#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 2.35 0.85 0.00 0.00 -1.26 -5.06 121.76 118.64 1o5p s ALA 2 Ca 0.00 -2.29 -0.12 0.00 0.00 0.00 0.00 51.96 49.54 1o5p s ALA 2 Cb 0.00 -1.85 0.09 0.00 0.00 0.00 0.00 23.12 21.36 1o5p s ALA 2 CO 0.00 -1.75 1.05 -2.30 0.00 0.00 0.00 175.76 172.75 1o5p n PRO 3 N 4.29 -0.06 -1.85 0.00 -0.02 -0.53 -4.19 135.00 132.63 1o5p n PRO 3 Ca 0.02 0.06 0.00 0.00 -2.02 0.00 0.00 63.50 61.56 1o5p n PRO 3 Cb 0.40 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.57 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 -3.56 0.00 -3.64 3.45 5.66 0.24 -4.86 114.28 111.57 1o5p n THR 4 Ca 0.12 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 -2.07 -0.47 1.79 0.00 -1.25 -0.98 121.76 117.77 1o5p s ALA 5 Ca 0.00 2.13 -0.14 0.00 0.00 0.00 0.00 51.96 53.95 1o5p s ALA 5 Cb 0.00 -1.54 0.08 0.00 0.00 0.00 0.00 23.12 21.66 1o5p s ALA 5 CO 0.00 -0.32 0.37 0.95 0.00 0.00 0.00 175.76 176.77 1o5p s THR 6 N 0.98 4.99 -0.19 0.00 -4.23 0.17 -4.77 115.64 112.59 1o5p s THR 6 Ca -0.05 -1.19 0.00 0.00 -1.18 0.00 0.00 61.69 59.27 1o5p s THR 6 Cb -0.04 -4.02 0.02 0.00 1.34 0.00 0.00 72.50 69.79 1o5p s THR 6 CO -0.12 -0.60 -0.17 -0.69 -0.54 0.00 0.00 174.62 172.51 1o5p s VAL 7 N 1.58 2.26 -0.12 2.29 1.01 -1.25 0.13 120.40 126.30 1o5p s VAL 7 Ca 0.04 -0.95 -0.30 0.00 0.00 0.00 0.00 61.98 60.77 1o5p s VAL 7 Cb -0.25 -2.00 0.09 0.00 0.00 0.00 0.00 36.38 34.22 1o5p s VAL 7 CO 0.05 0.46 0.79 -0.89 0.00 0.00 0.00 175.10 175.52 1o5p s THR 8 N 1.30 0.00 0.50 3.92 2.01 -0.62 -4.33 115.64 118.42 1o5p s THR 8 Ca 0.04 0.00 -0.19 0.00 0.31 0.00 0.00 61.69 61.85 1o5p s THR 8 Cb -0.14 -1.00 -0.08 0.00 0.01 0.00 0.00 72.50 71.29 1o5p s THR 8 CO -0.11 0.00 1.02 -2.16 -0.69 0.00 0.00 174.62 172.68 1o5p s PRO 9 N -0.86 3.80 0.07 4.92 0.05 -1.26 -1.31 135.00 140.40 1o5p s PRO 9 Ca -0.06 1.25 0.17 0.00 0.05 0.00 0.00 61.00 62.41 1o5p s PRO 9 Cb -0.01 -2.10 -0.13 0.00 0.05 0.00 0.00 34.50 32.31 1o5p s PRO 9 CO 0.05 -0.42 0.82 -1.13 0.05 0.00 0.00 177.00 176.38 1o5p n SER 10 N -1.17 0.84 -4.23 6.66 3.41 -1.26 -4.78 113.62 113.09 1o5p n SER 10 Ca 0.09 0.37 -0.13 0.00 -0.26 0.00 0.00 58.87 58.93 1o5p n SER 10 Cb 0.53 0.21 -0.10 0.00 -0.26 0.00 0.00 64.21 64.59 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 -5.73 0.98 -0.28 4.04 0.01 -1.26 0.52 113.70 111.98 1o5p s SER 11 Ca -0.03 -1.23 -0.01 0.00 1.31 0.00 0.00 55.95 55.99 1o5p s SER 11 Cb 0.09 0.17 0.00 0.00 0.21 0.00 0.00 66.02 66.49 1o5p s SER 11 CO 0.81 -0.64 0.17 0.61 0.41 0.00 0.00 173.24 174.60 1o5p n GLY 12 N -0.25 0.56 0.13 3.44 0.00 -1.14 -4.90 105.19 103.03 1o5p n GLY 12 Ca -0.05 -0.56 -0.22 0.00 0.00 0.00 0.00 46.02 45.20 1o5p n GLY 12 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1o5p n LEU 13 N -1.17 2.46 -0.98 0.99 4.77 -1.26 -5.05 117.00 116.77 1o5p n LEU 13 Ca -0.01 0.22 0.00 0.00 -0.03 0.00 0.00 56.01 56.19 1o5p n LEU 13 Cb 0.52 -1.04 0.00 0.00 -2.33 0.00 0.00 43.42 40.57 1o5p n LEU 13 CO 0.11 0.72 -0.29 -0.24 -1.33 0.00 0.00 177.39 176.35 1o5p n SER 14 N -3.72 -5.48 -4.48 -1.43 2.88 -1.26 -3.84 113.62 96.29 1o5p n SER 14 Ca -0.36 0.93 -0.46 0.00 -1.33 0.00 0.00 58.87 57.66 1o5p n SER 14 Cb 0.94 -2.65 -0.07 0.00 -0.75 0.00 0.00 64.21 61.68 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 -1.47 1.89 0.00 -3.46 5.75 -1.26 -1.98 116.55 116.02 1o5p n ASP 15 Ca 0.00 0.17 0.00 0.00 -0.01 0.00 0.00 54.79 54.95 1o5p n ASP 15 Cb 0.13 -1.28 0.00 0.00 -1.03 0.00 0.00 41.12 38.93 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 6.41 1.53 0.35 6.12 0.00 -1.26 -5.05 105.19 113.29 1o5p n GLY 16 Ca 0.44 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.44 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 -0.66 0.00 -4.55 2.61 5.66 -0.84 -4.96 114.28 111.54 1o5p n THR 17 Ca 0.00 -0.19 -0.21 0.00 -3.05 0.00 0.00 64.05 60.60 1o5p n THR 17 Cb 0.00 -0.74 -0.15 0.00 -1.55 0.00 0.00 70.33 67.89 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 0.27 0.98 0.20 1.08 1.01 -1.26 -1.94 120.40 120.74 1o5p s VAL 18 Ca 0.04 -0.52 0.11 0.00 0.00 0.00 0.00 61.98 61.61 1o5p s VAL 18 Cb -0.00 -0.83 -0.04 0.00 0.00 0.00 0.00 36.38 35.50 1o5p s VAL 18 CO 0.03 0.28 -0.19 0.68 0.00 0.00 0.00 175.10 175.90 1o5p s VAL 19 N -0.18 2.64 -0.35 2.92 -7.23 0.16 -4.75 120.40 113.61 1o5p s VAL 19 Ca 0.03 -1.96 -0.07 0.00 -1.81 0.00 0.00 61.98 58.17 1o5p s VAL 19 Cb -0.06 -2.30 0.04 0.00 0.56 0.00 0.00 36.38 34.63 1o5p s VAL 19 CO -0.00 -0.15 0.12 -0.75 -0.31 0.00 0.00 175.10 174.01 1o5p s LYS 20 N -2.83 2.61 -0.21 4.82 2.20 -0.43 -0.93 119.74 124.97 1o5p s LYS 20 Ca 0.23 -1.21 -0.07 0.00 -0.36 0.00 0.00 55.97 54.56 1o5p s LYS 20 Cb -0.08 -3.49 -0.03 0.00 -1.51 0.00 0.00 37.83 32.72 1o5p s LYS 20 CO 0.12 -0.70 0.05 0.54 -0.36 0.00 0.00 175.35 175.01 1o5p s VAL 21 N 1.40 4.39 0.37 4.02 0.11 -0.84 -1.59 120.40 128.26 1o5p s VAL 21 Ca -0.01 -0.16 0.08 0.00 -2.93 0.00 0.00 61.98 58.96 1o5p s VAL 21 Cb -0.20 -3.01 -0.06 0.00 -1.53 0.00 0.00 36.38 31.58 1o5p s VAL 21 CO 0.03 0.40 0.02 0.00 -3.33 0.00 0.00 175.10 172.21 1o5p s ALA 22 N 1.04 3.21 -0.00 1.54 0.00 0.35 -2.33 121.76 125.57 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 -0.15 -0.01 0.00 0.00 0.00 0.00 23.12 22.82 1o5p s ALA 22 CO 0.03 -0.02 -0.09 0.20 0.00 0.00 0.00 175.76 175.87 1o5p s GLY 23 N -3.72 0.47 -0.11 0.00 0.00 0.38 -0.65 107.32 103.68 1o5p s GLY 23 Ca 0.35 -0.44 -0.05 0.00 0.00 0.00 0.00 44.72 44.59 1o5p s GLY 23 CO 0.19 -0.39 0.24 0.00 0.00 0.00 0.00 173.10 173.14 1o5p s ALA 24 N -0.33 -0.51 0.00 3.20 0.00 -0.16 0.23 121.76 124.20 1o5p s ALA 24 Ca 0.03 0.91 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 22.24 1o5p s ALA 24 CO -0.00 -0.46 0.00 0.41 0.00 0.00 0.00 175.76 175.71 1o5p n GLY 25 N 4.91 1.00 3.96 0.00 0.00 -0.97 0.81 105.19 114.90 1o5p n GLY 25 Ca -0.14 -0.51 -0.25 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 2.92 -0.87 0.99 1.43 -0.73 -1.46 118.68 120.96 1o5p s LEU 26 Ca 0.00 0.04 -0.26 0.00 -1.03 0.00 0.00 54.13 52.89 1o5p s LEU 26 Cb 0.00 -2.50 -0.20 0.00 0.03 0.00 0.00 46.19 43.51 1o5p s LEU 26 CO 0.00 -1.83 2.52 0.00 0.23 0.00 0.00 176.35 177.27 1o5p n GLN 27 N -2.95 0.27 -1.23 1.70 3.00 -1.26 -4.06 117.38 112.85 1o5p n GLN 27 Ca 0.12 -0.06 -0.18 0.00 -0.01 0.00 0.00 57.00 56.86 1o5p n GLN 27 Cb 0.60 -2.01 -0.10 0.00 0.00 0.00 0.00 30.24 28.74 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 11.45 0.36 0.00 -1.58 0.00 -1.23 -1.35 120.51 128.16 1o5p n ALA 28 Ca 0.59 -2.06 0.00 0.00 0.00 0.00 0.00 53.44 51.97 1o5p n ALA 28 Cb 0.19 -2.84 0.00 0.00 0.00 0.00 0.00 19.45 16.80 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 5.51 0.43 2.80 0.00 0.00 0.92 -4.82 105.19 110.02 1o5p n GLY 29 Ca 0.34 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.19 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 -0.52 -0.34 -0.31 2.61 -4.23 -0.46 -4.88 115.64 107.50 1o5p s THR 30 Ca 0.00 -0.03 -0.39 0.00 -1.18 0.00 0.00 61.69 60.09 1o5p s THR 30 Cb 0.00 -0.63 -0.14 0.00 1.34 0.00 0.00 72.50 73.07 1o5p s THR 30 CO 0.00 -0.14 1.92 0.00 -0.54 0.00 0.00 174.62 175.86 1o5p n ALA 31 N 5.33 0.28 -2.62 3.99 0.00 -1.26 -2.72 120.51 123.51 1o5p n ALA 31 Ca -0.05 0.23 -0.27 0.00 0.00 0.00 0.00 53.44 53.35 1o5p n ALA 31 Cb 0.50 -2.32 -0.09 0.00 0.00 0.00 0.00 19.45 17.54 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 4.92 2.76 0.36 0.00 1.51 0.14 -4.26 117.35 122.78 1o5p s TYR 32 Ca 1.03 -0.17 0.06 0.00 -1.01 0.00 0.00 57.07 56.99 1o5p s TYR 32 Cb -1.03 -1.36 -0.01 0.00 -0.11 0.00 0.00 41.96 39.46 1o5p s TYR 32 CO 0.60 0.50 0.51 0.34 -1.11 0.00 0.00 175.55 176.39 1o5p s ASP 33 N -2.80 5.93 -0.14 2.29 -1.08 0.71 -1.46 116.67 120.12 1o5p s ASP 33 Ca 0.26 -0.12 -0.04 0.00 -0.52 0.00 0.00 52.55 52.12 1o5p s ASP 33 Cb -0.09 -1.25 0.07 0.00 -1.46 0.00 0.00 42.92 40.18 1o5p s ASP 33 CO 0.17 -0.49 0.22 0.54 0.52 0.00 0.00 175.17 176.12 1o5p s VAL 34 N -2.24 -0.33 0.10 1.11 0.11 -0.82 -1.25 120.40 117.07 1o5p s VAL 34 Ca 0.46 0.17 -0.14 0.00 -2.93 0.00 0.00 61.98 59.55 1o5p s VAL 34 Cb -0.10 -0.47 0.05 0.00 -1.53 0.00 0.00 36.38 34.33 1o5p s VAL 34 CO 0.32 0.02 0.64 0.61 -3.33 0.00 0.00 175.10 173.36 1o5p n GLY 35 N 5.33 0.82 3.50 6.54 0.00 -0.90 -0.36 105.19 120.12 1o5p n GLY 35 Ca -0.05 -1.05 -0.41 0.00 0.00 0.00 0.00 46.02 44.51 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 -2.03 3.33 0.09 1.61 -2.07 -1.26 -2.59 119.66 116.74 1o5p s GLN 36 Ca 0.14 -0.76 0.04 0.00 -1.82 0.00 0.00 55.36 52.97 1o5p s GLN 36 Cb -0.02 -3.85 -0.03 0.00 -1.09 0.00 0.00 33.01 28.02 1o5p s GLN 36 CO 0.03 -0.53 -0.12 0.00 -1.32 0.00 0.00 175.29 173.35 1o5p s ALA 38 N -2.08 1.11 -0.36 0.00 0.00 -0.67 -1.38 121.76 118.38 1o5p s ALA 38 Ca 0.04 -0.49 -0.17 0.00 0.00 0.00 0.00 51.96 51.33 1o5p s ALA 38 Cb -0.05 -0.36 -0.00 0.00 0.00 0.00 0.00 23.12 22.71 1o5p s ALA 38 CO 0.01 0.21 0.48 -1.58 0.00 0.00 0.00 175.76 174.88 1o5p s TRP 39 N 0.02 3.18 -0.82 0.00 0.51 -1.26 -1.69 118.94 118.88 1o5p s TRP 39 Ca -0.01 0.08 0.16 0.00 -2.12 0.00 0.00 56.10 54.21 1o5p s TRP 39 Cb -0.08 -2.88 0.58 0.00 -0.81 0.00 0.00 33.47 30.28 1o5p s TRP 39 CO 0.01 -0.54 1.50 1.33 -0.51 0.00 0.00 176.95 178.74 1o5p n VAL 40 N 5.40 1.78 -1.80 4.03 0.24 -0.89 -4.74 118.33 122.35 1o5p n VAL 40 Ca -0.06 -1.33 0.00 0.00 -2.04 0.00 0.00 64.34 60.91 1o5p n VAL 40 Cb 0.49 0.11 0.00 0.00 -1.47 0.00 0.00 33.84 32.97 1o5p n VAL 40 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1o5p n ASP 41 N 0.57 0.00 -4.55 -1.34 8.00 -1.26 -4.95 116.55 113.02 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 0.79 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.86 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 -2.55 3.44 0.00 -3.53 -4.23 -1.26 -2.88 115.64 104.64 1o5p s THR 42 Ca 0.00 0.02 0.00 0.00 -1.18 0.00 0.00 61.69 60.53 1o5p s THR 42 Cb 0.00 -4.11 0.00 0.00 1.34 0.00 0.00 72.50 69.73 1o5p s THR 42 CO 0.00 -1.07 0.00 0.61 -0.54 0.00 0.00 174.62 173.62 1o5p n GLY 43 N 6.04 0.75 3.13 3.99 0.00 -1.26 -5.05 105.19 112.79 1o5p n GLY 43 Ca 0.25 -0.69 -0.34 0.00 0.00 0.00 0.00 46.02 45.23 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 2.89 -0.32 1.61 1.01 -1.14 -4.98 120.40 117.47 1o5p s VAL 44 Ca 0.00 -1.69 -0.00 0.00 0.00 0.00 0.00 61.98 60.29 1o5p s VAL 44 Cb 0.00 -2.80 0.07 0.00 0.00 0.00 0.00 36.38 33.65 1o5p s VAL 44 CO 0.00 -0.30 0.02 -0.22 0.00 0.00 0.00 175.10 174.61 1o5p s LEU 45 N 1.17 4.20 -0.37 3.92 2.96 -1.26 -2.10 118.68 127.19 1o5p s LEU 45 Ca -0.00 -1.58 -0.16 0.00 -0.22 0.00 0.00 54.13 52.17 1o5p s LEU 45 Cb -0.20 -1.69 0.00 0.00 0.50 0.00 0.00 46.19 44.80 1o5p s LEU 45 CO -0.03 -0.32 0.40 0.00 -1.32 0.00 0.00 176.35 175.08 1o5p s ALA 46 N 1.15 3.47 0.03 5.97 0.00 -0.68 -3.59 121.76 128.11 1o5p s ALA 46 Ca -0.01 -1.32 0.01 0.00 0.00 0.00 0.00 51.96 50.65 1o5p s ALA 46 Cb -0.20 -2.92 -0.04 0.00 0.00 0.00 0.00 23.12 19.95 1o5p s ALA 46 CO -0.04 -1.28 0.07 0.00 0.00 0.00 0.00 175.76 174.51 1o5p s ASN 48 N -2.01 6.47 0.00 0.00 2.47 -0.94 -1.10 114.94 119.83 1o5p s ASN 48 Ca 0.25 0.55 0.00 0.00 0.42 0.00 0.00 52.86 54.09 1o5p s ASN 48 Cb -0.12 -2.14 0.00 0.00 -1.45 0.00 0.00 41.25 37.54 1o5p s ASN 48 CO 0.17 0.28 0.61 -0.81 -3.72 0.00 0.00 177.10 173.63 1o5p n PRO 49 N 2.59 0.74 0.00 0.43 -0.04 -1.26 -3.23 135.00 134.23 1o5p n PRO 49 Ca -0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.30 1o5p n PRO 49 Cb 0.53 -1.21 0.00 0.00 -0.04 0.00 0.00 33.50 32.78 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 0.45 2.14 -1.80 0.55 0.00 -1.26 -4.58 120.51 116.01 1o5p n ALA 50 Ca 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 53.44 52.66 1o5p n ALA 50 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.76 1o5p n ALA 50 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1o5p n ASP 51 N -0.29 0.00 -4.52 0.00 5.75 -1.20 -2.42 116.55 113.87 1o5p n ASP 51 Ca 0.00 -1.77 -0.42 0.00 -0.01 0.00 0.00 54.79 52.58 1o5p n ASP 51 Cb 0.16 -0.15 -0.03 0.00 -1.03 0.00 0.00 41.12 40.07 1o5p n ASP 51 CO 0.00 0.00 0.00 -0.36 -0.11 0.00 0.00 177.20 176.73 1o5p s PHE 52 N 0.00 2.76 0.00 2.11 0.08 -1.25 -3.03 117.98 118.65 1o5p s PHE 52 Ca 0.00 -1.06 0.00 0.00 0.12 0.00 0.00 56.93 55.99 1o5p s PHE 52 Cb 0.00 -4.54 0.00 0.00 -0.57 0.00 0.00 43.02 37.91 1o5p s PHE 52 CO 0.00 -1.77 0.00 0.43 -0.10 0.00 0.00 175.22 173.78 1o5p n SER 53 N 8.00 1.00 0.00 1.36 7.64 0.52 -4.92 113.62 127.21 1o5p n SER 53 Ca 0.30 -0.68 0.00 0.00 1.01 0.00 0.00 58.87 59.50 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 -1.35 0.00 -3.70 6.43 2.88 -1.26 -1.94 113.62 114.68 1o5p n SER 54 Ca 0.00 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.44 1o5p n SER 54 Cb 0.00 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.41 1o5p n SER 54 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1o5p s VAL 55 N -0.56 0.09 -0.01 2.46 0.11 -0.53 -4.96 120.40 116.99 1o5p s VAL 55 Ca 0.00 -0.74 -0.05 0.00 -2.93 0.00 0.00 61.98 58.26 1o5p s VAL 55 Cb 0.00 -1.20 -0.04 0.00 -1.53 0.00 0.00 36.38 33.61 1o5p s VAL 55 CO 0.00 -0.41 0.23 -0.89 -3.33 0.00 0.00 175.10 170.70 1o5p s THR 56 N -3.75 5.37 -0.36 5.04 2.01 -1.26 0.26 115.64 122.95 1o5p s THR 56 Ca 0.03 0.07 -0.28 0.00 0.31 0.00 0.00 61.69 61.83 1o5p s THR 56 Cb 0.03 -3.54 -0.03 0.00 0.01 0.00 0.00 72.50 68.97 1o5p s THR 56 CO -0.11 0.39 1.91 0.00 -0.69 0.00 0.00 174.62 176.12 1o5p s ALA 57 N -1.27 2.66 0.00 7.40 0.00 -1.10 -4.68 121.76 124.77 1o5p s ALA 57 Ca 0.26 0.20 0.00 0.00 0.00 0.00 0.00 51.96 52.41 1o5p s ALA 57 Cb -0.13 -4.09 0.00 0.00 0.00 0.00 0.00 23.12 18.90 1o5p s ALA 57 CO 0.15 -2.96 0.00 -3.47 0.00 0.00 0.00 175.76 169.48 1o5p n ASP 58 N 11.23 0.00 -0.13 0.00 2.03 -1.26 0.31 116.55 128.73 1o5p n ASP 58 Ca 0.25 0.00 -0.05 0.00 0.52 0.00 0.00 54.79 55.50 1o5p n ASP 58 Cb 0.48 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 0.08 0.00 -1.67 0.00 -1.92 -3.08 119.26 110.67 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 0.53 -0.05 0.00 0.00 0.00 0.00 17.79 18.26 1o5p h ALA 59 CO 0.00 -0.58 -2.10 0.09 0.00 0.00 0.00 179.25 176.67 1o5p n ASN 60 N -5.39 1.44 0.00 0.00 3.02 -1.26 -4.56 115.26 108.51 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 0.30 0.59 0.00 0.00 -0.61 0.00 0.00 39.78 40.06 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 2.16 0.74 3.63 7.41 0.00 -1.16 -1.78 105.19 116.18 1o5p n GLY 61 Ca -0.28 -0.74 -0.35 0.00 0.00 0.00 0.00 46.02 44.65 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 -1.23 5.65 -0.20 1.61 0.01 -1.25 -2.29 113.70 115.99 1o5p s SER 62 Ca 0.00 0.07 -0.03 0.00 1.31 0.00 0.00 55.95 57.30 1o5p s SER 62 Cb 0.00 -1.98 0.07 0.00 0.21 0.00 0.00 66.02 64.32 1o5p s SER 62 CO 0.00 0.15 0.05 0.00 0.41 0.00 0.00 173.24 173.86 1o5p s ALA 63 N 0.50 0.92 -0.22 1.44 0.00 0.14 -4.63 121.76 119.90 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 -0.13 -1.20 0.02 0.00 0.00 0.00 0.00 23.12 21.82 1o5p s ALA 63 CO 0.01 -1.24 -0.11 -1.54 0.00 0.00 0.00 175.76 172.87 1o5p s SER 64 N 1.90 3.88 -0.06 0.00 1.04 -1.26 0.14 113.70 119.34 1o5p s SER 64 Ca 0.01 -0.75 -0.08 0.00 0.48 0.00 0.00 55.95 55.61 1o5p s SER 64 Cb -0.17 -1.60 0.02 0.00 0.10 0.00 0.00 66.02 64.37 1o5p s SER 64 CO -0.11 -0.07 0.22 0.28 0.98 0.00 0.00 173.24 174.54 1o5p s THR 65 N 1.32 0.02 -0.09 2.02 -1.32 -0.98 -4.99 115.64 111.62 1o5p s THR 65 Ca 0.02 -0.16 -0.05 0.00 -1.21 0.00 0.00 61.69 60.30 1o5p s THR 65 Cb -0.15 -0.37 -0.04 0.00 -1.51 0.00 0.00 72.50 70.43 1o5p s THR 65 CO -0.08 -0.09 0.11 -0.94 -2.21 0.00 0.00 174.62 171.41 1o5p s SER 66 N -0.26 6.03 0.16 8.08 1.04 -1.26 -1.98 113.70 125.52 1o5p s SER 66 Ca -0.04 0.34 -0.03 0.00 0.48 0.00 0.00 55.95 56.71 1o5p s SER 66 Cb -0.03 -1.87 -0.03 0.00 0.10 0.00 0.00 66.02 64.19 1o5p s SER 66 CO 0.01 0.37 0.13 -1.48 0.98 0.00 0.00 173.24 173.25 1o5p s LEU 67 N -1.18 1.40 -0.22 2.42 0.05 -0.10 -4.94 118.68 116.10 1o5p s LEU 67 Ca 0.17 -1.21 -0.14 0.00 0.05 0.00 0.00 54.13 53.00 1o5p s LEU 67 Cb -0.12 0.51 -0.04 0.00 -2.05 0.00 0.00 46.19 44.49 1o5p s LEU 67 CO 0.06 -0.81 0.32 0.42 -0.55 0.00 0.00 176.35 175.80 1o5p s THR 68 N -4.07 5.25 0.01 5.48 -4.23 -1.02 0.35 115.64 117.41 1o5p s THR 68 Ca 0.28 0.54 0.01 0.00 -1.18 0.00 0.00 61.69 61.33 1o5p s THR 68 Cb 0.06 -3.66 -0.01 0.00 1.34 0.00 0.00 72.50 70.24 1o5p s THR 68 CO 0.05 0.27 -0.03 0.68 -0.54 0.00 0.00 174.62 175.06 1o5p s VAL 69 N 1.30 0.19 0.00 2.29 -7.23 -0.82 -4.10 120.40 112.04 1o5p s VAL 69 Ca 0.15 -0.31 0.00 0.00 -1.81 0.00 0.00 61.98 60.01 1o5p s VAL 69 Cb -0.14 -0.21 0.00 0.00 0.56 0.00 0.00 36.38 36.59 1o5p s VAL 69 CO 0.07 -0.08 0.00 -2.11 -0.31 0.00 0.00 175.10 172.67 1o5p n ARG 70 N 2.65 0.22 0.00 4.82 1.85 -1.26 -4.18 116.66 120.75 1o5p n ARG 70 Ca -0.15 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.70 1o5p n ARG 70 Cb 0.58 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.99 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 -1.89 2.89 3.00 -1.26 -4.70 116.66 114.69 1o5p n ARG 71 Ca 0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 57.85 57.43 1o5p n ARG 71 Cb 0.00 -0.50 -0.02 0.00 0.00 0.00 0.00 32.46 31.95 1o5p n ARG 71 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 1o5p s SER 72 N -1.29 6.50 -0.28 0.55 0.01 -1.26 -1.52 113.70 116.42 1o5p s SER 72 Ca 0.00 2.85 -0.19 0.00 1.31 0.00 0.00 55.95 59.92 1o5p s SER 72 Cb 0.00 -2.64 0.09 0.00 0.21 0.00 0.00 66.02 63.68 1o5p s SER 72 CO 0.00 -0.80 0.75 0.72 0.41 0.00 0.00 173.24 174.32 1o5p s PHE 73 N -0.36 -0.90 -0.32 2.43 -0.71 -0.81 -4.84 117.98 112.47 1o5p s PHE 73 Ca 0.58 1.92 -0.31 0.00 -1.04 0.00 0.00 56.93 58.08 1o5p s PHE 73 Cb -0.45 0.49 -0.13 0.00 -1.21 0.00 0.00 43.02 41.72 1o5p s PHE 73 CO 0.50 -0.44 1.04 0.39 -1.34 0.00 0.00 175.22 175.37 1o5p n GLU 74 N 3.66 0.00 -1.64 1.99 -0.58 -1.26 -1.91 120.64 120.90 1o5p n GLU 74 Ca -0.18 0.00 -0.31 0.00 -0.42 0.00 0.00 57.16 56.26 1o5p n GLU 74 Cb 0.58 -0.98 -0.03 0.00 -0.57 0.00 0.00 31.44 30.44 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 2.60 4.69 3.17 0.62 0.00 -0.57 -2.31 105.19 113.38 1o5p n GLY 75 Ca 0.20 -2.04 -0.58 0.00 0.00 0.00 0.00 46.02 43.60 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 0.59 1.37 -2.99 1.61 3.01 -0.26 -2.27 117.46 118.52 1o5p n PHE 76 Ca 0.51 0.90 -0.41 0.00 1.01 0.00 0.00 57.45 59.46 1o5p n PHE 76 Cb 0.46 -2.00 -0.05 0.00 -0.01 0.00 0.00 39.48 37.88 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 3.63 4.23 -0.25 4.37 2.96 -0.55 -1.87 118.68 131.20 1o5p s LEU 77 Ca 0.98 1.12 -0.02 0.00 -0.22 0.00 0.00 54.13 55.99 1o5p s LEU 77 Cb -1.33 -3.12 -0.02 0.00 0.50 0.00 0.00 46.19 42.22 1o5p s LEU 77 CO 0.68 -0.27 1.31 0.33 -1.32 0.00 0.00 176.35 177.08 1o5p n PHE 78 N 4.63 0.37 -1.95 5.38 7.35 -1.24 -2.90 117.46 129.10 1o5p n PHE 78 Ca 0.01 -0.86 -0.00 0.00 -0.76 0.00 0.00 57.45 55.84 1o5p n PHE 78 Cb 0.50 -0.89 -0.00 0.00 0.35 0.00 0.00 39.48 39.44 1o5p n PHE 78 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 1o5p n ASP 79 N 4.45 -0.03 0.00 -2.13 -0.08 -1.26 -4.98 116.55 112.53 1o5p n ASP 79 Ca 0.13 -0.98 0.00 0.00 -1.51 0.00 0.00 54.79 52.44 1o5p n ASP 79 Cb 0.06 0.01 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 2.71 3.96 0.27 0.00 -1.14 -4.99 105.19 106.00 1o5p n GLY 80 Ca -0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.04 4.22 -0.07 2.61 -4.23 -1.26 -4.96 115.64 110.91 1o5p s THR 81 Ca 0.00 -0.65 -0.00 0.00 -1.18 0.00 0.00 61.69 59.86 1o5p s THR 81 Cb 0.00 -3.53 -0.03 0.00 1.34 0.00 0.00 72.50 70.28 1o5p s THR 81 CO 0.00 -0.32 -0.04 0.00 -0.54 0.00 0.00 174.62 173.72 1o5p s ARG 82 N -4.40 2.84 0.35 3.99 1.70 -1.26 -1.48 118.95 120.68 1o5p s ARG 82 Ca 0.46 -0.50 0.21 0.00 -0.47 0.00 0.00 55.73 55.42 1o5p s ARG 82 Cb -0.10 -2.66 0.20 0.00 -0.57 0.00 0.00 34.95 31.82 1o5p s ARG 82 CO 0.35 0.67 1.44 2.35 -1.08 0.00 0.00 175.30 179.04 1o5p h TRP 83 N 5.24 0.00 0.00 5.89 7.01 -1.77 -3.45 115.95 128.87 1o5p h TRP 83 Ca -0.49 0.00 0.00 0.00 2.11 0.00 0.00 58.89 60.51 1o5p h TRP 83 Cb 1.18 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 28.24 1o5p h TRP 83 CO 0.59 0.16 0.00 0.41 -2.79 0.00 0.00 178.44 176.80 1o5p n GLY 84 N 1.16 1.44 3.60 2.65 0.00 -1.26 -4.92 105.19 107.86 1o5p n GLY 84 Ca 0.02 -2.21 -0.43 0.00 0.00 0.00 0.00 46.02 43.40 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 -1.43 3.23 -0.65 2.61 -4.23 -1.26 -1.52 115.64 112.39 1o5p s THR 85 Ca 0.00 0.24 -0.26 0.00 -1.18 0.00 0.00 61.69 60.49 1o5p s THR 85 Cb 0.00 -3.30 0.04 0.00 1.34 0.00 0.00 72.50 70.58 1o5p s THR 85 CO 0.00 -0.18 1.15 -0.69 -0.54 0.00 0.00 174.62 174.36 1o5p s VAL 86 N 7.45 4.00 -0.25 2.29 1.01 -0.80 -4.74 120.40 129.36 1o5p s VAL 86 Ca 0.90 0.40 -0.28 0.00 0.00 0.00 0.00 61.98 63.00 1o5p s VAL 86 Cb -0.29 -4.77 -0.03 0.00 0.00 0.00 0.00 36.38 31.29 1o5p s VAL 86 CO 0.34 -1.53 1.93 -1.81 0.00 0.00 0.00 175.10 174.03 1o5p s ASP 87 N 3.37 5.83 0.00 3.32 1.01 -1.26 -1.93 116.67 127.02 1o5p s ASP 87 Ca 0.34 1.63 0.08 0.00 0.71 0.00 0.00 52.55 55.32 1o5p s ASP 87 Cb -0.10 -2.52 0.41 0.00 1.01 0.00 0.00 42.92 41.72 1o5p s ASP 87 CO 0.18 -1.70 1.10 0.00 0.21 0.00 0.00 175.17 174.95 1o5p n THR 89 N -1.25 0.10 -0.01 0.00 -2.24 -1.26 -4.08 114.28 105.55 1o5p n THR 89 Ca 0.04 -0.19 -0.01 0.00 -2.27 0.00 0.00 64.05 61.62 1o5p n THR 89 Cb 0.06 0.08 -0.00 0.00 -2.10 0.00 0.00 70.33 68.37 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 -0.19 0.06 -3.42 4.28 -2.24 -0.27 -5.08 114.28 107.43 1o5p n THR 90 Ca 0.16 -0.02 -0.20 0.00 -2.27 0.00 0.00 64.05 61.73 1o5p n THR 90 Cb 0.22 -1.50 0.03 0.00 -2.10 0.00 0.00 70.33 66.98 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 -3.04 0.91 -2.96 6.98 0.00 -1.18 -5.09 120.51 116.12 1o5p n ALA 91 Ca -0.02 -1.87 -0.38 0.00 0.00 0.00 0.00 53.44 51.17 1o5p n ALA 91 Cb 0.52 0.64 -0.12 0.00 0.00 0.00 0.00 19.45 20.48 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 -2.64 3.21 -0.25 0.00 0.00 -1.26 -4.72 121.76 116.09 1o5p s ALA 92 Ca 0.41 -1.46 -0.13 0.00 0.00 0.00 0.00 51.96 50.77 1o5p s ALA 92 Cb -0.03 -2.34 -0.04 0.00 0.00 0.00 0.00 23.12 20.70 1o5p s ALA 92 CO 0.26 -0.99 0.29 0.00 0.00 0.00 0.00 175.76 175.31 1o5p s GLN 94 N 1.66 3.28 -0.37 0.00 -0.21 -0.48 -2.54 119.66 121.00 1o5p s GLN 94 Ca 0.12 -0.43 -0.12 0.00 0.02 0.00 0.00 55.36 54.96 1o5p s GLN 94 Cb -0.15 -2.98 0.02 0.00 1.00 0.00 0.00 33.01 30.90 1o5p s GLN 94 CO 0.09 0.64 0.22 0.08 -2.12 0.00 0.00 175.29 174.20 1o5p s VAL 95 N -1.33 4.70 0.03 1.09 1.01 0.12 -2.30 120.40 123.72 1o5p s VAL 95 Ca 0.28 -0.77 -0.00 0.00 0.00 0.00 0.00 61.98 61.48 1o5p s VAL 95 Cb -0.12 -3.60 0.00 0.00 0.00 0.00 0.00 36.38 32.66 1o5p s VAL 95 CO 0.20 -0.21 0.05 0.61 0.00 0.00 0.00 175.10 175.74 1o5p n GLY 96 N 5.02 2.77 3.80 4.51 0.00 -1.07 0.27 105.19 120.50 1o5p n GLY 96 Ca -0.12 -1.31 -0.31 0.00 0.00 0.00 0.00 46.02 44.29 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 -3.65 0.99 4.32 -1.23 -2.12 117.00 115.31 1o5p n LEU 97 Ca -0.00 -3.14 -0.02 0.00 -0.02 0.00 0.00 56.01 52.83 1o5p n LEU 97 Cb 0.05 0.20 -0.01 0.00 -1.62 0.00 0.00 43.42 42.04 1o5p n LEU 97 CO 0.02 -0.52 0.88 -0.94 -1.22 0.00 0.00 177.39 175.62 1o5p s SER 98 N -4.04 -0.15 0.00 -1.43 1.04 -0.38 -4.28 113.70 104.45 1o5p s SER 98 Ca 0.13 -0.20 0.00 0.00 0.48 0.00 0.00 55.95 56.36 1o5p s SER 98 Cb -0.01 0.31 0.00 0.00 0.10 0.00 0.00 66.02 66.42 1o5p s SER 98 CO 0.08 -0.56 0.00 -0.90 0.98 0.00 0.00 173.24 172.84 1o5p n ASP 99 N -0.40 1.28 -1.58 7.02 5.75 -1.23 0.25 116.55 127.65 1o5p n ASP 99 Ca -0.06 -0.01 -0.15 0.00 -0.01 0.00 0.00 54.79 54.55 1o5p n ASP 99 Cb 0.61 0.00 0.09 0.00 -1.03 0.00 0.00 41.12 40.79 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 4.66 -0.01 2.12 0.00 -1.26 -4.64 120.51 118.38 1o5p n ALA 100 Ca 0.00 -3.60 -0.01 0.00 0.00 0.00 0.00 53.44 49.83 1o5p n ALA 100 Cb 0.00 -0.43 -0.01 0.00 0.00 0.00 0.00 19.45 19.01 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 1.95 0.00 0.00 0.00 -1.26 -5.02 120.51 115.32 1o5p n ALA 101 Ca 0.37 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.69 1o5p n ALA 101 Cb 0.88 0.28 0.00 0.00 0.00 0.00 0.00 19.45 20.61 1o5p n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1o5p n GLY 102 N 3.02 1.00 3.09 0.00 0.00 -1.26 -5.14 105.19 105.90 1o5p n GLY 102 Ca -0.04 -0.07 -0.07 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.88 -0.15 1.61 5.03 -1.26 -4.99 115.26 113.62 1o5p n ASN 103 Ca 0.00 -2.32 0.00 0.00 0.87 0.00 0.00 54.58 53.13 1o5p n ASN 103 Cb 0.00 3.14 0.00 0.00 -1.02 0.00 0.00 39.78 41.90 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 2.24 2.94 7.41 0.00 -1.26 -3.51 105.19 112.57 1o5p n GLY 104 Ca -0.07 -0.75 -0.13 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 -1.86 -0.81 1.61 -0.01 -1.26 -4.91 135.00 127.75 1o5p n PRO 105 Ca 0.00 -0.55 -0.01 0.00 -0.01 0.00 0.00 63.50 62.92 1o5p n PRO 105 Cb 0.00 -1.36 0.01 0.00 -0.01 0.00 0.00 33.50 32.14 1o5p n PRO 105 CO 0.00 0.00 0.00 -0.85 -0.01 0.00 0.00 175.50 174.64 1o5p n GLU 106 N -0.98 0.67 -4.43 -0.52 0.28 -1.26 -4.65 120.64 109.74 1o5p n GLU 106 Ca 0.05 -0.16 -0.22 0.00 -0.16 0.00 0.00 57.16 56.68 1o5p n GLU 106 Cb 0.25 -0.03 -0.10 0.00 1.43 0.00 0.00 31.44 32.98 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 -2.45 1.78 -0.20 -1.84 0.00 -1.26 -3.58 107.32 99.77 1o5p s GLY 107 Ca 0.04 -1.86 -0.11 0.00 0.00 0.00 0.00 44.72 42.79 1o5p s GLY 107 CO 0.02 -1.86 0.18 0.14 0.00 0.00 0.00 173.10 171.58 1o5p s VAL 108 N -2.87 5.37 -0.12 1.40 1.01 0.14 -4.71 120.40 120.62 1o5p s VAL 108 Ca 0.28 0.27 -0.29 0.00 0.00 0.00 0.00 61.98 62.24 1o5p s VAL 108 Cb 0.01 -3.52 -0.03 0.00 0.00 0.00 0.00 36.38 32.84 1o5p s VAL 108 CO 0.12 0.40 1.46 0.00 0.00 0.00 0.00 175.10 177.07 1o5p s ALA 109 N 0.61 3.62 0.48 5.51 0.00 -1.26 0.16 121.76 130.88 1o5p s ALA 109 Ca 0.10 0.67 0.06 0.00 0.00 0.00 0.00 51.96 52.79 1o5p s ALA 109 Cb -0.12 -3.69 0.03 0.00 0.00 0.00 0.00 23.12 19.34 1o5p s ALA 109 CO 0.01 -1.33 0.66 0.96 0.00 0.00 0.00 175.76 176.07 1o5p s ILE 110 N 3.85 2.79 0.05 0.00 -4.36 -1.05 -4.84 121.20 117.63 1o5p s ILE 110 Ca 0.64 -0.91 -0.00 0.00 -0.26 0.00 0.00 60.65 60.12 1o5p s ILE 110 Cb -0.27 -2.88 -0.03 0.00 1.25 0.00 0.00 42.46 40.53 1o5p s ILE 110 CO 0.22 0.00 -0.04 -0.55 0.24 0.00 0.00 174.94 174.81 1o5p s SER 111 N -4.42 0.56 -0.21 4.36 0.15 0.18 -4.72 113.70 109.60 1o5p s SER 111 Ca 0.57 -0.84 -0.01 0.00 0.70 0.00 0.00 55.95 56.37 1o5p s SER 111 Cb -0.09 0.14 0.06 0.00 -1.71 0.00 0.00 66.02 64.42 1o5p s SER 111 CO 0.35 -0.47 -0.00 -0.36 1.20 0.00 0.00 173.24 173.96 1o5p s PHE 112 N -3.04 1.55 -0.82 3.44 0.08 -1.26 -2.91 117.98 115.03 1o5p s PHE 112 Ca 0.00 -1.18 0.00 0.00 0.12 0.00 0.00 56.93 55.87 1o5p s PHE 112 Cb 0.01 -1.24 0.00 0.00 -0.57 0.00 0.00 43.02 41.23 1o5p s PHE 112 CO -0.06 -0.67 0.20 0.27 -0.10 0.00 0.00 175.22 174.87