2.01 120.40 119.69 1o5p s VAL 18 Ca 0.18 -0.52 0.10 0.00 0.00 0.00 0.00 61.98 61.74 1o5p s VAL 18 Cb -0.01 -0.84 -0.04 0.00 0.00 0.00 0.00 36.38 35.49 1o5p s VAL 18 CO 0.11 0.28 -0.13 0.68 0.00 0.00 0.00 175.10 176.05 1o5p s VAL 19 N -0.18 2.98 -0.38 2.92 -7.23 0.16 -4.75 120.40 113.92 1o5p s VAL 19 Ca 0.03 -1.84 -0.11 0.00 -1.81 0.00 0.00 61.98 58.25 1o5p s VAL 19 Cb -0.06 -2.49 0.04 0.00 0.56 0.00 0.00 36.38 34.43 1o5p s VAL 19 CO -0.00 -0.17 0.22 -0.75 -0.31 0.00 0.00 175.10 174.09 1o5p s LYS 20 N -2.95 2.78 -0.21 4.82 2.20 0.18 -0.97 119.74 125.58 1o5p s LYS 20 Ca 0.25 -1.16 -0.06 0.00 -0.36 0.00 0.00 55.97 54.64 1o5p s LYS 20 Cb -0.08 -3.74 -0.03 0.00 -1.51 0.00 0.00 37.83 32.47 1o5p s LYS 20 CO 0.15 -0.75 0.04 0.54 -0.36 0.00 0.00 175.35 174.96 1o5p s VAL 21 N 1.53 4.26 0.37 4.02 0.11 -0.86 -1.40 120.40 128.42 1o5p s VAL 21 Ca 0.02 -0.20 0.08 0.00 -2.93 0.00 0.00 61.98 58.95 1o5p s VAL 21 Cb -0.20 -2.95 -0.07 0.00 -1.53 0.00 0.00 36.38 31.64 1o5p s VAL 21 CO 0.06 0.40 -0.02 0.00 -3.33 0.00 0.00 175.10 172.21 1o5p s ALA 22 N 1.08 3.11 0.00 1.54 0.00 0.36 -2.28 121.76 125.57 1o5p s ALA 22 Ca 0.03 -2.14 0.03 0.00 0.00 0.00 0.00 51.96 49.88 1o5p s ALA 22 Cb -0.14 -0.06 -0.01 0.00 0.00 0.00 0.00 23.12 22.91 1o5p s ALA 22 CO 0.02 -0.00 -0.09 0.20 0.00 0.00 0.00 175.76 175.89 1o5p s GLY 23 N -3.68 0.44 -0.13 0.00 0.00 0.33 -0.64 107.32 103.64 1o5p s GLY 23 Ca 0.34 -0.44 -0.05 0.00 0.00 0.00 0.00 44.72 44.57 1o5p s GLY 23 CO 0.18 -0.40 0.28 0.00 0.00 0.00 0.00 173.10 173.16 1o5p s ALA 24 N -0.40 -0.63 0.00 3.20 0.00 -0.27 0.10 121.76 123.76 1o5p s ALA 24 Ca 0.01 1.03 0.00 0.00 0.00 0.00 0.00 51.96 53.00 1o5p s ALA 24 Cb -0.04 -0.93 0.00 0.00 0.00 0.00 0.00 23.12 22.14 1o5p s ALA 24 CO -0.00 -0.51 0.00 0.41 0.00 0.00 0.00 175.76 175.66 1o5p n GLY 25 N 5.00 0.98 3.95 0.00 0.00 -0.94 0.61 105.19 114.80 1o5p n GLY 25 Ca -0.12 -0.50 -0.27 0.00 0.00 0.00 0.00 46.02 45.13 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 2.83 -0.88 0.99 1.43 -0.74 -1.39 118.68 120.93 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 -2.38 -0.21 0.00 0.03 0.00 0.00 46.19 43.63 1o5p s LEU 26 CO 0.00 -2.14 2.50 0.00 0.23 0.00 0.00 176.35 176.93 1o5p n GLN 27 N -3.22 0.26 -1.17 1.70 3.00 -1.26 -4.11 117.38 112.58 1o5p n GLN 27 Ca 0.13 -0.08 -0.19 0.00 -0.01 0.00 0.00 57.00 56.85 1o5p n GLN 27 Cb 0.60 -1.98 -0.09 0.00 0.00 0.00 0.00 30.24 28.77 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 11.23 0.39 0.00 -1.58 0.00 -1.23 -1.34 120.51 127.98 1o5p n ALA 28 Ca 0.59 -2.05 0.00 0.00 0.00 0.00 0.00 53.44 51.98 1o5p n ALA 28 Cb 0.19 -2.81 0.00 0.00 0.00 0.00 0.00 19.45 16.84 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 5.41 0.54 3.00 0.00 0.00 0.92 -4.82 105.19 110.24 1o5p n GLY 29 Ca 0.34 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.24 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 -0.70 -0.52 0.01 2.61 -1.32 -0.45 -4.89 115.64 110.39 1o5p s THR 30 Ca 0.00 0.09 -0.39 0.00 -1.21 0.00 0.00 61.69 60.17 1o5p s THR 30 Cb 0.00 -0.65 -0.19 0.00 -1.51 0.00 0.00 72.50 70.15 1o5p s THR 30 CO 0.00 -0.02 1.18 0.00 -2.21 0.00 0.00 174.62 173.57 1o5p n ALA 31 N 5.36 -2.70 -2.40 11.08 0.00 -1.26 -2.72 120.51 127.87 1o5p n ALA 31 Ca -0.06 0.57 -0.29 0.00 0.00 0.00 0.00 53.44 53.66 1o5p n ALA 31 Cb 0.50 -1.87 -0.13 0.00 0.00 0.00 0.00 19.45 17.95 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 0.30 2.26 0.33 0.00 2.02 0.19 -4.59 117.35 117.86 1o5p s TYR 32 Ca 0.89 -0.38 0.06 0.00 -0.37 0.00 0.00 57.07 57.28 1o5p s TYR 32 Cb -1.18 -1.23 -0.01 0.00 -0.40 0.00 0.00 41.96 39.14 1o5p s TYR 32 CO 0.55 0.32 0.46 0.34 -1.57 0.00 0.00 175.55 175.65 1o5p s ASP 33 N -2.02 6.00 -0.16 2.29 2.15 0.85 -1.47 116.67 124.30 1o5p s ASP 33 Ca 0.13 -0.17 -0.05 0.00 0.43 0.00 0.00 52.55 52.90 1o5p s ASP 33 Cb -0.10 -1.28 0.08 0.00 -0.30 0.00 0.00 42.92 41.31 1o5p s ASP 33 CO 0.06 -0.40 0.29 0.54 -0.17 0.00 0.00 175.17 175.49 1o5p s VAL 34 N -2.16 -0.46 0.11 1.11 0.11 -0.70 -0.95 120.40 117.46 1o5p s VAL 34 Ca 0.44 0.20 -0.20 0.00 -2.93 0.00 0.00 61.98 59.48 1o5p s VAL 34 Cb -0.09 -0.53 0.07 0.00 -1.53 0.00 0.00 36.38 34.30 1o5p s VAL 34 CO 0.31 0.06 0.96 0.61 -3.33 0.00 0.00 175.10 173.71 1o5p n GLY 35 N 5.36 0.57 3.44 6.54 0.00 -0.91 -0.83 105.19 119.37 1o5p n GLY 35 Ca -0.06 -1.09 -0.43 0.00 0.00 0.00 0.00 46.02 44.43 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 3.00 0.06 1.61 -2.07 -1.26 -2.60 119.66 116.36 1o5p s GLN 36 Ca 0.22 -1.06 0.05 0.00 -1.82 0.00 0.00 55.36 52.75 1o5p s GLN 36 Cb -0.02 -4.03 -0.03 0.00 -1.09 0.00 0.00 33.01 27.85 1o5p s GLN 36 CO 0.03 -0.87 -0.14 0.00 -1.32 0.00 0.00 175.29 172.99 1o5p s ALA 38 N -1.10 1.68 -0.35 0.00 0.00 -0.77 -1.63 121.76 119.60 1o5p s ALA 38 Ca -0.00 -0.86 -0.17 0.00 0.00 0.00 0.00 51.96 50.93 1o5p s ALA 38 Cb -0.09 -0.44 -0.01 0.00 0.00 0.00 0.00 23.12 22.58 1o5p s ALA 38 CO 0.02 0.40 0.45 -1.58 0.00 0.00 0.00 175.76 175.05 1o5p s TRP 39 N -0.43 3.19 -0.75 0.00 0.51 -1.26 -1.77 118.94 118.43 1o5p s TRP 39 Ca 0.07 0.07 0.16 0.00 -2.12 0.00 0.00 56.10 54.27 1o5p s TRP 39 Cb -0.08 -2.82 0.58 0.00 -0.81 0.00 0.00 33.47 30.33 1o5p s TRP 39 CO -0.00 -0.51 1.49 1.33 -0.51 0.00 0.00 176.95 178.75 1o5p n VAL 40 N 5.35 1.83 -1.40 4.03 0.24 -0.90 -4.77 118.33 122.72 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 -0.36 0.00 -0.53 0.00 0.00 54.79 54.11 1o5p n ASP 41 Cb 0.80 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 41.25 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 -2.43 3.45 0.00 -3.53 2.01 -1.26 -2.86 115.64 111.01 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 -4.13 0.00 0.00 0.01 0.00 0.00 72.50 68.38 1o5p s THR 42 CO 0.00 -1.08 0.00 0.61 -0.69 0.00 0.00 174.62 173.46 1o5p n GLY 43 N 5.99 0.67 3.12 4.40 0.00 -1.26 -5.04 105.19 113.08 1o5p n GLY 43 Ca 0.24 -0.74 -0.34 0.00 0.00 0.00 0.00 46.02 45.18 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 2.80 -0.34 1.61 1.01 -1.14 -4.98 120.40 117.37 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 -2.74 0.08 0.00 0.00 0.00 0.00 36.38 33.72 1o5p s VAL 44 CO 0.00 -0.28 0.06 -0.22 0.00 0.00 0.00 175.10 174.66 1o5p s LEU 45 N 1.15 4.45 -0.43 3.92 2.96 -1.26 -2.12 118.68 127.35 1o5p s LEU 45 Ca -0.01 -1.72 -0.17 0.00 -0.22 0.00 0.00 54.13 52.01 1o5p s LEU 45 Cb -0.20 -1.71 0.03 0.00 0.50 0.00 0.00 46.19 44.81 1o5p s LEU 45 CO -0.03 -0.36 0.41 0.00 -1.32 0.00 0.00 176.35 175.05 1o5p s ALA 46 N 1.12 3.45 0.37 5.97 0.00 -0.73 -3.49 121.76 128.44 1o5p s ALA 46 Ca 0.02 -1.63 0.08 0.00 0.00 0.00 0.00 51.96 50.43 1o5p s ALA 46 Cb -0.20 -3.03 -0.03 0.00 0.00 0.00 0.00 23.12 19.85 1o5p s ALA 46 CO -0.04 -1.60 0.28 0.00 0.00 0.00 0.00 175.76 174.40 1o5p s ASN 48 N -4.00 3.91 0.00 0.00 2.47 -0.79 -1.11 114.94 115.43 1o5p s ASN 48 Ca 0.43 -0.37 0.00 0.00 0.42 0.00 0.00 52.86 53.33 1o5p s ASN 48 Cb -0.03 -1.60 0.00 0.00 -1.45 0.00 0.00 41.25 38.17 1o5p s ASN 48 CO 0.26 0.13 0.25 -0.81 -3.72 0.00 0.00 177.10 173.21 1o5p n PRO 49 N 3.74 0.50 0.00 0.43 -0.05 -1.26 -3.04 135.00 135.32 1o5p n PRO 49 Ca -0.18 0.00 0.12 0.00 -0.05 0.00 0.00 63.50 63.38 1o5p n PRO 49 Cb 0.52 -1.25 0.17 0.00 -0.05 0.00 0.00 33.50 32.90 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 0.24 3.64 -0.56 0.55 0.00 -1.26 -4.05 120.51 119.07 1o5p n ALA 50 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 53.44 52.97 1o5p n ALA 50 Cb 0.12 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.58 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 -0.97 0.54 -4.54 0.00 8.00 -1.17 -3.25 116.55 115.15 1o5p n ASP 51 Ca 0.08 -1.10 -0.13 0.00 0.71 0.00 0.00 54.79 54.35 1o5p n ASP 51 Cb 0.36 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.36 1o5p n ASP 51 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1o5p n PHE 52 N -0.05 0.90 -3.59 1.24 3.01 -1.25 -3.87 117.46 113.86 1o5p n PHE 52 Ca 0.00 -0.10 -0.02 0.00 1.01 0.00 0.00 57.45 58.34 1o5p n PHE 52 Cb 0.20 -2.43 -0.00 0.00 -0.01 0.00 0.00 39.48 37.24 1o5p n PHE 52 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1o5p n SER 53 N 18.30 1.26 0.00 4.37 7.64 -0.01 -4.93 113.62 140.25 1o5p n SER 53 Ca 0.41 -1.18 0.00 0.00 1.01 0.00 0.00 58.87 59.12 1o5p n SER 53 Cb 0.45 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.65 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 -1.89 0.00 -3.88 6.43 2.88 -1.26 -1.73 113.62 114.17 1o5p n SER 54 Ca -0.00 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.45 1o5p n SER 54 Cb 0.06 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.44 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 -0.47 0.15 0.03 2.46 0.11 -0.54 -4.93 120.40 117.21 1o5p s VAL 55 Ca 0.00 -1.19 -0.06 0.00 -2.93 0.00 0.00 61.98 57.79 1o5p s VAL 55 Cb 0.00 -1.26 -0.05 0.00 -1.53 0.00 0.00 36.38 33.54 1o5p s VAL 55 CO 0.00 -0.66 0.29 -0.89 -3.33 0.00 0.00 175.10 170.51 1o5p s THR 56 N -3.57 5.27 -0.36 5.04 2.01 -1.26 0.53 115.64 123.31 1o5p s THR 56 Ca 0.03 0.15 -0.28 0.00 0.31 0.00 0.00 61.69 61.90 1o5p s THR 56 Cb 0.04 -3.58 -0.02 0.00 0.01 0.00 0.00 72.50 68.95 1o5p s THR 56 CO -0.09 0.32 1.81 0.00 -0.69 0.00 0.00 174.62 175.96 1o5p s ALA 57 N -1.35 2.79 0.00 7.40 0.00 -1.10 -4.68 121.76 124.82 1o5p s ALA 57 Ca 0.30 0.18 0.00 0.00 0.00 0.00 0.00 51.96 52.44 1o5p s ALA 57 Cb -0.13 -4.04 0.00 0.00 0.00 0.00 0.00 23.12 18.95 1o5p s ALA 57 CO 0.18 -2.76 0.00 -3.47 0.00 0.00 0.00 175.76 169.70 1o5p n ASP 58 N 10.57 0.00 -0.13 0.00 2.03 -1.26 0.31 116.55 128.07 1o5p n ASP 58 Ca 0.23 0.00 -0.05 0.00 0.52 0.00 0.00 54.79 55.49 1o5p n ASP 58 Cb 0.47 0.00 0.01 0.00 -0.72 0.00 0.00 41.12 40.89 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 0.13 0.00 -1.67 0.00 -1.93 -3.10 119.26 110.69 1o5p h ALA 59 Ca 0.00 0.15 -0.29 0.00 0.00 0.00 0.00 54.91 54.77 1o5p h ALA 59 Cb 0.00 0.47 -0.05 0.00 0.00 0.00 0.00 17.79 18.21 1o5p h ALA 59 CO 0.00 -0.54 -2.11 -1.71 0.00 0.00 0.00 179.25 174.89 1o5p n ASN 60 N -5.38 1.58 0.00 0.00 4.05 -1.26 -4.56 115.26 109.69 1o5p n ASN 60 Ca 0.03 -0.04 0.00 0.00 0.45 0.00 0.00 54.58 55.02 1o5p n ASN 60 Cb 0.29 0.46 0.00 0.00 1.23 0.00 0.00 39.78 41.76 1o5p n ASN 60 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1o5p n GLY 61 N 2.21 0.74 3.65 8.20 0.00 -1.18 -1.79 105.19 117.03 1o5p n GLY 61 Ca -0.29 -0.72 -0.35 0.00 0.00 0.00 0.00 46.02 44.66 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 -1.22 5.66 -0.20 1.61 0.01 -1.26 -2.22 113.70 116.09 1o5p s SER 62 Ca 0.00 0.11 -0.03 0.00 1.31 0.00 0.00 55.95 57.34 1o5p s SER 62 Cb 0.00 -1.95 0.06 0.00 0.21 0.00 0.00 66.02 64.34 1o5p s SER 62 CO 0.00 0.19 0.05 0.00 0.41 0.00 0.00 173.24 173.90 1o5p s ALA 63 N 0.25 0.92 -0.25 1.44 0.00 0.11 -4.65 121.76 119.59 1o5p s ALA 63 Ca 0.04 -0.72 -0.01 0.00 0.00 0.00 0.00 51.96 51.27 1o5p s ALA 63 Cb -0.12 -1.20 0.03 0.00 0.00 0.00 0.00 23.12 21.83 1o5p s ALA 63 CO 0.00 -1.23 -0.07 -1.12 0.00 0.00 0.00 175.76 173.34 1o5p s SER 64 N 1.90 4.27 -0.04 0.00 0.01 -1.26 0.12 113.70 118.70 1o5p s SER 64 Ca 0.01 -0.86 -0.09 0.00 1.31 0.00 0.00 55.95 56.32 1o5p s SER 64 Cb -0.17 -1.66 0.01 0.00 0.21 0.00 0.00 66.02 64.42 1o5p s SER 64 CO -0.11 -0.12 0.20 0.28 0.41 0.00 0.00 173.24 173.90 1o5p s THR 65 N 1.32 0.04 -0.09 1.44 -1.32 -0.97 -5.00 115.64 111.06 1o5p s THR 65 Ca 0.00 -0.31 -0.08 0.00 -1.21 0.00 0.00 61.69 60.10 1o5p s THR 65 Cb -0.17 -0.40 -0.04 0.00 -1.51 0.00 0.00 72.50 70.39 1o5p s THR 65 CO -0.05 -0.17 0.19 -0.94 -2.21 0.00 0.00 174.62 171.44 1o5p s SER 66 N -0.61 6.45 0.18 8.08 1.04 -1.26 -2.04 113.70 125.54 1o5p s SER 66 Ca -0.07 0.53 0.01 0.00 0.48 0.00 0.00 55.95 56.90 1o5p s SER 66 Cb -0.04 -2.09 -0.05 0.00 0.10 0.00 0.00 66.02 63.94 1o5p s SER 66 CO 0.01 0.38 0.02 -0.76 0.98 0.00 0.00 173.24 173.87 1o5p s LEU 67 N -1.16 1.99 -0.23 2.42 1.02 -0.14 -4.94 118.68 117.64 1o5p s LEU 67 Ca 0.18 -1.21 -0.08 0.00 0.02 0.00 0.00 54.13 53.04 1o5p s LEU 67 Cb -0.13 0.00 -0.04 0.00 0.02 0.00 0.00 46.19 46.05 1o5p s LEU 67 CO 0.07 -0.61 0.09 0.42 0.02 0.00 0.00 176.35 176.33 1o5p s THR 68 N -3.72 4.62 0.01 5.49 -4.23 -1.20 0.40 115.64 117.01 1o5p s THR 68 Ca 0.26 -0.07 0.02 0.00 -1.18 0.00 0.00 61.69 60.72 1o5p s THR 68 Cb 0.06 -3.14 -0.01 0.00 1.34 0.00 0.00 72.50 70.75 1o5p s THR 68 CO 0.05 0.36 -0.06 0.68 -0.54 0.00 0.00 174.62 175.11 1o5p s VAL 69 N 1.26 0.45 0.00 2.29 -7.23 -0.85 -4.31 120.40 112.01 1o5p s VAL 69 Ca 0.05 -0.52 0.00 0.00 -1.81 0.00 0.00 61.98 59.70 1o5p s VAL 69 Cb -0.14 -0.43 0.00 0.00 0.56 0.00 0.00 36.38 36.36 1o5p s VAL 69 CO 0.04 -0.06 0.00 -2.11 -0.31 0.00 0.00 175.10 172.66 1o5p n ARG 70 N 2.44 0.00 0.00 4.82 1.85 -1.26 -4.20 116.66 120.31 1o5p n ARG 70 Ca -0.16 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.69 1o5p n ARG 70 Cb 0.57 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.98 1o5p n ARG 70 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 1o5p n ARG 71 N 0.00 0.00 -2.35 2.89 1.74 -1.26 -4.68 116.66 113.00 1o5p n ARG 71 Ca 0.00 0.09 -0.41 0.00 -0.77 0.00 0.00 57.85 56.76 1o5p n ARG 71 Cb 0.00 -0.87 -0.04 0.00 -1.02 0.00 0.00 32.46 30.54 1o5p n ARG 71 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1o5p s SER 72 N -1.71 7.10 -0.27 0.55 1.04 -1.26 0.39 113.70 119.53 1o5p s SER 72 Ca 0.00 2.39 -0.22 0.00 0.48 0.00 0.00 55.95 58.60 1o5p s SER 72 Cb 0.00 -2.63 0.08 0.00 0.10 0.00 0.00 66.02 63.57 1o5p s SER 72 CO 0.00 -0.29 0.72 0.72 0.98 0.00 0.00 173.24 175.37 1o5p s PHE 73 N -0.99 -0.88 -0.25 5.02 -0.71 -0.73 -4.86 117.98 114.59 1o5p s PHE 73 Ca 0.47 1.97 -0.29 0.00 -1.04 0.00 0.00 56.93 58.04 1o5p s PHE 73 Cb -0.34 0.40 -0.13 0.00 -1.21 0.00 0.00 43.02 41.74 1o5p s PHE 73 CO 0.44 -0.43 0.95 0.39 -1.34 0.00 0.00 175.22 175.23 1o5p n GLU 74 N 3.26 0.00 -1.13 1.99 -0.58 -1.26 -1.35 120.64 121.57 1o5p n GLU 74 Ca -0.16 0.00 -0.20 0.00 -0.42 0.00 0.00 57.16 56.37 1o5p n GLU 74 Cb 0.56 -0.96 -0.01 0.00 -0.57 0.00 0.00 31.44 30.46 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 2.19 4.15 3.22 0.62 0.00 -0.22 -3.00 105.19 112.14 1o5p n GLY 75 Ca 0.18 -1.41 -0.59 0.00 0.00 0.00 0.00 46.02 44.20 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 0.66 1.24 -3.07 1.61 3.01 -0.27 -2.10 117.46 118.54 1o5p n PHE 76 Ca 0.38 0.82 -0.40 0.00 1.01 0.00 0.00 57.45 59.26 1o5p n PHE 76 Cb 0.58 -2.18 -0.05 0.00 -0.01 0.00 0.00 39.48 37.83 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 5.08 4.26 -0.28 4.37 2.96 -0.76 -1.84 118.68 132.46 1o5p s LEU 77 Ca 1.11 1.07 -0.02 0.00 -0.22 0.00 0.00 54.13 56.07 1o5p s LEU 77 Cb -1.43 -3.02 -0.03 0.00 0.50 0.00 0.00 46.19 42.21 1o5p s LEU 77 CO 0.67 -0.17 1.38 0.33 -1.32 0.00 0.00 176.35 177.23 1o5p n PHE 78 N 4.23 0.42 -1.96 5.38 7.35 -1.23 -2.88 117.46 128.77 1o5p n PHE 78 Ca -0.01 -0.92 0.00 0.00 -0.76 0.00 0.00 57.45 55.76 1o5p n PHE 78 Cb 0.51 -0.94 0.00 0.00 0.35 0.00 0.00 39.48 39.39 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 4.32 0.00 0.00 -2.13 2.03 -1.26 -4.98 116.55 114.53 1o5p n ASP 79 Ca 0.16 -0.97 0.00 0.00 0.52 0.00 0.00 54.79 54.50 1o5p n ASP 79 Cb 0.08 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.48 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 2.83 3.90 0.27 0.00 -1.14 -4.99 105.19 106.06 1o5p n GLY 80 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.06 5.03 -0.17 2.61 -4.23 -1.26 -4.96 115.64 111.60 1o5p s THR 81 Ca 0.00 0.09 -0.08 0.00 -1.18 0.00 0.00 61.69 60.52 1o5p s THR 81 Cb 0.00 -3.71 -0.04 0.00 1.34 0.00 0.00 72.50 70.09 1o5p s THR 81 CO 0.00 -0.25 0.11 0.00 -0.54 0.00 0.00 174.62 173.93 1o5p s ARG 82 N -3.37 3.93 0.32 3.99 1.70 -1.26 -1.82 118.95 122.43 1o5p s ARG 82 Ca 0.44 -0.24 0.24 0.00 -0.47 0.00 0.00 55.73 55.70 1o5p s ARG 82 Cb -0.11 -3.29 0.54 0.00 -0.57 0.00 0.00 34.95 31.52 1o5p s ARG 82 CO 0.28 0.41 1.66 2.35 -1.08 0.00 0.00 175.30 178.92 1o5p h TRP 83 N 6.27 0.00 0.00 5.89 7.01 -1.75 -3.46 115.95 129.91 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 1.17 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 28.23 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 1.21 1.51 3.59 2.65 0.00 -1.26 -4.89 105.19 108.00 1o5p n GLY 84 Ca 0.05 -2.13 -0.42 0.00 0.00 0.00 0.00 46.02 43.51 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 -1.65 3.13 -0.58 2.61 -4.23 -1.26 -1.06 115.64 112.61 1o5p s THR 85 Ca 0.00 0.13 -0.28 0.00 -1.18 0.00 0.00 61.69 60.36 1o5p s THR 85 Cb 0.00 -3.20 0.03 0.00 1.34 0.00 0.00 72.50 70.67 1o5p s THR 85 CO 0.00 -0.14 1.26 -0.69 -0.54 0.00 0.00 174.62 174.51 1o5p s VAL 86 N 8.62 3.94 -0.29 2.29 1.01 -0.46 -4.71 120.40 130.81 1o5p s VAL 86 Ca 0.94 0.82 -0.29 0.00 0.00 0.00 0.00 61.98 63.46 1o5p s VAL 86 Cb -0.27 -4.66 -0.02 0.00 0.00 0.00 0.00 36.38 31.43 1o5p s VAL 86 CO 0.33 -1.32 1.77 -1.81 0.00 0.00 0.00 175.10 174.07 1o5p s ASP 87 N 3.37 6.00 0.00 3.32 1.11 -1.26 -1.77 116.67 127.44 1o5p s ASP 87 Ca 0.45 1.43 0.06 0.00 0.18 0.00 0.00 52.55 54.67 1o5p s ASP 87 Cb -0.08 -2.53 0.30 0.00 1.07 0.00 0.00 42.92 41.68 1o5p s ASP 87 CO 0.25 -1.60 1.02 0.00 1.18 0.00 0.00 175.17 176.02 1o5p n THR 89 N -1.27 0.00 -0.04 0.00 -2.24 -1.26 -4.03 114.28 105.44 1o5p n THR 89 Ca 0.03 -0.11 -0.08 0.00 -2.27 0.00 0.00 64.05 61.61 1o5p n THR 89 Cb 0.05 -0.05 -0.03 0.00 -2.10 0.00 0.00 70.33 68.20 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 -0.46 0.44 -3.63 4.28 -2.24 -0.13 -5.07 114.28 107.48 1o5p n THR 90 Ca 0.21 -0.12 -0.22 0.00 -2.27 0.00 0.00 64.05 61.66 1o5p n THR 90 Cb 0.22 -1.53 0.02 0.00 -2.10 0.00 0.00 70.33 66.93 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 -3.30 0.85 -2.93 6.98 0.00 -1.20 -5.10 120.51 115.82 1o5p n ALA 91 Ca -0.16 -1.94 -0.39 0.00 0.00 0.00 0.00 53.44 50.96 1o5p n ALA 91 Cb 0.62 0.73 -0.12 0.00 0.00 0.00 0.00 19.45 20.68 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 -2.68 3.23 -0.25 0.00 0.00 -1.26 -4.71 121.76 116.09 1o5p s ALA 92 Ca 0.35 -1.44 -0.14 0.00 0.00 0.00 0.00 51.96 50.73 1o5p s ALA 92 Cb -0.03 -2.36 -0.04 0.00 0.00 0.00 0.00 23.12 20.69 1o5p s ALA 92 CO 0.22 -0.97 0.30 0.00 0.00 0.00 0.00 175.76 175.32 1o5p s GLN 94 N 1.65 3.25 -0.40 0.00 -0.21 -0.64 -2.52 119.66 120.78 1o5p s GLN 94 Ca 0.13 -0.37 -0.14 0.00 0.02 0.00 0.00 55.36 54.99 1o5p s GLN 94 Cb -0.15 -2.99 0.02 0.00 1.00 0.00 0.00 33.01 30.89 1o5p s GLN 94 CO 0.09 0.68 0.28 0.08 -2.12 0.00 0.00 175.29 174.30 1o5p s VAL 95 N -1.21 5.12 0.10 1.09 1.01 0.11 -2.26 120.40 124.36 1o5p s VAL 95 Ca 0.23 -0.70 -0.01 0.00 0.00 0.00 0.00 61.98 61.50 1o5p s VAL 95 Cb -0.12 -3.85 0.00 0.00 0.00 0.00 0.00 36.38 32.41 1o5p s VAL 95 CO 0.14 -0.30 0.14 0.61 0.00 0.00 0.00 175.10 175.69 1o5p n GLY 96 N 5.13 2.79 2.92 4.51 0.00 -1.07 0.22 105.19 119.68 1o5p n GLY 96 Ca -0.11 -1.42 -0.21 0.00 0.00 0.00 0.00 46.02 44.28 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 -3.79 0.99 4.32 -1.25 -2.13 117.00 115.14 1o5p n LEU 97 Ca 0.00 -2.26 0.03 0.00 -0.02 0.00 0.00 56.01 53.76 1o5p n LEU 97 Cb 0.16 0.02 0.00 0.00 -1.62 0.00 0.00 43.42 41.99 1o5p n LEU 97 CO 0.08 -0.48 1.15 -0.94 -1.22 0.00 0.00 177.39 175.98 1o5p s SER 98 N -3.44 -0.01 -0.14 -1.43 1.04 -0.13 -4.36 113.70 105.23 1o5p s SER 98 Ca 0.20 -0.09 0.08 0.00 0.48 0.00 0.00 55.95 56.62 1o5p s SER 98 Cb -0.02 0.08 -0.14 0.00 0.10 0.00 0.00 66.02 66.04 1o5p s SER 98 CO 0.13 -0.15 -0.01 -0.90 0.98 0.00 0.00 173.24 173.28 1o5p n ASP 99 N -0.75 2.13 0.00 7.02 5.75 -1.24 0.29 116.55 129.75 1o5p n ASP 99 Ca -0.03 -0.03 0.00 0.00 -0.01 0.00 0.00 54.79 54.73 1o5p n ASP 99 Cb 0.61 0.48 0.00 0.00 -1.03 0.00 0.00 41.12 41.18 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 -2.63 0.00 -0.01 2.12 0.00 -1.26 -4.67 120.51 114.05 1o5p n ALA 100 Ca -0.23 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.26 1o5p n ALA 100 Cb 0.88 -0.10 -0.11 0.00 0.00 0.00 0.00 19.45 20.13 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 -0.04 2.40 0.00 0.00 0.00 -1.26 -4.95 120.51 116.66 1o5p n ALA 101 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.04 1o5p n ALA 101 Cb 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 19.45 19.04 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 1.78 -0.01 3.59 0.00 0.00 -1.26 -5.15 105.19 104.15 1o5p n GLY 102 Ca -0.05 -0.01 -0.01 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.12 -1.44 -0.54 1.61 5.03 -1.26 -5.06 115.26 112.47 1o5p n ASN 103 Ca 0.00 -1.64 0.00 0.00 0.87 0.00 0.00 54.58 53.81 1o5p n ASN 103 Cb 0.00 2.32 0.00 0.00 -1.02 0.00 0.00 39.78 41.08 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 -0.73 1.37 2.43 7.41 0.00 -1.26 -3.72 105.19 110.68 1o5p n GLY 104 Ca -0.00 -0.79 -0.12 0.00 0.00 0.00 0.00 46.02 45.12 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 -1.00 -2.80 1.61 -0.02 -1.26 -4.94 135.00 126.59 1o5p n PRO 105 Ca 0.00 -0.56 -0.21 0.00 -2.02 0.00 0.00 63.50 60.71 1o5p n PRO 105 Cb 0.00 -1.17 0.09 0.00 -0.02 0.00 0.00 33.50 32.40 1o5p n PRO 105 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1o5p n GLU 106 N -1.10 0.31 -4.43 -0.52 1.02 -1.26 -4.70 120.64 109.96 1o5p n GLU 106 Ca 0.05 -2.95 -0.25 0.00 -0.02 0.00 0.00 57.16 53.99 1o5p n GLU 106 Cb 0.23 -0.42 -0.09 0.00 -0.02 0.00 0.00 31.44 31.14 1o5p n GLU 106 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1o5p s GLY 107 N -4.82 2.06 -0.21 0.62 0.00 -1.26 -3.79 107.32 99.91 1o5p s GLY 107 Ca 0.63 -1.97 -0.11 0.00 0.00 0.00 0.00 44.72 43.26 1o5p s GLY 107 CO 0.41 -1.95 0.19 0.14 0.00 0.00 0.00 173.10 171.89 1o5p s VAL 108 N -2.54 5.35 -0.10 1.40 1.01 0.13 -4.70 120.40 120.96 1o5p s VAL 108 Ca 0.33 0.29 -0.30 0.00 0.00 0.00 0.00 61.98 62.31 1o5p s VAL 108 Cb -0.00 -3.53 -0.03 0.00 0.00 0.00 0.00 36.38 32.81 1o5p s VAL 108 CO 0.18 0.38 1.40 0.00 0.00 0.00 0.00 175.10 177.05 1o5p s ALA 109 N 0.75 3.63 0.44 5.51 0.00 -1.26 0.09 121.76 130.91 1o5p s ALA 109 Ca 0.10 0.68 0.06 0.00 0.00 0.00 0.00 51.96 52.80 1o5p s ALA 109 Cb -0.13 -3.65 0.01 0.00 0.00 0.00 0.00 23.12 19.36 1o5p s ALA 109 CO 0.02 -1.18 0.61 0.96 0.00 0.00 0.00 175.76 176.17 1o5p s ILE 110 N 3.42 3.18 0.06 0.00 -4.36 -1.05 -4.83 121.20 117.63 1o5p s ILE 110 Ca 0.62 -0.89 0.00 0.00 -0.26 0.00 0.00 60.65 60.12 1o5p s ILE 110 Cb -0.27 -3.11 -0.04 0.00 1.25 0.00 0.00 42.46 40.30 1o5p s ILE 110 CO 0.21 -0.05 -0.05 -0.55 0.24 0.00 0.00 174.94 174.75 1o5p s SER 111 N -4.33 0.69 -0.53 4.36 0.15 0.19 -4.72 113.70 109.51 1o5p s SER 111 Ca 0.53 -0.89 0.06 0.00 0.70 0.00 0.00 55.95 56.36 1o5p s SER 111 Cb -0.10 0.14 0.23 0.00 -1.71 0.00 0.00 66.02 64.58 1o5p s SER 111 CO 0.34 -0.48 0.59 0.49 1.20 0.00 0.00 173.24 175.38 1o5p n PHE 112 N 0.40 1.56 0.83 3.44 3.01 -1.26 -2.91 117.46 122.53 1o5p n PHE 112 Ca -0.16 -3.85 0.07 0.00 1.01 0.00 0.00 57.45 54.52 1o5p n PHE 112 Cb 0.59 -0.39 0.40 0.00 -0.01 0.00 0.00 39.48 40.07 1o5p n PHE 112 CO 0.00 0.00 0.00 0.27 1.01 0.00 0.00 176.76 178.04