#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 3.10 0.86 0.00 0.00 -1.26 -4.97 121.76 119.49 1o5p s ALA 2 Ca 0.00 -1.53 -0.12 0.00 0.00 0.00 0.00 51.96 50.31 1o5p s ALA 2 Cb 0.00 -0.80 0.12 0.00 0.00 0.00 0.00 23.12 22.43 1o5p s ALA 2 CO 0.00 0.38 1.18 -2.30 0.00 0.00 0.00 175.76 175.02 1o5p n PRO 3 N -0.42 -0.14 -1.56 0.00 -0.02 -0.44 -4.37 135.00 128.05 1o5p n PRO 3 Ca -0.08 0.03 0.00 0.00 -2.02 0.00 0.00 63.50 61.43 1o5p n PRO 3 Cb 0.57 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 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 -3.79 0.00 -3.64 3.45 5.66 0.41 -4.88 114.28 111.50 1o5p n THR 4 Ca 0.13 0.00 -0.07 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 -2.00 -0.43 1.79 0.00 -1.26 -1.33 121.76 117.53 1o5p s ALA 5 Ca 0.00 2.17 -0.10 0.00 0.00 0.00 0.00 51.96 54.03 1o5p s ALA 5 Cb 0.00 -1.48 0.08 0.00 0.00 0.00 0.00 23.12 21.72 1o5p s ALA 5 CO 0.00 -0.33 0.29 0.95 0.00 0.00 0.00 175.76 176.67 1o5p s THR 6 N 1.03 4.42 -0.13 0.00 -4.23 -0.09 -4.78 115.64 111.85 1o5p s THR 6 Ca -0.05 -1.36 0.02 0.00 -1.18 0.00 0.00 61.69 59.12 1o5p s THR 6 Cb -0.05 -3.70 0.00 0.00 1.34 0.00 0.00 72.50 70.09 1o5p s THR 6 CO -0.12 -0.54 -0.21 -0.69 -0.54 0.00 0.00 174.62 172.53 1o5p s VAL 7 N 1.46 2.23 -0.19 2.29 1.01 -1.24 0.12 120.40 126.08 1o5p s VAL 7 Ca 0.03 -0.93 -0.30 0.00 0.00 0.00 0.00 61.98 60.79 1o5p s VAL 7 Cb -0.23 -1.90 0.14 0.00 0.00 0.00 0.00 36.38 34.39 1o5p s VAL 7 CO 0.03 0.54 1.06 -0.89 0.00 0.00 0.00 175.10 175.85 1o5p s THR 8 N 0.70 0.00 0.56 3.92 2.01 -0.69 -4.47 115.64 117.67 1o5p s THR 8 Ca -0.09 0.00 -0.17 0.00 0.31 0.00 0.00 61.69 61.74 1o5p s THR 8 Cb -0.16 -1.00 -0.05 0.00 0.01 0.00 0.00 72.50 71.30 1o5p s THR 8 CO 0.01 0.00 1.05 -2.16 -0.69 0.00 0.00 174.62 172.83 1o5p s PRO 9 N -1.01 3.49 0.02 4.92 0.05 -1.26 -1.11 135.00 140.10 1o5p s PRO 9 Ca 0.00 1.25 0.21 0.00 0.05 0.00 0.00 61.00 62.50 1o5p s PRO 9 Cb -0.01 -2.05 -0.21 0.00 0.05 0.00 0.00 34.50 32.28 1o5p s PRO 9 CO -0.01 -0.67 0.62 0.43 0.05 0.00 0.00 177.00 177.42 1o5p n SER 10 N -1.68 0.37 -4.21 6.66 7.64 -1.26 -4.79 113.62 116.34 1o5p n SER 10 Ca 0.09 0.15 -0.12 0.00 1.01 0.00 0.00 58.87 60.00 1o5p n SER 10 Cb 0.53 1.13 -0.10 0.00 -1.01 0.00 0.00 64.21 64.75 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 -5.11 1.12 -0.29 6.43 0.01 -1.26 0.63 113.70 115.23 1o5p s SER 11 Ca -0.06 -1.11 -0.01 0.00 1.31 0.00 0.00 55.95 56.08 1o5p s SER 11 Cb 0.11 0.12 0.00 0.00 0.21 0.00 0.00 66.02 66.46 1o5p s SER 11 CO 0.85 -0.54 0.18 0.61 0.41 0.00 0.00 173.24 174.74 1o5p n GLY 12 N -0.16 0.55 0.12 3.44 0.00 -1.13 -4.90 105.19 103.11 1o5p n GLY 12 Ca -0.08 -0.55 -0.22 0.00 0.00 0.00 0.00 46.02 45.17 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 -1.19 2.22 -1.34 0.99 4.77 -1.26 -5.06 117.00 116.14 1o5p n LEU 13 Ca -0.01 0.32 0.00 0.00 -0.03 0.00 0.00 56.01 56.29 1o5p n LEU 13 Cb 0.52 -1.03 0.00 0.00 -2.33 0.00 0.00 43.42 40.58 1o5p n LEU 13 CO 0.11 0.55 -0.40 -0.24 -1.33 0.00 0.00 177.39 176.08 1o5p n SER 14 N -3.99 -7.26 -4.46 -1.43 2.88 -1.26 -3.76 113.62 94.34 1o5p n SER 14 Ca -0.33 1.44 -0.49 0.00 -1.33 0.00 0.00 58.87 58.16 1o5p n SER 14 Cb 0.86 -4.10 -0.07 0.00 -0.75 0.00 0.00 64.21 60.15 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 -2.01 2.14 0.00 -3.46 5.75 -1.26 -2.08 116.55 115.63 1o5p n ASP 15 Ca 0.00 0.36 0.00 0.00 -0.01 0.00 0.00 54.79 55.14 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 1.42 1.75 6.12 0.00 -1.26 -5.05 105.19 114.66 1o5p n GLY 16 Ca 0.41 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 -0.70 0.00 -4.48 2.61 5.66 -0.88 -4.97 114.28 111.52 1o5p n THR 17 Ca 0.00 -0.89 -0.21 0.00 -3.05 0.00 0.00 64.05 59.91 1o5p n THR 17 Cb 0.00 -0.71 -0.15 0.00 -1.55 0.00 0.00 70.33 67.92 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 -0.71 0.89 0.19 1.08 1.01 -1.26 -2.07 120.40 119.53 1o5p s VAL 18 Ca 0.25 -0.46 0.10 0.00 0.00 0.00 0.00 61.98 61.88 1o5p s VAL 18 Cb -0.02 -0.76 -0.04 0.00 0.00 0.00 0.00 36.38 35.56 1o5p s VAL 18 CO 0.16 0.26 -0.17 0.68 0.00 0.00 0.00 175.10 176.03 1o5p s VAL 19 N -0.11 2.74 -0.34 2.92 -7.23 0.18 -4.70 120.40 113.86 1o5p s VAL 19 Ca 0.02 -1.87 -0.06 0.00 -1.81 0.00 0.00 61.98 58.26 1o5p s VAL 19 Cb -0.06 -2.34 0.05 0.00 0.56 0.00 0.00 36.38 34.59 1o5p s VAL 19 CO -0.00 -0.12 0.11 -0.75 -0.31 0.00 0.00 175.10 174.03 1o5p s LYS 20 N -2.76 2.57 -0.21 4.82 2.20 -0.27 -0.45 119.74 125.65 1o5p s LYS 20 Ca 0.23 -1.23 -0.06 0.00 -0.36 0.00 0.00 55.97 54.55 1o5p s LYS 20 Cb -0.08 -3.45 -0.03 0.00 -1.51 0.00 0.00 37.83 32.76 1o5p s LYS 20 CO 0.12 -0.69 0.02 0.54 -0.36 0.00 0.00 175.35 174.98 1o5p s VAL 21 N 1.38 4.14 0.34 4.02 0.11 -0.87 -1.71 120.40 127.81 1o5p s VAL 21 Ca -0.01 -0.25 0.09 0.00 -2.93 0.00 0.00 61.98 58.87 1o5p s VAL 21 Cb -0.20 -2.88 -0.05 0.00 -1.53 0.00 0.00 36.38 31.72 1o5p s VAL 21 CO 0.02 0.42 0.07 0.00 -3.33 0.00 0.00 175.10 172.28 1o5p s ALA 22 N 1.02 3.34 -0.20 1.54 0.00 0.33 -2.29 121.76 125.50 1o5p s ALA 22 Ca 0.02 -1.91 -0.05 0.00 0.00 0.00 0.00 51.96 50.03 1o5p s ALA 22 Cb -0.14 -0.53 0.07 0.00 0.00 0.00 0.00 23.12 22.52 1o5p s ALA 22 CO 0.02 0.05 0.11 0.20 0.00 0.00 0.00 175.76 176.14 1o5p s GLY 23 N -3.78 0.36 -0.02 0.00 0.00 0.27 -0.92 107.32 103.24 1o5p s GLY 23 Ca 0.36 -0.46 0.06 0.00 0.00 0.00 0.00 44.72 44.68 1o5p s GLY 23 CO 0.21 1.85 -0.19 0.00 0.00 0.00 0.00 173.10 174.97 1o5p s ALA 24 N 2.14 2.49 0.00 3.20 0.00 -0.44 0.63 121.76 129.79 1o5p s ALA 24 Ca 0.04 -1.07 0.00 0.00 0.00 0.00 0.00 51.96 50.93 1o5p s ALA 24 Cb -0.16 -0.79 0.00 0.00 0.00 0.00 0.00 23.12 22.17 1o5p s ALA 24 CO -0.16 0.55 0.00 0.41 0.00 0.00 0.00 175.76 176.56 1o5p n GLY 25 N 2.19 0.57 3.96 0.00 0.00 -0.89 0.16 105.19 111.18 1o5p n GLY 25 Ca -0.17 -0.81 -0.23 0.00 0.00 0.00 0.00 46.02 44.81 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 3.05 -0.87 0.99 1.43 -0.84 -1.33 118.68 121.12 1o5p s LEU 26 Ca 0.00 0.03 -0.30 0.00 -1.03 0.00 0.00 54.13 52.83 1o5p s LEU 26 Cb 0.00 -2.68 -0.18 0.00 0.03 0.00 0.00 46.19 43.36 1o5p s LEU 26 CO 0.00 -1.51 2.63 0.00 0.23 0.00 0.00 176.35 177.70 1o5p n GLN 27 N -2.68 0.27 -1.21 1.70 3.00 -1.26 -4.06 117.38 113.14 1o5p n GLN 27 Ca 0.10 -0.00 -0.20 0.00 -0.01 0.00 0.00 57.00 56.89 1o5p n GLN 27 Cb 0.60 -2.01 -0.10 0.00 0.00 0.00 0.00 30.24 28.73 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 11.92 0.37 0.00 -1.58 0.00 -1.24 -1.29 120.51 128.69 1o5p n ALA 28 Ca 0.59 -2.14 0.00 0.00 0.00 0.00 0.00 53.44 51.88 1o5p n ALA 28 Cb 0.16 -3.00 0.00 0.00 0.00 0.00 0.00 19.45 16.61 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 5.55 0.38 2.64 0.00 0.00 0.94 -4.82 105.19 109.88 1o5p n GLY 29 Ca 0.36 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.46 -0.14 -0.35 2.61 -4.23 -0.41 -4.88 115.64 107.79 1o5p s THR 30 Ca 0.00 -0.18 -0.35 0.00 -1.18 0.00 0.00 61.69 59.98 1o5p s THR 30 Cb 0.00 -0.61 -0.11 0.00 1.34 0.00 0.00 72.50 73.11 1o5p s THR 30 CO 0.00 -0.29 2.19 0.00 -0.54 0.00 0.00 174.62 175.98 1o5p n ALA 31 N 5.29 1.08 -2.83 3.99 0.00 -1.26 -2.72 120.51 124.05 1o5p n ALA 31 Ca -0.07 -0.05 -0.26 0.00 0.00 0.00 0.00 53.44 53.06 1o5p n ALA 31 Cb 0.49 -2.54 -0.05 0.00 0.00 0.00 0.00 19.45 17.35 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 7.28 3.23 0.35 0.00 2.02 0.17 -4.64 117.35 125.76 1o5p s TYR 32 Ca 1.10 0.02 0.06 0.00 -0.37 0.00 0.00 57.07 57.87 1o5p s TYR 32 Cb -0.86 -1.55 -0.01 0.00 -0.40 0.00 0.00 41.96 39.14 1o5p s TYR 32 CO 0.49 0.52 0.50 0.34 -1.57 0.00 0.00 175.55 175.83 1o5p s ASP 33 N -3.11 5.94 -0.08 2.29 2.15 0.82 -1.08 116.67 123.60 1o5p s ASP 33 Ca 0.32 -0.12 -0.03 0.00 0.43 0.00 0.00 52.55 53.14 1o5p s ASP 33 Cb -0.10 -1.26 0.05 0.00 -0.30 0.00 0.00 42.92 41.30 1o5p s ASP 33 CO 0.25 -0.48 0.16 0.54 -0.17 0.00 0.00 175.17 175.46 1o5p s VAL 34 N -2.24 -0.25 0.18 1.11 0.11 -0.34 -1.74 120.40 117.23 1o5p s VAL 34 Ca 0.46 0.35 -0.22 0.00 -2.93 0.00 0.00 61.98 59.64 1o5p s VAL 34 Cb -0.10 -0.29 0.08 0.00 -1.53 0.00 0.00 36.38 34.54 1o5p s VAL 34 CO 0.32 0.15 1.05 -0.83 -3.33 0.00 0.00 175.10 172.46 1o5p s GLY 35 N 2.24 0.14 -0.40 6.54 0.00 -0.92 -0.56 107.32 114.37 1o5p s GLY 35 Ca 0.03 -0.38 -0.13 0.00 0.00 0.00 0.00 44.72 44.23 1o5p s GLY 35 CO -0.06 2.92 0.26 -0.86 0.00 0.00 0.00 173.10 175.36 1o5p s GLN 36 N -2.06 2.90 0.11 2.90 -2.07 -1.26 -2.60 119.66 117.58 1o5p s GLN 36 Ca 0.23 -1.07 0.06 0.00 -1.82 0.00 0.00 55.36 52.77 1o5p s GLN 36 Cb -0.03 -3.88 -0.04 0.00 -1.09 0.00 0.00 33.01 27.98 1o5p s GLN 36 CO 0.05 -0.74 -0.15 0.00 -1.32 0.00 0.00 175.29 173.13 1o5p s ALA 38 N -1.76 1.36 -0.35 0.00 0.00 -0.76 -1.54 121.76 118.72 1o5p s ALA 38 Ca 0.06 -0.62 -0.18 0.00 0.00 0.00 0.00 51.96 51.22 1o5p s ALA 38 Cb -0.07 -0.44 -0.00 0.00 0.00 0.00 0.00 23.12 22.61 1o5p s ALA 38 CO 0.03 0.26 0.48 -1.58 0.00 0.00 0.00 175.76 174.96 1o5p s TRP 39 N -0.02 3.18 -0.74 0.00 0.51 -1.26 -1.79 118.94 118.83 1o5p s TRP 39 Ca -0.02 0.12 0.16 0.00 -2.12 0.00 0.00 56.10 54.24 1o5p s TRP 39 Cb -0.10 -2.88 0.55 0.00 -0.81 0.00 0.00 33.47 30.23 1o5p s TRP 39 CO 0.01 -0.53 1.47 1.33 -0.51 0.00 0.00 176.95 178.72 1o5p n VAL 40 N 5.40 1.79 -1.44 4.03 0.24 -0.90 -4.73 118.33 122.72 1o5p n VAL 40 Ca -0.06 -1.37 0.00 0.00 -2.04 0.00 0.00 64.34 60.88 1o5p n VAL 40 Cb 0.49 0.09 0.00 0.00 -1.47 0.00 0.00 33.84 32.95 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 0.43 0.00 -4.55 -1.34 8.00 -1.26 -4.95 116.55 112.87 1o5p n ASP 41 Ca 0.21 0.00 -0.35 0.00 0.71 0.00 0.00 54.79 55.36 1o5p n ASP 41 Cb 0.78 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.84 1o5p n ASP 41 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1o5p s THR 42 N -2.44 3.38 0.00 -3.53 -1.32 -1.26 -2.76 115.64 107.71 1o5p s THR 42 Ca 0.00 0.03 0.00 0.00 -1.21 0.00 0.00 61.69 60.51 1o5p s THR 42 Cb 0.00 -3.94 0.00 0.00 -1.51 0.00 0.00 72.50 67.05 1o5p s THR 42 CO 0.00 -0.91 0.00 0.61 -2.21 0.00 0.00 174.62 172.11 1o5p n GLY 43 N 6.05 0.65 3.14 6.08 0.00 -1.26 -5.04 105.19 114.81 1o5p n GLY 43 Ca 0.27 -0.75 -0.35 0.00 0.00 0.00 0.00 46.02 45.19 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 2.96 -0.32 1.61 1.01 -1.11 -4.97 120.40 117.58 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 -2.84 0.07 0.00 0.00 0.00 0.00 36.38 33.61 1o5p s VAL 44 CO 0.00 -0.32 0.02 -0.22 0.00 0.00 0.00 175.10 174.58 1o5p s LEU 45 N 1.18 4.18 -0.42 3.92 2.96 -1.26 -2.11 118.68 127.12 1o5p s LEU 45 Ca 0.00 -1.57 -0.18 0.00 -0.22 0.00 0.00 54.13 52.16 1o5p s LEU 45 Cb -0.21 -1.69 0.02 0.00 0.50 0.00 0.00 46.19 44.82 1o5p s LEU 45 CO -0.03 -0.32 0.47 0.00 -1.32 0.00 0.00 176.35 175.16 1o5p s ALA 46 N 1.15 3.41 -0.01 5.97 0.00 -0.74 -3.57 121.76 127.97 1o5p s ALA 46 Ca -0.01 -1.46 -0.05 0.00 0.00 0.00 0.00 51.96 50.44 1o5p s ALA 46 Cb -0.20 -3.09 -0.04 0.00 0.00 0.00 0.00 23.12 19.78 1o5p s ALA 46 CO -0.03 -1.61 0.22 0.00 0.00 0.00 0.00 175.76 174.33 1o5p s ASN 48 N -1.75 7.08 0.00 0.00 2.20 -0.29 -1.59 114.94 120.59 1o5p s ASN 48 Ca 0.26 1.30 0.00 0.00 -0.94 0.00 0.00 52.86 53.48 1o5p s ASN 48 Cb -0.13 -2.44 0.00 0.00 -2.00 0.00 0.00 41.25 36.68 1o5p s ASN 48 CO 0.16 -0.10 0.86 -0.81 -2.94 0.00 0.00 177.10 174.28 1o5p n PRO 49 N 3.56 0.78 0.00 3.55 -0.04 -1.26 -3.36 135.00 138.23 1o5p n PRO 49 Ca -0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.45 1o5p n PRO 49 Cb 0.51 -1.11 0.00 0.00 -0.04 0.00 0.00 33.50 32.86 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 0.71 2.16 -0.91 0.55 0.00 -1.26 -4.68 120.51 117.08 1o5p n ALA 50 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.07 1o5p n ALA 50 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.84 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 -0.15 0.25 -4.57 0.00 8.00 -1.21 -3.37 116.55 115.49 1o5p n ASP 51 Ca 0.00 -1.15 -0.19 0.00 0.71 0.00 0.00 54.79 54.15 1o5p n ASP 51 Cb 0.02 -0.01 -0.08 0.00 -0.02 0.00 0.00 41.12 41.03 1o5p n ASP 51 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1o5p s PHE 52 N -0.13 1.45 0.00 1.24 0.08 -1.25 -3.79 117.98 115.58 1o5p s PHE 52 Ca 0.00 1.57 0.00 0.00 0.12 0.00 0.00 56.93 58.62 1o5p s PHE 52 Cb 0.00 -3.61 0.00 0.00 -0.57 0.00 0.00 43.02 38.84 1o5p s PHE 52 CO 0.00 -1.16 0.00 0.43 -0.10 0.00 0.00 175.22 174.39 1o5p n SER 53 N 17.40 1.08 0.00 1.36 7.64 0.28 -4.92 113.62 136.46 1o5p n SER 53 Ca 0.43 -0.90 0.00 0.00 1.01 0.00 0.00 58.87 59.41 1o5p n SER 53 Cb 0.46 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.66 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 -1.73 0.00 -3.84 6.43 2.88 -1.26 -1.19 113.62 114.91 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 -0.07 0.00 -0.75 0.00 0.00 64.21 63.39 1o5p n SER 54 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1o5p s VAL 55 N -0.52 0.13 -0.04 2.46 0.11 -0.24 -4.93 120.40 117.37 1o5p s VAL 55 Ca 0.00 -1.09 -0.07 0.00 -2.93 0.00 0.00 61.98 57.89 1o5p s VAL 55 Cb 0.00 -1.27 -0.04 0.00 -1.53 0.00 0.00 36.38 33.54 1o5p s VAL 55 CO 0.00 -0.60 0.23 -0.89 -3.33 0.00 0.00 175.10 170.50 1o5p s THR 56 N -3.68 5.36 -0.36 5.04 2.01 -1.26 0.41 115.64 123.16 1o5p s THR 56 Ca 0.03 0.19 -0.28 0.00 0.31 0.00 0.00 61.69 61.95 1o5p s THR 56 Cb 0.04 -3.52 -0.04 0.00 0.01 0.00 0.00 72.50 68.99 1o5p s THR 56 CO -0.10 0.46 2.02 0.00 -0.69 0.00 0.00 174.62 176.31 1o5p s ALA 57 N -1.20 2.54 0.00 7.40 0.00 -1.10 -4.70 121.76 124.70 1o5p s ALA 57 Ca 0.23 0.25 0.00 0.00 0.00 0.00 0.00 51.96 52.44 1o5p s ALA 57 Cb -0.13 -4.12 0.00 0.00 0.00 0.00 0.00 23.12 18.87 1o5p s ALA 57 CO 0.12 -3.13 0.00 -3.47 0.00 0.00 0.00 175.76 169.28 1o5p n ASP 58 N 11.90 0.00 -0.12 0.00 2.03 -1.26 0.32 116.55 129.41 1o5p n ASP 58 Ca 0.27 0.00 -0.05 0.00 0.52 0.00 0.00 54.79 55.53 1o5p n ASP 58 Cb 0.48 0.00 0.01 0.00 -0.72 0.00 0.00 41.12 40.90 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 0.16 0.00 -1.67 0.00 -1.92 -3.12 119.26 110.71 1o5p h ALA 59 Ca 0.00 0.15 -0.30 0.00 0.00 0.00 0.00 54.91 54.76 1o5p h ALA 59 Cb 0.00 0.42 -0.06 0.00 0.00 0.00 0.00 17.79 18.15 1o5p h ALA 59 CO 0.00 -0.52 -2.13 -1.71 0.00 0.00 0.00 179.25 174.89 1o5p n ASN 60 N -5.36 1.63 0.00 0.00 5.15 -1.26 -4.55 115.26 110.87 1o5p n ASN 60 Ca 0.02 -0.05 0.00 0.00 -0.60 0.00 0.00 54.58 53.96 1o5p n ASN 60 Cb 0.27 0.37 0.00 0.00 -0.53 0.00 0.00 39.78 39.89 1o5p n ASN 60 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1o5p n GLY 61 N 2.23 0.72 3.54 8.20 0.00 -1.18 -1.98 105.19 116.71 1o5p n GLY 61 Ca -0.30 -0.74 -0.36 0.00 0.00 0.00 0.00 46.02 44.62 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 -1.13 5.41 -0.21 1.61 0.01 -1.21 -2.08 113.70 116.09 1o5p s SER 62 Ca 0.00 -0.07 -0.02 0.00 1.31 0.00 0.00 55.95 57.17 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 0.06 0.03 0.00 0.41 0.00 0.00 173.24 173.73 1o5p s ALA 63 N 1.07 1.21 -0.20 1.44 0.00 0.21 -4.64 121.76 120.84 1o5p s ALA 63 Ca 0.04 -0.89 0.00 0.00 0.00 0.00 0.00 51.96 51.12 1o5p s ALA 63 Cb -0.14 -1.26 0.02 0.00 0.00 0.00 0.00 23.12 21.74 1o5p s ALA 63 CO 0.03 -1.22 -0.16 -1.12 0.00 0.00 0.00 175.76 173.30 1o5p s SER 64 N 1.76 3.52 -0.06 0.00 0.01 -1.26 0.97 113.70 118.63 1o5p s SER 64 Ca -0.01 -0.69 -0.06 0.00 1.31 0.00 0.00 55.95 56.50 1o5p s SER 64 Cb -0.17 -1.54 0.02 0.00 0.21 0.00 0.00 66.02 64.53 1o5p s SER 64 CO -0.09 -0.03 0.17 0.28 0.41 0.00 0.00 173.24 173.98 1o5p s THR 65 N 1.31 0.00 -0.13 1.44 -1.32 -0.97 -4.99 115.64 110.98 1o5p s THR 65 Ca 0.04 -0.02 -0.09 0.00 -1.21 0.00 0.00 61.69 60.40 1o5p s THR 65 Cb -0.14 -0.26 -0.05 0.00 -1.51 0.00 0.00 72.50 70.55 1o5p s THR 65 CO -0.10 -0.01 0.18 -0.94 -2.21 0.00 0.00 174.62 171.54 1o5p s SER 66 N 0.05 6.39 0.32 8.08 1.04 -1.26 -2.06 113.70 126.26 1o5p s SER 66 Ca -0.00 0.46 0.03 0.00 0.48 0.00 0.00 55.95 56.92 1o5p s SER 66 Cb -0.01 -2.11 -0.04 0.00 0.10 0.00 0.00 66.02 63.96 1o5p s SER 66 CO 0.00 0.30 0.13 -0.76 0.98 0.00 0.00 173.24 173.89 1o5p s LEU 67 N -0.47 1.80 -0.24 2.42 1.02 0.40 -4.92 118.68 118.70 1o5p s LEU 67 Ca 0.14 -1.53 -0.10 0.00 0.02 0.00 0.00 54.13 52.66 1o5p s LEU 67 Cb -0.12 0.03 -0.05 0.00 0.02 0.00 0.00 46.19 46.07 1o5p s LEU 67 CO 0.03 -0.83 0.16 0.42 0.02 0.00 0.00 176.35 176.15 1o5p s THR 68 N -3.51 5.33 0.01 5.49 -4.23 -1.22 0.50 115.64 118.02 1o5p s THR 68 Ca 0.34 0.17 0.03 0.00 -1.18 0.00 0.00 61.69 61.05 1o5p s THR 68 Cb 0.05 -3.48 -0.01 0.00 1.34 0.00 0.00 72.50 70.40 1o5p s THR 68 CO 0.16 0.35 -0.11 0.68 -0.54 0.00 0.00 174.62 175.16 1o5p s VAL 69 N 1.06 0.83 0.02 2.29 -7.23 -0.88 -4.42 120.40 112.07 1o5p s VAL 69 Ca 0.07 -0.61 -0.00 0.00 -1.81 0.00 0.00 61.98 59.64 1o5p s VAL 69 Cb -0.14 -0.73 0.00 0.00 0.56 0.00 0.00 36.38 36.08 1o5p s VAL 69 CO 0.04 0.12 0.02 -2.11 -0.31 0.00 0.00 175.10 172.87 1o5p n ARG 70 N 2.51 0.03 0.00 4.82 1.85 -1.26 -4.08 116.66 120.54 1o5p n ARG 70 Ca -0.15 -0.14 0.00 0.00 -1.00 0.00 0.00 57.85 56.55 1o5p n ARG 70 Cb 0.56 0.14 0.00 0.00 -1.05 0.00 0.00 32.46 32.11 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 -0.03 0.00 -1.72 2.89 1.85 -1.26 -4.69 116.66 113.70 1o5p n ARG 71 Ca 0.00 0.00 -0.43 0.00 -1.00 0.00 0.00 57.85 56.42 1o5p n ARG 71 Cb 0.03 0.00 -0.02 0.00 -1.05 0.00 0.00 32.46 31.42 1o5p n ARG 71 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 1o5p n SER 72 N 0.00 3.51 -3.64 2.89 7.64 -1.26 -2.05 113.62 120.72 1o5p n SER 72 Ca 0.00 1.14 -0.12 0.00 1.01 0.00 0.00 58.87 60.91 1o5p n SER 72 Cb 0.00 -1.54 -0.05 0.00 -1.01 0.00 0.00 64.21 61.61 1o5p n SER 72 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 1o5p s PHE 73 N -0.02 -0.26 -0.16 1.43 -0.12 -0.77 -4.84 117.98 113.24 1o5p s PHE 73 Ca 0.65 0.12 -0.36 0.00 -0.05 0.00 0.00 56.93 57.29 1o5p s PHE 73 Cb -0.54 0.25 -0.13 0.00 -0.63 0.00 0.00 43.02 41.97 1o5p s PHE 73 CO 0.49 -0.63 1.87 0.39 -0.05 0.00 0.00 175.22 177.28 1o5p n GLU 74 N 0.19 1.86 -1.69 1.99 -0.58 -1.26 -0.02 120.64 121.13 1o5p n GLU 74 Ca -0.17 0.68 -0.32 0.00 -0.42 0.00 0.00 57.16 56.92 1o5p n GLU 74 Cb 0.61 -2.51 -0.04 0.00 -0.57 0.00 0.00 31.44 28.94 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 4.49 4.68 3.55 0.62 0.00 -0.57 -2.95 105.19 115.00 1o5p n GLY 75 Ca 0.25 -1.95 -0.64 0.00 0.00 0.00 0.00 46.02 43.68 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 1.23 1.53 -3.06 1.61 3.01 -0.62 -2.27 117.46 118.89 1o5p n PHE 76 Ca 0.54 0.97 -0.40 0.00 1.01 0.00 0.00 57.45 59.58 1o5p n PHE 76 Cb 0.43 -2.26 -0.05 0.00 -0.01 0.00 0.00 39.48 37.59 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 4.26 4.23 -0.29 4.37 2.96 -0.68 -1.70 118.68 131.84 1o5p s LEU 77 Ca 1.11 1.04 -0.02 0.00 -0.22 0.00 0.00 54.13 56.04 1o5p s LEU 77 Cb -1.48 -3.02 -0.02 0.00 0.50 0.00 0.00 46.19 42.17 1o5p s LEU 77 CO 0.75 -0.20 1.37 0.33 -1.32 0.00 0.00 176.35 177.27 1o5p n PHE 78 N 4.42 0.42 -1.98 5.38 7.35 -1.23 -2.90 117.46 128.91 1o5p n PHE 78 Ca -0.01 -0.93 0.00 0.00 -0.76 0.00 0.00 57.45 55.76 1o5p n PHE 78 Cb 0.50 -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 4.41 0.00 0.00 -2.13 2.03 -1.26 -4.98 116.55 114.62 1o5p n ASP 79 Ca 0.15 -0.98 0.00 0.00 0.52 0.00 0.00 54.79 54.48 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 3.95 0.27 0.00 -1.14 -4.99 105.19 106.05 1o5p n GLY 80 Ca 0.00 0.00 -0.23 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 -1.05 4.54 -0.10 2.61 -4.23 -1.26 -4.96 115.64 111.20 1o5p s THR 81 Ca 0.00 -0.57 -0.02 0.00 -1.18 0.00 0.00 61.69 59.92 1o5p s THR 81 Cb 0.00 -3.65 -0.03 0.00 1.34 0.00 0.00 72.50 70.16 1o5p s THR 81 CO 0.00 -0.41 -0.02 0.00 -0.54 0.00 0.00 174.62 173.65 1o5p s ARG 82 N -4.38 3.06 0.31 3.99 1.70 -1.26 -1.68 118.95 120.69 1o5p s ARG 82 Ca 0.44 -0.46 0.24 0.00 -0.47 0.00 0.00 55.73 55.47 1o5p s ARG 82 Cb -0.10 -2.77 0.33 0.00 -0.57 0.00 0.00 34.95 31.84 1o5p s ARG 82 CO 0.36 0.60 1.47 2.35 -1.08 0.00 0.00 175.30 179.00 1o5p h TRP 83 N 5.49 0.00 0.00 5.89 7.01 -1.78 -3.46 115.95 129.11 1o5p h TRP 83 Ca -0.47 0.00 0.00 0.00 2.11 0.00 0.00 58.89 60.53 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 0.59 0.00 0.00 0.41 -2.79 0.00 0.00 178.44 176.65 1o5p n GLY 84 N 1.18 1.38 3.58 2.65 0.00 -1.26 -4.90 105.19 107.82 1o5p n GLY 84 Ca 0.03 -2.17 -0.41 0.00 0.00 0.00 0.00 46.02 43.48 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 -1.50 3.20 -0.60 2.61 -4.23 -1.26 -1.52 115.64 112.34 1o5p s THR 85 Ca 0.00 0.18 -0.28 0.00 -1.18 0.00 0.00 61.69 60.41 1o5p s THR 85 Cb 0.00 -3.34 0.02 0.00 1.34 0.00 0.00 72.50 70.52 1o5p s THR 85 CO 0.00 -0.26 1.32 -0.69 -0.54 0.00 0.00 174.62 174.44 1o5p s VAL 86 N 8.91 3.85 -0.32 2.29 1.01 0.97 -4.63 120.40 132.47 1o5p s VAL 86 Ca 0.89 0.70 -0.28 0.00 0.00 0.00 0.00 61.98 63.29 1o5p s VAL 86 Cb -0.23 -4.63 -0.04 0.00 0.00 0.00 0.00 36.38 31.48 1o5p s VAL 86 CO 0.30 -1.36 2.11 -1.81 0.00 0.00 0.00 175.10 174.34 1o5p s ASP 87 N 3.84 5.41 0.00 3.32 1.01 -1.26 -1.86 116.67 127.13 1o5p s ASP 87 Ca 0.46 1.50 0.02 0.00 0.71 0.00 0.00 52.55 55.24 1o5p s ASP 87 Cb -0.09 -2.51 0.12 0.00 1.01 0.00 0.00 42.92 41.44 1o5p s ASP 87 CO 0.23 -2.06 0.81 0.00 0.21 0.00 0.00 175.17 174.37 1o5p n THR 89 N -1.21 0.39 -0.00 0.00 -2.24 -1.26 -4.22 114.28 105.73 1o5p n THR 89 Ca 0.01 -0.47 -0.01 0.00 -2.27 0.00 0.00 64.05 61.31 1o5p n THR 89 Cb 0.01 0.37 -0.00 0.00 -2.10 0.00 0.00 70.33 68.61 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 0.58 0.05 -3.57 4.28 -2.24 -0.18 -5.08 114.28 108.12 1o5p n THR 90 Ca 0.15 -0.01 -0.21 0.00 -2.27 0.00 0.00 64.05 61.71 1o5p n THR 90 Cb 0.36 -1.29 0.02 0.00 -2.10 0.00 0.00 70.33 67.31 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 -2.93 0.84 -2.71 6.98 0.00 -1.21 -5.09 120.51 116.40 1o5p n ALA 91 Ca -0.02 -1.88 -0.41 0.00 0.00 0.00 0.00 53.44 51.14 1o5p n ALA 91 Cb 0.51 0.69 -0.11 0.00 0.00 0.00 0.00 19.45 20.55 1o5p n ALA 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1o5p s ALA 92 N -2.66 3.35 -0.26 0.00 0.00 -1.26 -4.78 121.76 116.15 1o5p s ALA 92 Ca 0.35 -1.60 -0.13 0.00 0.00 0.00 0.00 51.96 50.58 1o5p s ALA 92 Cb -0.03 -2.63 -0.04 0.00 0.00 0.00 0.00 23.12 20.42 1o5p s ALA 92 CO 0.22 -1.24 0.30 0.00 0.00 0.00 0.00 175.76 175.04 1o5p s GLN 94 N 1.80 3.15 -0.39 0.00 -0.21 -0.59 -2.50 119.66 120.92 1o5p s GLN 94 Ca 0.12 -0.50 -0.12 0.00 0.02 0.00 0.00 55.36 54.88 1o5p s GLN 94 Cb -0.15 -2.90 0.03 0.00 1.00 0.00 0.00 33.01 30.99 1o5p s GLN 94 CO 0.09 0.63 0.25 0.08 -2.12 0.00 0.00 175.29 174.22 1o5p s VAL 95 N -1.31 4.80 0.00 1.09 1.01 0.13 -2.26 120.40 123.86 1o5p s VAL 95 Ca 0.27 -0.83 0.00 0.00 0.00 0.00 0.00 61.98 61.42 1o5p s VAL 95 Cb -0.12 -3.70 0.00 0.00 0.00 0.00 0.00 36.38 32.56 1o5p s VAL 95 CO 0.19 -0.29 0.00 0.61 0.00 0.00 0.00 175.10 175.61 1o5p n GLY 96 N 5.05 2.88 3.71 4.51 0.00 -1.07 0.33 105.19 120.60 1o5p n GLY 96 Ca -0.11 -1.26 -0.31 0.00 0.00 0.00 0.00 46.02 44.33 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 -1.23 -2.16 118.68 119.65 1o5p s LEU 97 Ca 0.00 -1.60 0.00 0.00 0.02 0.00 0.00 54.13 52.55 1o5p s LEU 97 Cb 0.00 -0.69 0.00 0.00 0.02 0.00 0.00 46.19 45.52 1o5p s LEU 97 CO 0.00 -0.79 0.00 -0.24 0.02 0.00 0.00 176.35 175.34 1o5p n SER 98 N -1.21 0.00 0.00 2.29 2.88 -0.71 -4.21 113.62 112.66 1o5p n SER 98 Ca -0.15 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.39 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 0.30 -1.60 -3.46 5.75 -1.24 0.29 116.55 116.58 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 0.10 0.00 -1.03 0.00 0.00 41.12 40.19 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 -4.61 120.51 118.44 1o5p n ALA 100 Ca 0.00 -3.56 -0.05 0.00 0.00 0.00 0.00 53.44 49.83 1o5p n ALA 100 Cb 0.00 -0.52 -0.06 0.00 0.00 0.00 0.00 19.45 18.87 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 1.79 0.00 0.00 0.00 -1.26 -5.01 120.51 115.15 1o5p n ALA 101 Ca 0.38 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1o5p n ALA 101 Cb 0.89 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 2.62 0.97 2.75 0.00 0.00 -1.26 -5.14 105.19 105.13 1o5p n GLY 102 Ca -0.15 -0.07 -0.03 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.34 -0.14 1.61 5.03 -1.26 -5.01 115.26 114.15 1o5p n ASN 103 Ca 0.00 -1.77 0.00 0.00 0.87 0.00 0.00 54.58 53.68 1o5p n ASN 103 Cb 0.00 2.20 0.00 0.00 -1.02 0.00 0.00 39.78 40.96 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 -0.49 1.70 3.07 7.41 0.00 -1.26 -3.72 105.19 111.89 1o5p n GLY 104 Ca -0.03 -0.70 -0.29 0.00 0.00 0.00 0.00 46.02 45.00 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 -0.96 -1.55 1.61 -0.02 -1.26 -4.89 135.00 127.94 1o5p n PRO 105 Ca 0.00 -0.28 -0.11 0.00 -2.02 0.00 0.00 63.50 61.10 1o5p n PRO 105 Cb 0.00 -1.32 0.05 0.00 -0.02 0.00 0.00 33.50 32.22 1o5p n PRO 105 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 1o5p n GLU 106 N 0.15 0.31 -4.53 -0.52 0.28 -1.26 -4.54 120.64 110.53 1o5p n GLU 106 Ca 0.00 -1.27 -0.25 0.00 -0.16 0.00 0.00 57.16 55.48 1o5p n GLU 106 Cb 0.56 -0.30 -0.11 0.00 1.43 0.00 0.00 31.44 33.03 1o5p n GLU 106 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 1o5p s GLY 107 N -3.62 2.19 -0.18 -1.84 0.00 -1.26 -3.54 107.32 99.08 1o5p s GLY 107 Ca 0.31 -2.10 -0.08 0.00 0.00 0.00 0.00 44.72 42.84 1o5p s GLY 107 CO 0.20 -2.00 0.09 0.14 0.00 0.00 0.00 173.10 171.53 1o5p s VAL 108 N -2.74 5.08 -0.06 1.40 1.01 0.15 -4.72 120.40 120.52 1o5p s VAL 108 Ca 0.33 0.07 -0.30 0.00 0.00 0.00 0.00 61.98 62.08 1o5p s VAL 108 Cb 0.05 -3.29 -0.04 0.00 0.00 0.00 0.00 36.38 33.10 1o5p s VAL 108 CO 0.16 0.47 1.30 0.00 0.00 0.00 0.00 175.10 177.03 1o5p s ALA 109 N 0.20 3.56 0.49 5.51 0.00 -1.26 0.19 121.76 130.46 1o5p s ALA 109 Ca 0.06 0.67 0.06 0.00 0.00 0.00 0.00 51.96 52.76 1o5p s ALA 109 Cb -0.12 -3.57 0.03 0.00 0.00 0.00 0.00 23.12 19.46 1o5p s ALA 109 CO -0.00 -0.93 0.68 0.96 0.00 0.00 0.00 175.76 176.46 1o5p s ILE 110 N 2.65 2.74 0.06 0.00 -4.36 -1.04 -4.85 121.20 116.41 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 -0.26 -2.84 -0.04 0.00 1.25 0.00 0.00 42.46 40.57 1o5p s ILE 110 CO 0.22 0.00 -0.05 -0.55 0.24 0.00 0.00 174.94 174.80 1o5p s SER 111 N -4.44 0.72 -0.33 4.36 0.15 0.20 -4.75 113.70 109.61 1o5p s SER 111 Ca 0.57 -0.90 0.00 0.00 0.70 0.00 0.00 55.95 56.33 1o5p s SER 111 Cb -0.09 0.14 0.10 0.00 -1.71 0.00 0.00 66.02 64.46 1o5p s SER 111 CO 0.36 -0.48 0.11 -0.36 1.20 0.00 0.00 173.24 174.07 1o5p s PHE 112 N -3.26 2.07 -2.22 3.44 0.40 -1.26 -2.86 117.98 114.29 1o5p s PHE 112 Ca 0.04 -2.03 0.30 0.00 -0.60 0.00 0.00 56.93 54.64 1o5p s PHE 112 Cb 0.03 -1.93 1.53 0.00 0.51 0.00 0.00 43.02 43.16 1o5p s PHE 112 CO -0.06 -0.88 2.02 0.27 0.70 0.00 0.00 175.22 177.27