#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1o5p s ALA 2 N 0.00 3.80 0.86 0.00 0.00 -1.26 -4.94 121.76 120.22 1o5p s ALA 2 Ca 0.00 -1.71 -0.12 0.00 0.00 0.00 0.00 51.96 50.13 1o5p s ALA 2 Cb 0.00 -0.36 0.11 0.00 0.00 0.00 0.00 23.12 22.87 1o5p s ALA 2 CO 0.00 -0.20 1.15 -2.30 0.00 0.00 0.00 175.76 174.41 1o5p n PRO 3 N -1.33 -0.14 -1.89 0.00 -0.02 -0.46 -4.22 135.00 126.95 1o5p n PRO 3 Ca -0.04 0.04 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1o5p n PRO 3 Cb 0.65 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 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 -3.75 0.00 -3.64 3.45 5.66 0.19 -4.86 114.28 111.32 1o5p n THR 4 Ca 0.13 0.00 -0.06 0.00 -3.05 0.00 0.00 64.05 61.06 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 -2.06 -0.47 1.79 0.00 -1.25 -1.06 121.76 117.71 1o5p s ALA 5 Ca 0.00 2.13 -0.15 0.00 0.00 0.00 0.00 51.96 53.95 1o5p s ALA 5 Cb 0.00 -1.53 0.08 0.00 0.00 0.00 0.00 23.12 21.67 1o5p s ALA 5 CO 0.00 -0.32 0.39 0.95 0.00 0.00 0.00 175.76 176.78 1o5p s THR 6 N 0.97 5.09 -0.16 0.00 -4.23 0.17 -4.77 115.64 112.72 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 -4.08 0.01 0.00 1.34 0.00 0.00 72.50 69.73 1o5p s THR 6 CO -0.12 -0.60 -0.20 -0.69 -0.54 0.00 0.00 174.62 172.47 1o5p s VAL 7 N 1.61 2.16 -0.17 2.29 1.01 -1.24 0.13 120.40 126.18 1o5p s VAL 7 Ca 0.04 -0.93 -0.30 0.00 0.00 0.00 0.00 61.98 60.79 1o5p s VAL 7 Cb -0.25 -1.89 0.13 0.00 0.00 0.00 0.00 36.38 34.38 1o5p s VAL 7 CO 0.06 0.54 1.02 -0.89 0.00 0.00 0.00 175.10 175.83 1o5p s THR 8 N 1.02 0.00 0.48 3.92 2.01 -0.59 -4.45 115.64 118.03 1o5p s THR 8 Ca -0.02 0.00 -0.20 0.00 0.31 0.00 0.00 61.69 61.78 1o5p s THR 8 Cb -0.14 -1.00 -0.09 0.00 0.01 0.00 0.00 72.50 71.28 1o5p s THR 8 CO -0.06 0.00 1.01 -2.16 -0.69 0.00 0.00 174.62 172.72 1o5p s PRO 9 N -1.11 3.90 0.08 4.92 0.05 -1.26 -0.93 135.00 140.65 1o5p s PRO 9 Ca -0.01 1.25 0.20 0.00 0.05 0.00 0.00 61.00 62.49 1o5p s PRO 9 Cb -0.00 -2.12 -0.13 0.00 0.05 0.00 0.00 34.50 32.30 1o5p s PRO 9 CO 0.01 -0.33 0.80 -1.13 0.05 0.00 0.00 177.00 176.39 1o5p n SER 10 N -1.00 0.65 -4.28 6.66 3.41 -1.26 -4.78 113.62 113.01 1o5p n SER 10 Ca 0.08 0.27 -0.15 0.00 -0.26 0.00 0.00 58.87 58.81 1o5p n SER 10 Cb 0.53 0.65 -0.10 0.00 -0.26 0.00 0.00 64.21 65.03 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 -5.38 1.63 -0.35 4.04 0.01 -1.26 0.50 113.70 112.90 1o5p s SER 11 Ca -0.03 -1.16 -0.02 0.00 1.31 0.00 0.00 55.95 56.05 1o5p s SER 11 Cb 0.10 0.04 0.00 0.00 0.21 0.00 0.00 66.02 66.37 1o5p s SER 11 CO 0.82 -0.49 0.26 0.61 0.41 0.00 0.00 173.24 174.85 1o5p n GLY 12 N -0.32 0.54 0.12 3.44 0.00 -1.17 -4.90 105.19 102.91 1o5p n GLY 12 Ca -0.07 -0.47 -0.22 0.00 0.00 0.00 0.00 46.02 45.26 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 -1.52 2.28 -1.16 0.99 4.77 -1.26 -5.07 117.00 116.03 1o5p n LEU 13 Ca -0.00 0.28 0.00 0.00 -0.03 0.00 0.00 56.01 56.26 1o5p n LEU 13 Cb 0.52 -1.01 0.00 0.00 -2.33 0.00 0.00 43.42 40.60 1o5p n LEU 13 CO 0.15 0.60 -0.35 -0.24 -1.33 0.00 0.00 177.39 176.22 1o5p n SER 14 N -3.94 -6.33 -4.45 -1.43 2.88 -1.26 -3.85 113.62 95.25 1o5p n SER 14 Ca -0.36 1.20 -0.49 0.00 -1.33 0.00 0.00 58.87 57.90 1o5p n SER 14 Cb 0.88 -3.38 -0.07 0.00 -0.75 0.00 0.00 64.21 60.88 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 -1.80 1.98 0.00 -3.46 5.75 -1.26 -2.03 116.55 115.73 1o5p n ASP 15 Ca 0.00 0.31 0.00 0.00 -0.01 0.00 0.00 54.79 55.09 1o5p n ASP 15 Cb 0.22 -1.26 0.00 0.00 -1.03 0.00 0.00 41.12 39.05 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 6.52 1.44 1.91 6.12 0.00 -1.26 -5.06 105.19 114.87 1o5p n GLY 16 Ca 0.43 0.00 -0.11 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 -0.93 0.00 -4.59 2.61 5.66 -0.86 -4.97 114.28 111.21 1o5p n THR 17 Ca 0.00 -1.00 -0.22 0.00 -3.05 0.00 0.00 64.05 59.78 1o5p n THR 17 Cb 0.00 -0.59 -0.15 0.00 -1.55 0.00 0.00 70.33 68.04 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 -0.98 1.03 0.20 1.08 1.01 -1.26 -2.04 120.40 119.45 1o5p s VAL 18 Ca 0.25 -0.54 0.11 0.00 0.00 0.00 0.00 61.98 61.79 1o5p s VAL 18 Cb -0.02 -0.87 -0.04 0.00 0.00 0.00 0.00 36.38 35.44 1o5p s VAL 18 CO 0.16 0.30 -0.20 0.68 0.00 0.00 0.00 175.10 176.04 1o5p s VAL 19 N -0.20 2.59 -0.38 2.92 -7.23 0.13 -4.74 120.40 113.49 1o5p s VAL 19 Ca 0.03 -1.98 -0.10 0.00 -1.81 0.00 0.00 61.98 58.12 1o5p s VAL 19 Cb -0.06 -2.27 0.04 0.00 0.56 0.00 0.00 36.38 34.65 1o5p s VAL 19 CO -0.00 -0.15 0.20 -0.75 -0.31 0.00 0.00 175.10 174.09 1o5p s LYS 20 N -2.82 2.73 -0.22 4.82 2.20 -0.10 -1.20 119.74 125.15 1o5p s LYS 20 Ca 0.23 -1.18 -0.06 0.00 -0.36 0.00 0.00 55.97 54.59 1o5p s LYS 20 Cb -0.08 -3.69 -0.03 0.00 -1.51 0.00 0.00 37.83 32.53 1o5p s LYS 20 CO 0.12 -0.75 0.03 0.54 -0.36 0.00 0.00 175.35 174.93 1o5p s VAL 21 N 1.50 4.19 0.37 4.02 0.11 -0.88 -1.54 120.40 128.16 1o5p s VAL 21 Ca 0.01 -0.23 0.08 0.00 -2.93 0.00 0.00 61.98 58.92 1o5p s VAL 21 Cb -0.20 -2.92 -0.06 0.00 -1.53 0.00 0.00 36.38 31.67 1o5p s VAL 21 CO 0.05 0.40 0.02 0.00 -3.33 0.00 0.00 175.10 172.24 1o5p s ALA 22 N 1.18 3.21 -0.00 1.54 0.00 0.34 -2.28 121.76 125.74 1o5p s ALA 22 Ca 0.04 -2.11 0.03 0.00 0.00 0.00 0.00 51.96 49.91 1o5p s ALA 22 Cb -0.14 -0.16 -0.01 0.00 0.00 0.00 0.00 23.12 22.80 1o5p s ALA 22 CO 0.02 -0.02 -0.08 0.20 0.00 0.00 0.00 175.76 175.88 1o5p s GLY 23 N -3.73 0.42 -0.11 0.00 0.00 0.36 -0.66 107.32 103.60 1o5p s GLY 23 Ca 0.36 -0.39 -0.05 0.00 0.00 0.00 0.00 44.72 44.64 1o5p s GLY 23 CO 0.19 -0.33 0.24 0.00 0.00 0.00 0.00 173.10 173.20 1o5p s ALA 24 N -0.27 -0.51 0.00 3.20 0.00 -0.22 0.18 121.76 124.14 1o5p s ALA 24 Ca 0.02 0.92 0.00 0.00 0.00 0.00 0.00 51.96 52.90 1o5p s ALA 24 Cb -0.04 -0.84 0.00 0.00 0.00 0.00 0.00 23.12 22.25 1o5p s ALA 24 CO -0.00 -0.45 0.00 0.41 0.00 0.00 0.00 175.76 175.72 1o5p n GLY 25 N 4.89 0.95 3.95 0.00 0.00 -0.95 0.55 105.19 114.58 1o5p n GLY 25 Ca -0.14 -0.52 -0.26 0.00 0.00 0.00 0.00 46.02 45.10 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 -0.87 0.99 1.43 -0.77 -1.36 118.68 120.94 1o5p s LEU 26 Ca 0.00 0.12 -0.24 0.00 -1.03 0.00 0.00 54.13 52.97 1o5p s LEU 26 Cb 0.00 -2.45 -0.21 0.00 0.03 0.00 0.00 46.19 43.57 1o5p s LEU 26 CO 0.00 -2.09 2.49 0.00 0.23 0.00 0.00 176.35 176.97 1o5p n GLN 27 N -3.20 0.28 -1.18 1.70 3.00 -1.26 -4.09 117.38 112.64 1o5p n GLN 27 Ca 0.13 -0.09 -0.19 0.00 -0.01 0.00 0.00 57.00 56.84 1o5p n GLN 27 Cb 0.60 -2.04 -0.09 0.00 0.00 0.00 0.00 30.24 28.71 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 11.44 0.38 0.00 -1.58 0.00 -1.22 -1.31 120.51 128.21 1o5p n ALA 28 Ca 0.58 -2.03 0.00 0.00 0.00 0.00 0.00 53.44 51.99 1o5p n ALA 28 Cb 0.21 -2.78 0.00 0.00 0.00 0.00 0.00 19.45 16.88 1o5p n ALA 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1o5p n GLY 29 N 5.42 0.51 3.02 0.00 0.00 0.88 -4.82 105.19 110.19 1o5p n GLY 29 Ca 0.33 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 -0.62 -0.51 -0.05 2.61 -1.32 -0.43 -4.89 115.64 110.43 1o5p s THR 30 Ca 0.00 0.11 -0.39 0.00 -1.21 0.00 0.00 61.69 60.20 1o5p s THR 30 Cb 0.00 -0.63 -0.18 0.00 -1.51 0.00 0.00 72.50 70.18 1o5p s THR 30 CO 0.00 -0.00 1.34 0.00 -2.21 0.00 0.00 174.62 173.75 1o5p n ALA 31 N 5.36 -1.73 -2.43 11.08 0.00 -1.26 -2.72 120.51 128.82 1o5p n ALA 31 Ca -0.06 0.52 -0.29 0.00 0.00 0.00 0.00 53.44 53.61 1o5p n ALA 31 Cb 0.50 -1.98 -0.13 0.00 0.00 0.00 0.00 19.45 17.84 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 1.04 2.41 0.25 0.00 2.02 0.16 -4.42 117.35 118.80 1o5p s TYR 32 Ca 0.91 -0.33 0.04 0.00 -0.37 0.00 0.00 57.07 57.31 1o5p s TYR 32 Cb -1.12 -1.31 -0.03 0.00 -0.40 0.00 0.00 41.96 39.09 1o5p s TYR 32 CO 0.56 0.33 0.38 0.34 -1.57 0.00 0.00 175.55 175.60 1o5p s ASP 33 N -1.98 6.32 -0.05 2.29 -1.08 0.79 -1.59 116.67 121.38 1o5p s ASP 33 Ca 0.15 0.15 -0.02 0.00 -0.52 0.00 0.00 52.55 52.32 1o5p s ASP 33 Cb -0.10 -1.90 0.03 0.00 -1.46 0.00 0.00 42.92 39.49 1o5p s ASP 33 CO 0.07 -0.09 0.07 0.54 0.52 0.00 0.00 175.17 176.28 1o5p s VAL 34 N -2.01 -0.12 0.13 1.11 0.11 -0.70 -0.88 120.40 118.04 1o5p s VAL 34 Ca 0.35 0.40 -0.23 0.00 -2.93 0.00 0.00 61.98 59.57 1o5p s VAL 34 Cb -0.09 -0.17 0.08 0.00 -1.53 0.00 0.00 36.38 34.66 1o5p s VAL 34 CO 0.30 0.16 1.10 0.61 -3.33 0.00 0.00 175.10 173.94 1o5p n GLY 35 N 5.30 0.49 3.43 6.54 0.00 -0.94 -0.90 105.19 119.11 1o5p n GLY 35 Ca -0.03 -1.12 -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 2.94 0.07 1.61 -2.07 -1.26 -2.62 119.66 116.28 1o5p s GLN 36 Ca 0.25 -1.11 0.06 0.00 -1.82 0.00 0.00 55.36 52.73 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 0.04 -0.81 -0.16 0.00 -1.32 0.00 0.00 175.29 173.05 1o5p s ALA 38 N -1.11 1.82 -0.35 0.00 0.00 -0.71 -1.62 121.76 119.79 1o5p s ALA 38 Ca 0.01 -0.92 -0.17 0.00 0.00 0.00 0.00 51.96 50.88 1o5p s ALA 38 Cb -0.09 -0.49 -0.00 0.00 0.00 0.00 0.00 23.12 22.53 1o5p s ALA 38 CO 0.02 0.42 0.45 -1.58 0.00 0.00 0.00 175.76 175.07 1o5p s TRP 39 N -0.41 3.19 -0.91 0.00 0.51 -1.26 -1.66 118.94 118.39 1o5p s TRP 39 Ca 0.06 0.05 0.17 0.00 -2.12 0.00 0.00 56.10 54.25 1o5p s TRP 39 Cb -0.09 -2.82 0.61 0.00 -0.81 0.00 0.00 33.47 30.35 1o5p s TRP 39 CO -0.00 -0.51 1.52 1.33 -0.51 0.00 0.00 176.95 178.78 1o5p n VAL 40 N 5.36 1.77 -1.50 4.03 0.24 -0.90 -4.74 118.33 122.59 1o5p n VAL 40 Ca -0.07 -1.29 0.00 0.00 -2.04 0.00 0.00 64.34 60.95 1o5p n VAL 40 Cb 0.49 0.13 0.00 0.00 -1.47 0.00 0.00 33.84 32.99 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 0.71 0.00 -4.55 -1.34 8.00 -1.26 -4.95 116.55 113.16 1o5p n ASP 41 Ca 0.22 0.00 -0.38 0.00 0.71 0.00 0.00 54.79 55.34 1o5p n ASP 41 Cb 0.81 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 0.42 -0.39 0.00 0.00 177.20 177.23 1o5p s THR 42 N -2.46 3.51 0.00 -3.53 -4.23 -1.26 -2.96 115.64 104.71 1o5p s THR 42 Ca 0.00 0.14 0.00 0.00 -1.18 0.00 0.00 61.69 60.65 1o5p s THR 42 Cb 0.00 -4.32 0.00 0.00 1.34 0.00 0.00 72.50 69.52 1o5p s THR 42 CO 0.00 -1.27 0.00 0.61 -0.54 0.00 0.00 174.62 173.42 1o5p n GLY 43 N 5.80 0.82 3.07 3.99 0.00 -1.26 -5.05 105.19 112.57 1o5p n GLY 43 Ca 0.18 -0.63 -0.32 0.00 0.00 0.00 0.00 46.02 45.24 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 2.40 -0.33 1.61 1.01 -1.16 -5.00 120.40 116.94 1o5p s VAL 44 Ca 0.00 -1.84 0.00 0.00 0.00 0.00 0.00 61.98 60.14 1o5p s VAL 44 Cb 0.00 -2.54 0.08 0.00 0.00 0.00 0.00 36.38 33.92 1o5p s VAL 44 CO 0.00 -0.26 0.05 -0.22 0.00 0.00 0.00 175.10 174.67 1o5p s LEU 45 N 1.07 4.41 -0.42 3.92 2.96 -1.26 -2.11 118.68 127.24 1o5p s LEU 45 Ca -0.01 -1.73 -0.17 0.00 -0.22 0.00 0.00 54.13 52.00 1o5p s LEU 45 Cb -0.20 -1.69 0.02 0.00 0.50 0.00 0.00 46.19 44.82 1o5p s LEU 45 CO -0.05 -0.35 0.41 0.00 -1.32 0.00 0.00 176.35 175.04 1o5p s ALA 46 N 1.10 3.44 0.35 5.97 0.00 -0.66 -3.56 121.76 128.40 1o5p s ALA 46 Ca 0.02 -1.60 0.08 0.00 0.00 0.00 0.00 51.96 50.46 1o5p s ALA 46 Cb -0.20 -3.03 -0.03 0.00 0.00 0.00 0.00 23.12 19.86 1o5p s ALA 46 CO -0.04 -1.58 0.28 0.00 0.00 0.00 0.00 175.76 174.41 1o5p s ASN 48 N -3.99 4.10 0.00 0.00 2.47 -0.83 -1.08 114.94 115.61 1o5p s ASN 48 Ca 0.41 -0.27 0.00 0.00 0.42 0.00 0.00 52.86 53.42 1o5p s ASN 48 Cb -0.05 -1.45 0.00 0.00 -1.45 0.00 0.00 41.25 38.30 1o5p s ASN 48 CO 0.26 0.21 0.46 -0.81 -3.72 0.00 0.00 177.10 173.50 1o5p n PRO 49 N 3.22 0.64 0.00 0.43 -0.04 -1.26 -3.28 135.00 134.70 1o5p n PRO 49 Ca -0.18 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.39 1o5p n PRO 49 Cb 0.53 -1.26 -0.03 0.00 -0.04 0.00 0.00 33.50 32.70 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 4.13 -0.68 0.55 0.00 -1.26 -4.25 120.51 119.39 1o5p n ALA 50 Ca 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 53.44 52.84 1o5p n ALA 50 Cb 0.23 -0.81 0.00 0.00 0.00 0.00 0.00 19.45 18.87 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 -0.84 0.50 -4.56 0.00 9.92 -1.21 -3.30 116.55 117.07 1o5p n ASP 51 Ca 0.07 -1.19 -0.14 0.00 -0.53 0.00 0.00 54.79 53.01 1o5p n ASP 51 Cb 0.39 0.00 -0.11 0.00 -0.64 0.00 0.00 41.12 40.76 1o5p n ASP 51 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 1o5p n PHE 52 N -0.09 0.89 -3.42 1.24 3.01 -1.25 -3.87 117.46 113.97 1o5p n PHE 52 Ca 0.00 -0.15 0.00 0.00 1.01 0.00 0.00 57.45 58.31 1o5p n PHE 52 Cb 0.32 -2.56 0.00 0.00 -0.01 0.00 0.00 39.48 37.22 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 19.63 0.85 0.00 4.37 7.64 -0.08 -4.93 113.62 141.10 1o5p n SER 53 Ca 0.40 -1.00 0.00 0.00 1.01 0.00 0.00 58.87 59.29 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 -2.14 0.00 -3.87 6.43 2.88 -1.26 -1.73 113.62 113.92 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 0.00 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.38 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 -0.46 0.14 0.04 2.46 0.11 -0.62 -4.93 120.40 117.15 1o5p s VAL 55 Ca 0.00 -1.17 -0.05 0.00 -2.93 0.00 0.00 61.98 57.83 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 -0.65 0.28 -0.89 -3.33 0.00 0.00 175.10 170.51 1o5p s THR 56 N -3.60 5.29 -0.36 5.04 2.01 -1.26 0.40 115.64 123.15 1o5p s THR 56 Ca 0.03 0.05 -0.28 0.00 0.31 0.00 0.00 61.69 61.80 1o5p s THR 56 Cb 0.04 -3.59 -0.02 0.00 0.01 0.00 0.00 72.50 68.94 1o5p s THR 56 CO -0.09 0.26 1.79 0.00 -0.69 0.00 0.00 174.62 175.89 1o5p s ALA 57 N -1.41 2.79 0.00 7.40 0.00 -1.10 -4.68 121.76 124.76 1o5p s ALA 57 Ca 0.32 0.15 0.00 0.00 0.00 0.00 0.00 51.96 52.42 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 0.20 -2.77 0.00 -0.40 0.00 0.00 0.00 175.76 172.79 1o5p n ASP 58 N 10.52 0.00 -0.13 0.00 5.75 -1.26 0.30 116.55 131.74 1o5p n ASP 58 Ca 0.22 0.00 -0.05 0.00 -0.01 0.00 0.00 54.79 54.95 1o5p n ASP 58 Cb 0.47 0.00 0.01 0.00 -1.03 0.00 0.00 41.12 40.58 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 0.10 0.00 2.12 0.00 -1.93 -3.11 119.26 114.45 1o5p h ALA 59 Ca 0.00 0.15 -0.28 0.00 0.00 0.00 0.00 54.91 54.78 1o5p h ALA 59 Cb 0.00 0.50 -0.05 0.00 0.00 0.00 0.00 17.79 18.23 1o5p h ALA 59 CO 0.00 -0.56 -2.05 0.09 0.00 0.00 0.00 179.25 176.72 1o5p n ASN 60 N -5.38 1.61 0.00 0.00 3.02 -1.26 -4.57 115.26 108.68 1o5p n ASN 60 Ca 0.03 -0.03 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1o5p n ASN 60 Cb 0.29 0.55 0.00 0.00 -0.61 0.00 0.00 39.78 40.01 1o5p n ASN 60 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1o5p n GLY 61 N 2.21 0.73 3.64 7.41 0.00 -1.18 -1.84 105.19 116.16 1o5p n GLY 61 Ca -0.27 -0.72 -0.34 0.00 0.00 0.00 0.00 46.02 44.68 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 -1.15 5.65 -0.20 1.61 0.01 -1.25 -2.23 113.70 116.13 1o5p s SER 62 Ca 0.00 0.09 -0.03 0.00 1.31 0.00 0.00 55.95 57.32 1o5p s SER 62 Cb 0.00 -1.96 0.07 0.00 0.21 0.00 0.00 66.02 64.33 1o5p s SER 62 CO 0.00 0.18 0.05 0.00 0.41 0.00 0.00 173.24 173.88 1o5p s ALA 63 N 0.35 0.92 -0.23 1.44 0.00 0.13 -4.64 121.76 119.72 1o5p s ALA 63 Ca 0.03 -0.72 -0.01 0.00 0.00 0.00 0.00 51.96 51.25 1o5p s ALA 63 Cb -0.12 -1.20 0.02 0.00 0.00 0.00 0.00 23.12 21.82 1o5p s ALA 63 CO 0.00 -1.24 -0.09 -1.54 0.00 0.00 0.00 175.76 172.89 1o5p s SER 64 N 1.90 4.05 -0.07 0.00 1.04 -1.26 0.14 113.70 119.49 1o5p s SER 64 Ca 0.01 -0.76 -0.08 0.00 0.48 0.00 0.00 55.95 55.60 1o5p s SER 64 Cb -0.17 -1.63 0.02 0.00 0.10 0.00 0.00 66.02 64.34 1o5p s SER 64 CO -0.11 -0.08 0.22 0.28 0.98 0.00 0.00 173.24 174.53 1o5p s THR 65 N 1.34 0.01 -0.14 2.02 -1.32 -0.97 -5.00 115.64 111.58 1o5p s THR 65 Ca 0.02 -0.08 -0.08 0.00 -1.21 0.00 0.00 61.69 60.34 1o5p s THR 65 Cb -0.16 -0.34 -0.04 0.00 -1.51 0.00 0.00 72.50 70.45 1o5p s THR 65 CO -0.06 -0.04 0.13 -0.94 -2.21 0.00 0.00 174.62 171.49 1o5p s SER 66 N -0.07 6.28 0.26 8.08 1.04 -1.26 -2.08 113.70 125.94 1o5p s SER 66 Ca -0.02 0.38 0.02 0.00 0.48 0.00 0.00 55.95 56.81 1o5p s SER 66 Cb -0.02 -2.05 -0.04 0.00 0.10 0.00 0.00 66.02 64.01 1o5p s SER 66 CO 0.01 0.34 0.14 -0.76 0.98 0.00 0.00 173.24 173.95 1o5p s LEU 67 N -0.61 1.48 -0.23 2.42 1.02 -0.35 -4.94 118.68 117.49 1o5p s LEU 67 Ca 0.13 -1.47 -0.08 0.00 0.02 0.00 0.00 54.13 52.73 1o5p s LEU 67 Cb -0.12 0.25 -0.04 0.00 0.02 0.00 0.00 46.19 46.31 1o5p s LEU 67 CO 0.02 -0.85 0.08 0.42 0.02 0.00 0.00 176.35 176.04 1o5p s THR 68 N -3.83 4.57 0.02 5.49 -4.23 -1.21 0.20 115.64 116.65 1o5p s THR 68 Ca 0.38 -0.09 0.03 0.00 -1.18 0.00 0.00 61.69 60.83 1o5p s THR 68 Cb 0.06 -3.11 -0.01 0.00 1.34 0.00 0.00 72.50 70.77 1o5p s THR 68 CO 0.16 0.37 -0.10 0.68 -0.54 0.00 0.00 174.62 175.19 1o5p s VAL 69 N 1.18 0.77 0.00 2.29 -7.23 -0.87 -4.31 120.40 112.22 1o5p s VAL 69 Ca 0.05 -0.68 0.00 0.00 -1.81 0.00 0.00 61.98 59.54 1o5p s VAL 69 Cb -0.14 -0.69 0.00 0.00 0.56 0.00 0.00 36.38 36.10 1o5p s VAL 69 CO 0.04 0.02 0.00 -2.11 -0.31 0.00 0.00 175.10 172.74 1o5p n ARG 70 N 2.32 0.00 0.00 4.82 1.85 -1.26 -4.15 116.66 120.24 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 0.56 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.97 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 0.17 -0.41 0.00 -0.77 0.00 0.00 57.85 56.84 1o5p n ARG 71 Cb 0.00 -0.90 -0.03 0.00 -1.02 0.00 0.00 32.46 30.51 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 -1.82 7.07 -0.27 0.55 1.04 -1.26 0.30 113.70 119.31 1o5p s SER 72 Ca 0.00 2.35 -0.22 0.00 0.48 0.00 0.00 55.95 58.57 1o5p s SER 72 Cb 0.00 -2.62 0.07 0.00 0.10 0.00 0.00 66.02 63.57 1o5p s SER 72 CO 0.00 -0.33 0.70 0.72 0.98 0.00 0.00 173.24 175.30 1o5p s PHE 73 N -0.66 -0.86 -0.27 5.02 -0.71 -0.77 -4.86 117.98 114.87 1o5p s PHE 73 Ca 0.49 1.95 -0.33 0.00 -1.04 0.00 0.00 56.93 58.00 1o5p s PHE 73 Cb -0.34 0.37 -0.15 0.00 -1.21 0.00 0.00 43.02 41.69 1o5p s PHE 73 CO 0.42 -0.42 1.08 0.39 -1.34 0.00 0.00 175.22 175.35 1o5p n GLU 74 N 3.19 0.00 -1.19 1.99 -0.58 -1.26 -1.35 120.64 121.44 1o5p n GLU 74 Ca -0.16 0.00 -0.21 0.00 -0.42 0.00 0.00 57.16 56.37 1o5p n GLU 74 Cb 0.56 -1.10 -0.02 0.00 -0.57 0.00 0.00 31.44 30.31 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 2.47 4.14 3.17 0.62 0.00 -0.27 -2.98 105.19 112.34 1o5p n GLY 75 Ca 0.21 -1.49 -0.58 0.00 0.00 0.00 0.00 46.02 44.16 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 0.76 1.28 -3.07 1.61 3.01 -0.24 -2.16 117.46 118.65 1o5p n PHE 76 Ca 0.40 0.84 -0.40 0.00 1.01 0.00 0.00 57.45 59.30 1o5p n PHE 76 Cb 0.59 -2.09 -0.05 0.00 -0.01 0.00 0.00 39.48 37.92 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 4.47 4.21 -0.30 4.37 2.96 -0.71 -1.97 118.68 131.71 1o5p s LEU 77 Ca 1.05 1.00 -0.02 0.00 -0.22 0.00 0.00 54.13 55.94 1o5p s LEU 77 Cb -1.38 -2.99 -0.02 0.00 0.50 0.00 0.00 46.19 42.30 1o5p s LEU 77 CO 0.66 -0.22 1.38 0.33 -1.32 0.00 0.00 176.35 177.18 1o5p n PHE 78 N 4.58 0.44 -1.95 5.38 7.35 -1.23 -2.91 117.46 129.13 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 4.44 -0.00 0.00 -2.13 2.03 -1.26 -4.98 116.55 114.65 1o5p n ASP 79 Ca 0.16 -0.95 0.00 0.00 0.52 0.00 0.00 54.79 54.52 1o5p n ASP 79 Cb 0.07 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.47 1o5p n ASP 79 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1o5p n GLY 80 N 0.00 2.77 3.94 0.27 0.00 -1.14 -4.99 105.19 106.04 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 -1.03 4.86 -0.10 2.61 -4.23 -1.26 -4.96 115.64 111.52 1o5p s THR 81 Ca 0.00 -0.46 -0.01 0.00 -1.18 0.00 0.00 61.69 60.04 1o5p s THR 81 Cb 0.00 -3.78 -0.03 0.00 1.34 0.00 0.00 72.50 70.03 1o5p s THR 81 CO 0.00 -0.52 -0.04 0.00 -0.54 0.00 0.00 174.62 173.52 1o5p s ARG 82 N -4.37 3.12 0.34 3.99 1.70 -1.26 -1.74 118.95 120.73 1o5p s ARG 82 Ca 0.42 -0.50 0.23 0.00 -0.47 0.00 0.00 55.73 55.41 1o5p s ARG 82 Cb -0.10 -2.76 0.32 0.00 -0.57 0.00 0.00 34.95 31.85 1o5p s ARG 82 CO 0.37 0.53 1.49 2.35 -1.08 0.00 0.00 175.30 178.96 1o5p h TRP 83 N 5.71 0.00 0.00 5.89 7.01 -1.76 -3.46 115.95 129.34 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 1.18 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 28.24 1o5p h TRP 83 CO 0.57 0.00 0.00 0.41 -2.79 0.00 0.00 178.44 176.63 1o5p n GLY 84 N 1.16 1.34 3.60 2.65 0.00 -1.26 -4.90 105.19 107.77 1o5p n GLY 84 Ca 0.03 -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 -1.48 3.14 -0.62 2.61 -4.23 -1.26 -1.11 115.64 112.68 1o5p s THR 85 Ca 0.00 0.14 -0.27 0.00 -1.18 0.00 0.00 61.69 60.38 1o5p s THR 85 Cb 0.00 -3.19 0.03 0.00 1.34 0.00 0.00 72.50 70.69 1o5p s THR 85 CO 0.00 -0.12 1.16 -0.69 -0.54 0.00 0.00 174.62 174.43 1o5p s VAL 86 N 8.07 4.02 -0.29 2.29 1.01 -0.46 -4.73 120.40 130.32 1o5p s VAL 86 Ca 0.95 0.63 -0.29 0.00 0.00 0.00 0.00 61.98 63.28 1o5p s VAL 86 Cb -0.30 -4.74 -0.02 0.00 0.00 0.00 0.00 36.38 31.32 1o5p s VAL 86 CO 0.34 -1.43 1.80 -1.81 0.00 0.00 0.00 175.10 174.00 1o5p s ASP 87 N 3.15 5.97 0.00 3.32 1.01 -1.26 -1.85 116.67 127.01 1o5p s ASP 87 Ca 0.38 1.46 0.05 0.00 0.71 0.00 0.00 52.55 55.15 1o5p s ASP 87 Cb -0.09 -2.53 0.25 0.00 1.01 0.00 0.00 42.92 41.56 1o5p s ASP 87 CO 0.21 -1.62 1.00 0.00 0.21 0.00 0.00 175.17 174.97 1o5p n THR 89 N -1.29 0.00 -0.05 0.00 -2.24 -1.26 -4.04 114.28 105.40 1o5p n THR 89 Ca 0.02 -0.12 -0.10 0.00 -2.27 0.00 0.00 64.05 61.59 1o5p n THR 89 Cb 0.04 -0.03 -0.03 0.00 -2.10 0.00 0.00 70.33 68.21 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 -0.45 0.50 -3.60 4.28 -2.24 -0.07 -5.06 114.28 107.64 1o5p n THR 90 Ca 0.22 -0.13 -0.20 0.00 -2.27 0.00 0.00 64.05 61.66 1o5p n THR 90 Cb 0.23 -1.55 0.02 0.00 -2.10 0.00 0.00 70.33 66.92 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 -3.36 0.79 -3.01 6.98 0.00 -1.19 -5.10 120.51 115.63 1o5p n ALA 91 Ca -0.18 -1.80 -0.38 0.00 0.00 0.00 0.00 53.44 51.08 1o5p n ALA 91 Cb 0.63 0.68 -0.12 0.00 0.00 0.00 0.00 19.45 20.64 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 -2.63 3.18 -0.22 0.00 0.00 -1.26 -4.72 121.76 116.11 1o5p s ALA 92 Ca 0.33 -1.42 -0.13 0.00 0.00 0.00 0.00 51.96 50.74 1o5p s ALA 92 Cb -0.03 -2.28 -0.04 0.00 0.00 0.00 0.00 23.12 20.77 1o5p s ALA 92 CO 0.21 -0.91 0.28 0.00 0.00 0.00 0.00 175.76 175.34 1o5p s GLN 94 N 1.18 3.03 -0.38 0.00 -0.21 -0.64 -2.50 119.66 120.15 1o5p s GLN 94 Ca 0.13 -0.53 -0.12 0.00 0.02 0.00 0.00 55.36 54.86 1o5p s GLN 94 Cb -0.14 -2.83 0.02 0.00 1.00 0.00 0.00 33.01 31.05 1o5p s GLN 94 CO 0.06 0.63 0.23 0.08 -2.12 0.00 0.00 175.29 174.17 1o5p s VAL 95 N -1.24 4.85 0.04 1.09 1.01 0.13 -2.24 120.40 124.04 1o5p s VAL 95 Ca 0.24 -0.70 -0.01 0.00 0.00 0.00 0.00 61.98 61.52 1o5p s VAL 95 Cb -0.12 -3.67 0.00 0.00 0.00 0.00 0.00 36.38 32.60 1o5p s VAL 95 CO 0.16 -0.21 0.07 0.61 0.00 0.00 0.00 175.10 175.72 1o5p n GLY 96 N 5.06 2.80 2.93 4.51 0.00 -1.08 0.27 105.19 119.69 1o5p n GLY 96 Ca -0.12 -1.34 -0.23 0.00 0.00 0.00 0.00 46.02 44.34 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 -3.70 0.99 4.32 -1.25 -2.21 117.00 115.15 1o5p n LEU 97 Ca -0.00 -2.35 0.01 0.00 -0.02 0.00 0.00 56.01 53.65 1o5p n LEU 97 Cb 0.07 0.09 -0.00 0.00 -1.62 0.00 0.00 43.42 41.97 1o5p n LEU 97 CO 0.04 -0.45 1.05 -0.55 -1.22 0.00 0.00 177.39 176.25 1o5p s SER 98 N -3.40 -0.05 0.00 -1.43 0.15 -0.06 -4.36 113.70 104.55 1o5p s SER 98 Ca 0.14 -0.18 0.00 0.00 0.70 0.00 0.00 55.95 56.62 1o5p s SER 98 Cb -0.01 0.18 0.00 0.00 -1.71 0.00 0.00 66.02 64.48 1o5p s SER 98 CO 0.09 -0.35 0.00 -0.90 1.20 0.00 0.00 173.24 173.28 1o5p n ASP 99 N -0.62 1.80 -1.68 5.45 5.75 -1.24 0.28 116.55 126.29 1o5p n ASP 99 Ca -0.06 -0.23 -0.17 0.00 -0.01 0.00 0.00 54.79 54.32 1o5p n ASP 99 Cb 0.62 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 4.85 -0.02 2.12 0.00 -1.26 -4.60 120.51 118.60 1o5p n ALA 100 Ca 0.00 -3.55 -0.02 0.00 0.00 0.00 0.00 53.44 49.87 1o5p n ALA 100 Cb 0.00 -0.60 -0.02 0.00 0.00 0.00 0.00 19.45 18.83 1o5p n ALA 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1o5p n ALA 101 N -0.88 1.92 0.00 0.00 0.00 -1.26 -5.02 120.51 115.27 1o5p n ALA 101 Ca 0.41 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.64 1o5p n ALA 101 Cb 0.90 0.25 0.00 0.00 0.00 0.00 0.00 19.45 20.60 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 2.96 1.04 2.93 0.00 0.00 -1.26 -5.14 105.19 105.72 1o5p n GLY 102 Ca -0.06 -0.08 -0.06 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.71 -0.10 1.61 5.03 -1.26 -4.99 115.26 113.84 1o5p n ASN 103 Ca 0.00 -2.14 0.00 0.00 0.87 0.00 0.00 54.58 53.31 1o5p n ASN 103 Cb 0.00 2.83 0.00 0.00 -1.02 0.00 0.00 39.78 41.59 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 -0.44 2.37 2.63 7.41 0.00 -1.26 -3.62 105.19 112.27 1o5p n GLY 104 Ca -0.06 -0.74 -0.11 0.00 0.00 0.00 0.00 46.02 45.11 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 -0.62 -2.64 1.61 -0.02 -1.26 -4.92 135.00 127.15 1o5p n PRO 105 Ca 0.00 -0.52 -0.22 0.00 -2.02 0.00 0.00 63.50 60.74 1o5p n PRO 105 Cb 0.00 -1.22 0.10 0.00 -0.02 0.00 0.00 33.50 32.36 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 -0.53 0.10 -4.38 -0.52 -0.58 -1.26 -4.66 120.64 108.80 1o5p n GLU 106 Ca 0.05 -2.78 -0.24 0.00 -0.42 0.00 0.00 57.16 53.77 1o5p n GLU 106 Cb 0.21 -0.53 -0.09 0.00 -0.57 0.00 0.00 31.44 30.46 1o5p n GLU 106 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 1o5p s GLY 107 N -4.92 1.94 -0.20 0.62 0.00 -1.26 -3.79 107.32 99.71 1o5p s GLY 107 Ca 0.63 -1.88 -0.10 0.00 0.00 0.00 0.00 44.72 43.37 1o5p s GLY 107 CO 0.42 -1.89 0.14 0.14 0.00 0.00 0.00 173.10 171.90 1o5p s VAL 108 N -2.48 5.40 -0.10 1.40 1.01 0.14 -4.72 120.40 121.05 1o5p s VAL 108 Ca 0.33 0.21 -0.30 0.00 0.00 0.00 0.00 61.98 62.22 1o5p s VAL 108 Cb -0.03 -3.48 -0.03 0.00 0.00 0.00 0.00 36.38 32.84 1o5p s VAL 108 CO 0.18 0.43 1.33 0.00 0.00 0.00 0.00 175.10 177.04 1o5p s ALA 109 N 0.41 3.61 0.49 5.51 0.00 -1.26 0.22 121.76 130.74 1o5p s ALA 109 Ca 0.08 0.63 0.06 0.00 0.00 0.00 0.00 51.96 52.73 1o5p s ALA 109 Cb -0.11 -3.62 0.03 0.00 0.00 0.00 0.00 23.12 19.42 1o5p s ALA 109 CO -0.01 -1.09 0.67 0.96 0.00 0.00 0.00 175.76 176.29 1o5p s ILE 110 N 3.16 2.77 0.06 0.00 -4.36 -1.04 -4.84 121.20 116.95 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 -0.25 -2.88 -0.04 0.00 1.25 0.00 0.00 42.46 40.54 1o5p s ILE 110 CO 0.20 0.00 -0.04 -0.44 0.24 0.00 0.00 174.94 174.90 1o5p s SER 111 N -4.43 0.69 -0.04 4.36 0.01 0.18 -4.73 113.70 109.74 1o5p s SER 111 Ca 0.57 -0.97 0.01 0.00 1.31 0.00 0.00 55.95 56.87 1o5p s SER 111 Cb -0.09 0.16 0.02 0.00 0.21 0.00 0.00 66.02 66.32 1o5p s SER 111 CO 0.36 -0.54 -0.03 -0.36 0.41 0.00 0.00 173.24 173.08 1o5p s PHE 112 N -3.66 0.66 -0.89 2.43 0.08 -1.26 -3.03 117.98 112.31 1o5p s PHE 112 Ca 0.07 -0.16 0.00 0.00 0.12 0.00 0.00 56.93 56.96 1o5p s PHE 112 Cb 0.06 -0.62 0.00 0.00 -0.57 0.00 0.00 43.02 41.89 1o5p s PHE 112 CO -0.08 -0.18 0.22 0.27 -0.10 0.00 0.00 175.22 175.35