#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 1.15 0.83 0.00 0.00 -1.26 -4.54 121.76 117.93 1o5p s ALA 2 Ca 0.00 -0.41 -0.13 0.00 0.00 0.00 0.00 51.96 51.42 1o5p s ALA 2 Cb 0.00 -3.09 0.10 0.00 0.00 0.00 0.00 23.12 20.13 1o5p s ALA 2 CO 0.00 -2.71 1.20 -2.14 0.00 0.00 0.00 175.76 172.11 1o5p s PRO 3 N -5.05 1.48 0.00 0.00 0.02 -0.62 -4.20 135.00 126.63 1o5p s PRO 3 Ca 0.65 1.73 0.00 0.00 0.02 0.00 0.00 61.00 63.40 1o5p s PRO 3 Cb -0.18 -1.76 0.00 0.00 0.02 0.00 0.00 34.50 32.58 1o5p s PRO 3 CO 0.56 -2.33 0.00 -2.37 -0.33 0.00 0.00 177.00 172.54 1o5p n THR 4 N -3.50 0.00 -3.64 0.99 5.66 0.47 -4.87 114.28 109.40 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 -2.03 -0.44 1.79 0.00 -1.26 -1.31 121.76 117.51 1o5p s ALA 5 Ca 0.00 2.22 -0.11 0.00 0.00 0.00 0.00 51.96 54.07 1o5p s ALA 5 Cb 0.00 -1.51 0.08 0.00 0.00 0.00 0.00 23.12 21.69 1o5p s ALA 5 CO 0.00 -0.34 0.31 0.95 0.00 0.00 0.00 175.76 176.68 1o5p s THR 6 N 1.18 4.55 -0.18 0.00 -4.23 -0.04 -4.78 115.64 112.14 1o5p s THR 6 Ca -0.07 -1.34 0.01 0.00 -1.18 0.00 0.00 61.69 59.12 1o5p s THR 6 Cb -0.04 -3.78 0.02 0.00 1.34 0.00 0.00 72.50 70.03 1o5p s THR 6 CO -0.14 -0.56 -0.20 -0.69 -0.54 0.00 0.00 174.62 172.50 1o5p s VAL 7 N 1.49 2.05 -0.13 2.29 1.01 -1.24 0.13 120.40 125.99 1o5p s VAL 7 Ca 0.03 -0.95 -0.30 0.00 0.00 0.00 0.00 61.98 60.77 1o5p s VAL 7 Cb -0.24 -1.86 0.11 0.00 0.00 0.00 0.00 36.38 34.40 1o5p s VAL 7 CO 0.03 0.52 0.92 -0.89 0.00 0.00 0.00 175.10 175.69 1o5p s THR 8 N 1.29 0.00 0.50 3.92 2.01 -0.63 -4.42 115.64 118.32 1o5p s THR 8 Ca 0.05 0.00 -0.19 0.00 0.31 0.00 0.00 61.69 61.86 1o5p s THR 8 Cb -0.13 -1.00 -0.08 0.00 0.01 0.00 0.00 72.50 71.30 1o5p s THR 8 CO -0.13 0.00 1.01 -2.16 -0.69 0.00 0.00 174.62 172.66 1o5p s PRO 9 N -1.11 3.82 0.05 4.92 0.05 -1.26 -0.99 135.00 140.48 1o5p s PRO 9 Ca -0.04 1.22 0.19 0.00 0.05 0.00 0.00 61.00 62.42 1o5p s PRO 9 Cb -0.00 -2.11 -0.15 0.00 0.05 0.00 0.00 34.50 32.29 1o5p s PRO 9 CO 0.04 -0.40 0.73 -1.13 0.05 0.00 0.00 177.00 176.29 1o5p n SER 10 N -1.20 0.59 -4.19 6.66 3.41 -1.26 -4.79 113.62 112.84 1o5p n SER 10 Ca 0.08 0.25 -0.13 0.00 -0.26 0.00 0.00 58.87 58.81 1o5p n SER 10 Cb 0.53 0.70 -0.10 0.00 -0.26 0.00 0.00 64.21 65.08 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 1.39 0.00 4.04 0.01 -1.26 0.53 113.70 113.03 1o5p s SER 11 Ca -0.04 -0.93 0.00 0.00 1.31 0.00 0.00 55.95 56.29 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 0.83 -0.36 0.00 0.61 0.41 0.00 0.00 173.24 174.73 1o5p n GLY 12 N 0.16 0.76 0.13 3.44 0.00 -1.13 -4.90 105.19 103.65 1o5p n GLY 12 Ca -0.13 -0.74 -0.22 0.00 0.00 0.00 0.00 46.02 44.93 1o5p n GLY 12 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1o5p n LEU 13 N -0.32 2.36 -1.32 0.99 4.77 -1.26 -5.08 117.00 117.14 1o5p n LEU 13 Ca 0.00 0.25 0.00 0.00 -0.03 0.00 0.00 56.01 56.23 1o5p n LEU 13 Cb 0.49 -1.01 0.00 0.00 -2.33 0.00 0.00 43.42 40.57 1o5p n LEU 13 CO 0.00 0.65 -0.40 -0.24 -1.33 0.00 0.00 177.39 176.07 1o5p n SER 14 N -3.85 -7.16 -4.49 -1.43 2.88 -1.26 -3.77 113.62 94.55 1o5p n SER 14 Ca -0.37 1.41 -0.44 0.00 -1.33 0.00 0.00 58.87 58.14 1o5p n SER 14 Cb 0.91 -4.01 -0.07 0.00 -0.75 0.00 0.00 64.21 60.28 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 -1.97 1.83 0.00 -3.46 5.75 -1.26 -2.18 116.55 115.26 1o5p n ASP 15 Ca 0.00 0.07 0.00 0.00 -0.01 0.00 0.00 54.79 54.85 1o5p n ASP 15 Cb 0.28 -1.30 0.00 0.00 -1.03 0.00 0.00 41.12 39.07 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 6.35 0.80 2.36 6.12 0.00 -1.26 -5.05 105.19 114.51 1o5p n GLY 16 Ca 0.45 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.32 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 0.00 0.00 -4.71 2.61 5.66 -0.93 -4.98 114.28 111.93 1o5p n THR 17 Ca 0.00 -1.29 -0.24 0.00 -3.05 0.00 0.00 64.05 59.48 1o5p n THR 17 Cb 0.00 -0.39 -0.15 0.00 -1.55 0.00 0.00 70.33 68.24 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 -1.51 1.22 0.18 1.08 1.01 -1.26 -2.12 120.40 119.01 1o5p s VAL 18 Ca 0.26 -0.64 0.09 0.00 0.00 0.00 0.00 61.98 61.69 1o5p s VAL 18 Cb -0.02 -1.03 -0.04 0.00 0.00 0.00 0.00 36.38 35.28 1o5p s VAL 18 CO 0.16 0.35 -0.09 0.68 0.00 0.00 0.00 175.10 176.20 1o5p s VAL 19 N -0.18 3.19 -0.37 2.92 -7.23 0.16 -4.74 120.40 114.15 1o5p s VAL 19 Ca 0.02 -1.67 -0.09 0.00 -1.81 0.00 0.00 61.98 58.43 1o5p s VAL 19 Cb -0.08 -2.59 0.04 0.00 0.56 0.00 0.00 36.38 34.32 1o5p s VAL 19 CO 0.00 -0.12 0.17 -0.75 -0.31 0.00 0.00 175.10 174.10 1o5p s LYS 20 N -2.87 2.68 -0.22 4.82 2.20 -0.16 -1.03 119.74 125.17 1o5p s LYS 20 Ca 0.25 -1.21 -0.06 0.00 -0.36 0.00 0.00 55.97 54.60 1o5p s LYS 20 Cb -0.09 -3.63 -0.03 0.00 -1.51 0.00 0.00 37.83 32.58 1o5p s LYS 20 CO 0.15 -0.74 0.02 0.54 -0.36 0.00 0.00 175.35 174.97 1o5p s VAL 21 N 1.46 4.10 0.35 4.02 0.11 -0.88 -1.60 120.40 127.95 1o5p s VAL 21 Ca 0.01 -0.26 0.09 0.00 -2.93 0.00 0.00 61.98 58.89 1o5p s VAL 21 Cb -0.20 -2.87 -0.06 0.00 -1.53 0.00 0.00 36.38 31.72 1o5p s VAL 21 CO 0.04 0.40 0.00 0.00 -3.33 0.00 0.00 175.10 172.22 1o5p s ALA 22 N 1.17 3.18 -0.20 1.54 0.00 0.34 -2.29 121.76 125.50 1o5p s ALA 22 Ca 0.03 -2.00 -0.05 0.00 0.00 0.00 0.00 51.96 49.94 1o5p s ALA 22 Cb -0.14 -0.30 0.07 0.00 0.00 0.00 0.00 23.12 22.75 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 -3.71 0.35 0.02 0.00 0.00 0.26 -0.86 107.32 103.39 1o5p s GLY 23 Ca 0.35 -0.44 0.07 0.00 0.00 0.00 0.00 44.72 44.69 1o5p s GLY 23 CO 0.19 1.85 -0.18 0.00 0.00 0.00 0.00 173.10 174.96 1o5p s ALA 24 N 2.15 2.56 0.00 3.20 0.00 -0.43 0.61 121.76 129.84 1o5p s ALA 24 Ca 0.04 -1.15 0.00 0.00 0.00 0.00 0.00 51.96 50.85 1o5p s ALA 24 Cb -0.16 -0.76 0.00 0.00 0.00 0.00 0.00 23.12 22.21 1o5p s ALA 24 CO -0.16 0.57 0.00 0.41 0.00 0.00 0.00 175.76 176.58 1o5p n GLY 25 N 1.76 0.41 3.97 0.00 0.00 -0.80 0.18 105.19 110.71 1o5p n GLY 25 Ca -0.16 -0.92 -0.22 0.00 0.00 0.00 0.00 46.02 44.71 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 3.13 -0.89 0.99 1.43 -0.91 -1.59 118.68 120.84 1o5p s LEU 26 Ca 0.00 -0.06 -0.29 0.00 -1.03 0.00 0.00 54.13 52.75 1o5p s LEU 26 Cb 0.00 -2.64 -0.19 0.00 0.03 0.00 0.00 46.19 43.39 1o5p s LEU 26 CO 0.00 -1.41 2.62 0.00 0.23 0.00 0.00 176.35 177.79 1o5p n GLN 27 N -2.55 0.23 -1.19 1.70 3.00 -1.26 -4.07 117.38 113.24 1o5p n GLN 27 Ca 0.10 -0.01 -0.20 0.00 -0.01 0.00 0.00 57.00 56.88 1o5p n GLN 27 Cb 0.60 -1.94 -0.10 0.00 0.00 0.00 0.00 30.24 28.81 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 11.62 0.38 0.00 -1.58 0.00 -1.24 -1.30 120.51 128.41 1o5p n ALA 28 Ca 0.60 -2.12 0.00 0.00 0.00 0.00 0.00 53.44 51.92 1o5p n ALA 28 Cb 0.15 -2.95 0.00 0.00 0.00 0.00 0.00 19.45 16.65 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 5.50 0.34 2.68 0.00 0.00 0.91 -4.82 105.19 109.81 1o5p n GLY 29 Ca 0.36 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.15 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 -0.40 -0.18 -0.20 2.61 -1.32 -0.42 -4.88 115.64 110.85 1o5p s THR 30 Ca 0.00 -0.07 -0.38 0.00 -1.21 0.00 0.00 61.69 60.03 1o5p s THR 30 Cb 0.00 -0.56 -0.14 0.00 -1.51 0.00 0.00 72.50 70.29 1o5p s THR 30 CO 0.00 -0.19 1.79 0.00 -2.21 0.00 0.00 174.62 174.00 1o5p n ALA 31 N 5.30 0.20 -2.56 11.08 0.00 -1.26 -2.67 120.51 130.59 1o5p n ALA 31 Ca -0.06 0.35 -0.28 0.00 0.00 0.00 0.00 53.44 53.45 1o5p n ALA 31 Cb 0.49 -2.32 -0.10 0.00 0.00 0.00 0.00 19.45 17.52 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 3.66 2.65 0.14 0.00 2.02 0.11 -4.67 117.35 121.26 1o5p s TYR 32 Ca 0.96 -0.21 0.02 0.00 -0.37 0.00 0.00 57.07 57.47 1o5p s TYR 32 Cb -0.93 -1.33 -0.04 0.00 -0.40 0.00 0.00 41.96 39.27 1o5p s TYR 32 CO 0.60 0.48 0.26 -0.51 -1.57 0.00 0.00 175.55 174.80 1o5p s ASP 33 N -2.60 6.24 -0.11 2.29 1.11 0.77 -1.83 116.67 122.54 1o5p s ASP 33 Ca 0.23 0.15 -0.03 0.00 0.18 0.00 0.00 52.55 53.09 1o5p s ASP 33 Cb -0.10 -1.86 0.04 0.00 1.07 0.00 0.00 42.92 42.08 1o5p s ASP 33 CO 0.14 0.07 0.04 0.54 1.18 0.00 0.00 175.17 177.15 1o5p s VAL 34 N -1.71 0.18 0.21 -1.27 0.11 -0.93 -1.16 120.40 115.83 1o5p s VAL 34 Ca 0.34 -0.02 -0.12 0.00 -2.93 0.00 0.00 61.98 59.24 1o5p s VAL 34 Cb -0.11 -0.56 0.05 0.00 -1.53 0.00 0.00 36.38 34.22 1o5p s VAL 34 CO 0.28 0.01 0.62 0.61 -3.33 0.00 0.00 175.10 173.29 1o5p n GLY 35 N 5.19 1.08 3.43 6.54 0.00 -0.91 -0.29 105.19 120.23 1o5p n GLY 35 Ca -0.07 -1.14 -0.42 0.00 0.00 0.00 0.00 46.02 44.40 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 -2.05 2.93 0.07 1.61 -2.07 -1.26 -2.59 119.66 116.29 1o5p s GLN 36 Ca 0.13 -1.05 0.06 0.00 -1.82 0.00 0.00 55.36 52.68 1o5p s GLN 36 Cb -0.03 -3.92 -0.03 0.00 -1.09 0.00 0.00 33.01 27.94 1o5p s GLN 36 CO 0.06 -0.75 -0.15 0.00 -1.32 0.00 0.00 175.29 173.13 1o5p s ALA 38 N -1.19 1.88 -0.35 0.00 0.00 -0.64 -1.69 121.76 119.76 1o5p s ALA 38 Ca -0.00 -0.93 -0.17 0.00 0.00 0.00 0.00 51.96 50.86 1o5p s ALA 38 Cb -0.10 -0.54 -0.01 0.00 0.00 0.00 0.00 23.12 22.48 1o5p s ALA 38 CO 0.02 0.41 0.44 -1.58 0.00 0.00 0.00 175.76 175.05 1o5p s TRP 39 N -0.31 3.19 -0.90 0.00 0.51 -1.26 -1.59 118.94 118.59 1o5p s TRP 39 Ca 0.03 0.05 0.16 0.00 -2.12 0.00 0.00 56.10 54.22 1o5p s TRP 39 Cb -0.11 -2.80 0.59 0.00 -0.81 0.00 0.00 33.47 30.34 1o5p s TRP 39 CO 0.01 -0.50 1.50 1.33 -0.51 0.00 0.00 176.95 178.79 1o5p n VAL 40 N 5.34 1.73 -1.47 4.03 0.24 -0.89 -4.74 118.33 122.56 1o5p n VAL 40 Ca -0.07 -1.29 0.00 0.00 -2.04 0.00 0.00 64.34 60.94 1o5p n VAL 40 Cb 0.49 0.14 0.00 0.00 -1.47 0.00 0.00 33.84 33.00 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 0.66 0.00 -4.55 -1.34 8.00 -1.26 -4.95 116.55 113.10 1o5p n ASP 41 Ca 0.22 0.00 -0.37 0.00 0.71 0.00 0.00 54.79 55.35 1o5p n ASP 41 Cb 0.78 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.85 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 -2.45 3.41 0.00 -3.53 -1.32 -1.26 -2.81 115.64 107.68 1o5p s THR 42 Ca 0.00 0.11 0.00 0.00 -1.21 0.00 0.00 61.69 60.59 1o5p s THR 42 Cb 0.00 -4.06 0.00 0.00 -1.51 0.00 0.00 72.50 66.93 1o5p s THR 42 CO 0.00 -1.02 0.00 0.61 -2.21 0.00 0.00 174.62 172.00 1o5p n GLY 43 N 5.88 0.68 3.11 6.08 0.00 -1.26 -5.04 105.19 114.64 1o5p n GLY 43 Ca 0.22 -0.73 -0.34 0.00 0.00 0.00 0.00 46.02 45.17 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 2.74 -0.33 1.61 1.01 -1.12 -5.01 120.40 117.29 1o5p s VAL 44 Ca 0.00 -1.74 0.01 0.00 0.00 0.00 0.00 61.98 60.24 1o5p s VAL 44 Cb 0.00 -2.72 0.08 0.00 0.00 0.00 0.00 36.38 33.74 1o5p s VAL 44 CO 0.00 -0.29 0.04 -0.22 0.00 0.00 0.00 175.10 174.63 1o5p s LEU 45 N 1.13 4.38 -0.42 3.92 2.96 -1.26 -2.10 118.68 127.29 1o5p s LEU 45 Ca -0.01 -1.74 -0.16 0.00 -0.22 0.00 0.00 54.13 52.00 1o5p s LEU 45 Cb -0.20 -1.68 0.03 0.00 0.50 0.00 0.00 46.19 44.83 1o5p s LEU 45 CO -0.04 -0.35 0.40 0.00 -1.32 0.00 0.00 176.35 175.04 1o5p s ALA 46 N 1.09 3.45 0.37 5.97 0.00 -0.62 -3.61 121.76 128.41 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 -3.01 -0.02 0.00 0.00 0.00 0.00 23.12 19.88 1o5p s ALA 46 CO -0.05 -1.57 0.32 0.00 0.00 0.00 0.00 175.76 174.47 1o5p s ASN 48 N -4.05 3.94 0.00 0.00 3.84 -0.89 -0.92 114.94 116.86 1o5p s ASN 48 Ca 0.44 -0.25 0.00 0.00 0.21 0.00 0.00 52.86 53.26 1o5p s ASN 48 Cb -0.05 -0.98 0.00 0.00 -0.55 0.00 0.00 41.25 39.67 1o5p s ASN 48 CO 0.27 0.30 0.61 -0.81 -2.79 0.00 0.00 177.10 174.69 1o5p n PRO 49 N 2.59 0.78 -0.02 0.43 -0.04 -1.26 -3.31 135.00 134.17 1o5p n PRO 49 Ca -0.17 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.32 1o5p n PRO 49 Cb 0.52 -1.23 0.05 0.00 -0.04 0.00 0.00 33.50 32.80 1o5p n PRO 49 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1o5p n ALA 50 N 0.40 2.41 -1.68 0.55 0.00 -1.26 -4.49 120.51 116.44 1o5p n ALA 50 Ca 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 53.44 52.77 1o5p n ALA 50 Cb 0.31 -0.26 0.00 0.00 0.00 0.00 0.00 19.45 19.50 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 0.37 0.00 -4.56 0.00 5.68 -1.21 -2.65 116.55 114.18 1o5p n ASP 51 Ca 0.05 -1.66 -0.40 0.00 -0.50 0.00 0.00 54.79 52.27 1o5p n ASP 51 Cb 0.22 -0.13 -0.03 0.00 -1.14 0.00 0.00 41.12 40.04 1o5p n ASP 51 CO 0.00 0.00 0.00 -0.36 -1.33 0.00 0.00 177.20 175.51 1o5p s PHE 52 N 0.00 2.44 0.00 2.11 0.40 -1.25 -3.22 117.98 118.46 1o5p s PHE 52 Ca 0.00 -0.62 0.00 0.00 -0.60 0.00 0.00 56.93 55.71 1o5p s PHE 52 Cb 0.00 -4.65 0.00 0.00 0.51 0.00 0.00 43.02 38.88 1o5p s PHE 52 CO 0.00 -1.96 0.00 0.43 0.70 0.00 0.00 175.22 174.39 1o5p n SER 53 N 9.26 0.91 0.00 1.36 7.64 0.61 -4.92 113.62 128.48 1o5p n SER 53 Ca 0.28 -0.69 0.00 0.00 1.01 0.00 0.00 58.87 59.47 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 -1.44 0.00 -3.55 6.43 2.88 -1.26 -2.20 113.62 114.48 1o5p n SER 54 Ca 0.00 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.41 1o5p n SER 54 Cb 0.00 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.42 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 -0.66 0.03 -0.02 2.46 0.11 -0.76 -4.96 120.40 116.60 1o5p s VAL 55 Ca 0.00 -0.25 -0.06 0.00 -2.93 0.00 0.00 61.98 58.74 1o5p s VAL 55 Cb 0.00 -1.02 -0.04 0.00 -1.53 0.00 0.00 36.38 33.78 1o5p s VAL 55 CO 0.00 -0.14 0.22 -0.89 -3.33 0.00 0.00 175.10 170.97 1o5p s THR 56 N -3.01 5.37 -0.38 5.04 2.01 -1.26 0.06 115.64 123.46 1o5p s THR 56 Ca -0.02 0.09 -0.27 0.00 0.31 0.00 0.00 61.69 61.79 1o5p s THR 56 Cb -0.00 -3.53 -0.04 0.00 0.01 0.00 0.00 72.50 68.93 1o5p s THR 56 CO -0.06 0.40 2.10 0.00 -0.69 0.00 0.00 174.62 176.36 1o5p s ALA 57 N -1.26 2.39 0.00 7.40 0.00 -1.09 -4.70 121.76 124.50 1o5p s ALA 57 Ca 0.25 0.21 0.00 0.00 0.00 0.00 0.00 51.96 52.43 1o5p s ALA 57 Cb -0.13 -4.17 0.00 0.00 0.00 0.00 0.00 23.12 18.83 1o5p s ALA 57 CO 0.15 -3.36 0.00 -0.40 0.00 0.00 0.00 175.76 172.15 1o5p n ASP 58 N 12.58 0.00 -0.11 0.00 5.75 -1.26 0.31 116.55 133.82 1o5p n ASP 58 Ca 0.28 0.00 -0.05 0.00 -0.01 0.00 0.00 54.79 55.01 1o5p n ASP 58 Cb 0.49 0.00 0.01 0.00 -1.03 0.00 0.00 41.12 40.59 1o5p n ASP 58 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1o5p h ALA 59 N -2.07 0.22 0.00 2.12 0.00 -1.92 -3.15 119.26 114.46 1o5p h ALA 59 Ca 0.00 0.14 -0.31 0.00 0.00 0.00 0.00 54.91 54.74 1o5p h ALA 59 Cb 0.00 0.31 -0.06 0.00 0.00 0.00 0.00 17.79 18.04 1o5p h ALA 59 CO 0.00 -0.47 -2.17 -1.71 0.00 0.00 0.00 179.25 174.90 1o5p n ASN 60 N -5.30 1.68 0.00 0.00 2.85 -1.26 -4.56 115.26 108.67 1o5p n ASN 60 Ca 0.02 -0.06 0.00 0.00 -0.11 0.00 0.00 54.58 54.43 1o5p n ASN 60 Cb 0.22 0.26 0.00 0.00 1.24 0.00 0.00 39.78 41.50 1o5p n ASN 60 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1o5p n GLY 61 N 2.25 0.71 3.47 8.20 0.00 -1.19 -2.14 105.19 116.48 1o5p n GLY 61 Ca -0.32 -0.74 -0.36 0.00 0.00 0.00 0.00 46.02 44.60 1o5p n GLY 61 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1o5p s SER 62 N -1.07 5.08 -0.21 1.61 0.01 -1.22 -1.90 113.70 116.00 1o5p s SER 62 Ca 0.00 -0.17 -0.02 0.00 1.31 0.00 0.00 55.95 57.07 1o5p s SER 62 Cb 0.00 -1.89 0.06 0.00 0.21 0.00 0.00 66.02 64.40 1o5p s SER 62 CO 0.00 0.03 0.02 0.00 0.41 0.00 0.00 173.24 173.70 1o5p s ALA 63 N 1.21 1.24 -0.18 1.44 0.00 0.20 -4.64 121.76 121.03 1o5p s ALA 63 Ca 0.04 -0.91 0.00 0.00 0.00 0.00 0.00 51.96 51.09 1o5p s ALA 63 Cb -0.14 -1.27 0.02 0.00 0.00 0.00 0.00 23.12 21.72 1o5p s ALA 63 CO 0.03 -1.22 -0.18 -1.12 0.00 0.00 0.00 175.76 173.26 1o5p s SER 64 N 1.75 3.28 -0.05 0.00 0.01 -1.26 0.93 113.70 118.35 1o5p s SER 64 Ca -0.01 -0.61 -0.06 0.00 1.31 0.00 0.00 55.95 56.58 1o5p s SER 64 Cb -0.17 -1.51 0.01 0.00 0.21 0.00 0.00 66.02 64.56 1o5p s SER 64 CO -0.09 0.00 0.16 0.28 0.41 0.00 0.00 173.24 174.01 1o5p s THR 65 N 1.28 0.01 -0.15 1.44 -1.32 -0.97 -4.98 115.64 110.94 1o5p s THR 65 Ca 0.04 -0.11 -0.08 0.00 -1.21 0.00 0.00 61.69 60.33 1o5p s THR 65 Cb -0.13 -0.27 -0.04 0.00 -1.51 0.00 0.00 72.50 70.54 1o5p s THR 65 CO -0.11 -0.06 0.14 -0.94 -2.21 0.00 0.00 174.62 171.44 1o5p s SER 66 N -0.15 6.32 0.21 8.08 1.04 -1.26 -2.08 113.70 125.86 1o5p s SER 66 Ca -0.02 0.38 0.01 0.00 0.48 0.00 0.00 55.95 56.79 1o5p s SER 66 Cb -0.02 -2.08 -0.05 0.00 0.10 0.00 0.00 66.02 63.97 1o5p s SER 66 CO 0.00 0.31 0.07 -0.76 0.98 0.00 0.00 173.24 173.85 1o5p s LEU 67 N -0.46 1.74 -0.22 2.42 1.02 -0.19 -4.92 118.68 118.07 1o5p s LEU 67 Ca 0.12 -1.30 -0.11 0.00 0.02 0.00 0.00 54.13 52.86 1o5p s LEU 67 Cb -0.12 0.06 -0.05 0.00 0.02 0.00 0.00 46.19 46.10 1o5p s LEU 67 CO 0.02 -0.69 0.17 0.42 0.02 0.00 0.00 176.35 176.29 1o5p s THR 68 N -3.79 5.36 -0.00 5.49 -4.23 -1.09 0.39 115.64 117.78 1o5p s THR 68 Ca 0.33 0.24 0.03 0.00 -1.18 0.00 0.00 61.69 61.11 1o5p s THR 68 Cb 0.07 -3.51 -0.01 0.00 1.34 0.00 0.00 72.50 70.39 1o5p s THR 68 CO 0.09 0.37 -0.10 0.68 -0.54 0.00 0.00 174.62 175.13 1o5p s VAL 69 N 0.82 0.79 0.00 2.29 -7.23 -0.90 -4.06 120.40 112.11 1o5p s VAL 69 Ca 0.09 -0.49 0.00 0.00 -1.81 0.00 0.00 61.98 59.77 1o5p s VAL 69 Cb -0.13 -0.67 0.00 0.00 0.56 0.00 0.00 36.38 36.14 1o5p s VAL 69 CO 0.03 0.18 0.00 0.54 -0.31 0.00 0.00 175.10 175.54 1o5p n ARG 70 N 2.72 1.62 0.00 4.82 1.74 -1.26 -4.32 116.66 121.97 1o5p n ARG 70 Ca -0.14 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.94 1o5p n ARG 70 Cb 0.56 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.00 1o5p n ARG 70 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1o5p n ARG 71 N 0.00 0.00 -2.20 5.56 1.74 -1.26 -4.75 116.66 115.74 1o5p n ARG 71 Ca 0.00 0.05 -0.41 0.00 -0.77 0.00 0.00 57.85 56.72 1o5p n ARG 71 Cb 0.00 -0.53 -0.03 0.00 -1.02 0.00 0.00 32.46 30.88 1o5p n ARG 71 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1o5p s SER 72 N -1.20 6.89 -0.27 0.55 0.01 -1.26 -0.65 113.70 117.77 1o5p s SER 72 Ca 0.00 2.48 -0.22 0.00 1.31 0.00 0.00 55.95 59.53 1o5p s SER 72 Cb 0.00 -2.62 0.08 0.00 0.21 0.00 0.00 66.02 63.68 1o5p s SER 72 CO 0.00 -0.50 0.72 0.72 0.41 0.00 0.00 173.24 174.60 1o5p s PHE 73 N -0.40 -0.87 -0.34 2.43 -0.71 -0.76 -4.85 117.98 112.49 1o5p s PHE 73 Ca 0.53 1.97 -0.31 0.00 -1.04 0.00 0.00 56.93 58.08 1o5p s PHE 73 Cb -0.37 0.40 -0.13 0.00 -1.21 0.00 0.00 43.02 41.70 1o5p s PHE 73 CO 0.43 -0.42 1.12 0.39 -1.34 0.00 0.00 175.22 175.39 1o5p n GLU 74 N 3.24 0.00 -1.28 1.99 -0.58 -1.26 -1.60 120.64 121.15 1o5p n GLU 74 Ca -0.16 0.00 -0.22 0.00 -0.42 0.00 0.00 57.16 56.36 1o5p n GLU 74 Cb 0.56 -1.01 -0.06 0.00 -0.57 0.00 0.00 31.44 30.37 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 2.97 4.01 3.01 0.62 0.00 -0.43 -3.12 105.19 112.26 1o5p n GLY 75 Ca 0.23 -1.58 -0.55 0.00 0.00 0.00 0.00 46.02 44.11 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 1.10 1.29 -3.07 1.61 3.72 -0.10 -2.22 117.46 119.80 1o5p n PHE 76 Ca 0.43 0.85 -0.40 0.00 -0.05 0.00 0.00 57.45 58.28 1o5p n PHE 76 Cb 0.62 -1.92 -0.05 0.00 -0.94 0.00 0.00 39.48 37.20 1o5p n PHE 76 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 1o5p s LEU 77 N 3.59 4.22 -0.25 4.37 2.96 -0.63 -1.93 118.68 131.01 1o5p s LEU 77 Ca 0.94 1.02 -0.02 0.00 -0.22 0.00 0.00 54.13 55.86 1o5p s LEU 77 Cb -1.27 -3.01 -0.02 0.00 0.50 0.00 0.00 46.19 42.39 1o5p s LEU 77 CO 0.64 -0.22 1.31 0.33 -1.32 0.00 0.00 176.35 177.10 1o5p n PHE 78 N 4.50 0.37 -1.95 5.38 7.35 -1.24 -2.89 117.46 128.99 1o5p n PHE 78 Ca -0.01 -0.86 0.00 0.00 -0.76 0.00 0.00 57.45 55.82 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 0.00 0.00 -2.13 2.03 -1.26 -4.98 116.55 114.66 1o5p n ASP 79 Ca 0.13 -0.96 0.00 0.00 0.52 0.00 0.00 54.79 54.49 1o5p n ASP 79 Cb 0.06 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.46 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 2.75 3.96 0.27 0.00 -1.14 -4.99 105.19 106.04 1o5p n GLY 80 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 1o5p n GLY 80 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1o5p s THR 81 N -1.07 4.31 -0.10 2.61 -4.23 -1.26 -4.96 115.64 110.95 1o5p s THR 81 Ca 0.00 -0.57 -0.01 0.00 -1.18 0.00 0.00 61.69 59.92 1o5p s THR 81 Cb 0.00 -3.57 -0.03 0.00 1.34 0.00 0.00 72.50 70.24 1o5p s THR 81 CO 0.00 -0.36 -0.03 0.00 -0.54 0.00 0.00 174.62 173.69 1o5p s ARG 82 N -4.43 3.06 0.37 3.99 1.70 -1.26 -1.61 118.95 120.78 1o5p s ARG 82 Ca 0.45 -0.48 0.22 0.00 -0.47 0.00 0.00 55.73 55.45 1o5p s ARG 82 Cb -0.10 -2.75 0.24 0.00 -0.57 0.00 0.00 34.95 31.77 1o5p s ARG 82 CO 0.36 0.59 1.49 2.35 -1.08 0.00 0.00 175.30 179.01 1o5p h TRP 83 N 5.54 0.00 0.00 5.89 7.01 -1.76 -3.45 115.95 129.17 1o5p h TRP 83 Ca -0.46 0.00 0.00 0.00 2.11 0.00 0.00 58.89 60.54 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 0.09 0.00 0.41 -2.79 0.00 0.00 178.44 176.74 1o5p n GLY 84 N 1.14 1.79 3.61 2.65 0.00 -1.26 -4.93 105.19 108.18 1o5p n GLY 84 Ca 0.03 -2.18 -0.43 0.00 0.00 0.00 0.00 46.02 43.44 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 -1.64 3.21 -0.60 2.61 -4.23 -1.26 -1.31 115.64 112.41 1o5p s THR 85 Ca 0.00 0.22 -0.26 0.00 -1.18 0.00 0.00 61.69 60.48 1o5p s THR 85 Cb 0.00 -3.25 0.04 0.00 1.34 0.00 0.00 72.50 70.63 1o5p s THR 85 CO 0.00 -0.14 1.07 -0.69 -0.54 0.00 0.00 174.62 174.32 1o5p s VAL 86 N 7.12 4.16 -0.27 2.29 1.01 -0.63 -4.74 120.40 129.36 1o5p s VAL 86 Ca 0.90 0.41 -0.28 0.00 0.00 0.00 0.00 61.98 63.01 1o5p s VAL 86 Cb -0.31 -4.67 -0.03 0.00 0.00 0.00 0.00 36.38 31.37 1o5p s VAL 86 CO 0.35 -1.34 1.87 -1.81 0.00 0.00 0.00 175.10 174.16 1o5p s ASP 87 N 3.12 5.91 0.00 3.32 1.11 -1.26 -1.83 116.67 127.04 1o5p s ASP 87 Ca 0.34 1.56 0.06 0.00 0.18 0.00 0.00 52.55 54.69 1o5p s ASP 87 Cb -0.11 -2.52 0.34 0.00 1.07 0.00 0.00 42.92 41.70 1o5p s ASP 87 CO 0.19 -1.65 1.03 0.00 1.18 0.00 0.00 175.17 175.92 1o5p n THR 89 N -1.24 0.09 -0.02 0.00 -2.24 -1.26 -4.19 114.28 105.42 1o5p n THR 89 Ca 0.03 -0.24 -0.05 0.00 -2.27 0.00 0.00 64.05 61.53 1o5p n THR 89 Cb 0.05 0.26 -0.02 0.00 -2.10 0.00 0.00 70.33 68.52 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 0.01 0.38 -3.32 4.28 -2.24 -0.18 -5.07 114.28 108.15 1o5p n THR 90 Ca 0.18 -0.02 -0.22 0.00 -2.27 0.00 0.00 64.05 61.72 1o5p n THR 90 Cb 0.29 -1.58 0.05 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 -3.27 1.13 -2.83 6.98 0.00 -1.18 -5.09 120.51 116.26 1o5p n ALA 91 Ca -0.09 -2.18 -0.39 0.00 0.00 0.00 0.00 53.44 50.79 1o5p n ALA 91 Cb 0.51 0.70 -0.12 0.00 0.00 0.00 0.00 19.45 20.54 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 -2.74 3.31 -0.24 0.00 0.00 -1.26 -4.72 121.76 116.10 1o5p s ALA 92 Ca 0.52 -1.36 -0.14 0.00 0.00 0.00 0.00 51.96 50.99 1o5p s ALA 92 Cb -0.04 -2.40 -0.04 0.00 0.00 0.00 0.00 23.12 20.64 1o5p s ALA 92 CO 0.33 -0.87 0.30 0.00 0.00 0.00 0.00 175.76 175.53 1o5p s GLN 94 N 1.48 3.13 -0.35 0.00 1.11 -0.68 -2.54 119.66 121.80 1o5p s GLN 94 Ca 0.13 -0.56 -0.10 0.00 0.01 0.00 0.00 55.36 54.85 1o5p s GLN 94 Cb -0.15 -2.87 0.02 0.00 -1.01 0.00 0.00 33.01 29.00 1o5p s GLN 94 CO 0.08 0.60 0.18 0.08 0.01 0.00 0.00 175.29 176.23 1o5p s VAL 95 N -1.40 4.51 0.08 1.09 1.01 0.19 -2.21 120.40 123.66 1o5p s VAL 95 Ca 0.30 -0.73 -0.01 0.00 0.00 0.00 0.00 61.98 61.54 1o5p s VAL 95 Cb -0.12 -3.44 0.00 0.00 0.00 0.00 0.00 36.38 32.82 1o5p s VAL 95 CO 0.23 -0.12 0.12 0.61 0.00 0.00 0.00 175.10 175.93 1o5p n GLY 96 N 4.98 2.61 3.74 4.51 0.00 -1.07 0.36 105.19 120.32 1o5p n GLY 96 Ca -0.13 -1.33 -0.32 0.00 0.00 0.00 0.00 46.02 44.24 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 2.24 0.00 0.99 1.02 -1.22 -2.15 118.68 119.56 1o5p s LEU 97 Ca 0.05 -1.67 0.00 0.00 0.02 0.00 0.00 54.13 52.53 1o5p s LEU 97 Cb -0.00 -0.66 0.00 0.00 0.02 0.00 0.00 46.19 45.54 1o5p s LEU 97 CO 0.04 -0.88 0.00 -1.20 0.02 0.00 0.00 176.35 174.33 1o5p n SER 98 N -1.28 0.00 0.00 2.29 7.64 -0.31 -4.31 113.62 117.65 1o5p n SER 98 Ca -0.18 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.70 1o5p n SER 98 Cb 0.67 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.87 1o5p n SER 98 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1o5p n ASP 99 N 0.00 1.32 -1.59 6.43 5.75 -1.25 0.27 116.55 127.48 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 4.74 -0.04 2.12 0.00 -1.26 -4.61 120.51 118.46 1o5p n ALA 100 Ca 0.00 -3.54 -0.05 0.00 0.00 0.00 0.00 53.44 49.85 1o5p n ALA 100 Cb 0.00 -0.55 -0.05 0.00 0.00 0.00 0.00 19.45 18.85 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 -0.90 1.82 0.00 0.00 0.00 -1.26 -5.01 120.51 115.16 1o5p n ALA 101 Ca 0.39 -0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1o5p n ALA 101 Cb 0.89 0.18 0.00 0.00 0.00 0.00 0.00 19.45 20.52 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 2.77 1.04 2.88 0.00 0.00 -1.26 -5.14 105.19 105.48 1o5p n GLY 102 Ca -0.13 -0.07 -0.05 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 -1.55 -0.18 1.61 5.03 -1.26 -5.00 115.26 113.90 1o5p n ASN 103 Ca 0.00 -1.97 0.00 0.00 0.87 0.00 0.00 54.58 53.48 1o5p n ASN 103 Cb 0.00 2.56 0.00 0.00 -1.02 0.00 0.00 39.78 41.32 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 -0.47 1.53 3.03 7.41 0.00 -1.26 -3.79 105.19 111.65 1o5p n GLY 104 Ca -0.04 -0.70 -0.26 0.00 0.00 0.00 0.00 46.02 45.02 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 -0.98 -1.40 1.61 -0.02 -1.26 -4.89 135.00 128.06 1o5p n PRO 105 Ca 0.00 -0.28 -0.09 0.00 -2.02 0.00 0.00 63.50 61.10 1o5p n PRO 105 Cb 0.00 -1.29 0.05 0.00 -0.02 0.00 0.00 33.50 32.23 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 0.19 0.35 -4.60 -0.52 0.28 -1.26 -4.57 120.64 110.51 1o5p n GLU 106 Ca 0.01 -1.08 -0.27 0.00 -0.16 0.00 0.00 57.16 55.66 1o5p n GLU 106 Cb 0.50 -0.26 -0.09 0.00 1.43 0.00 0.00 31.44 33.02 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 -3.44 2.60 0.16 -1.84 0.00 -1.26 -3.46 107.32 100.08 1o5p s GLY 107 Ca 0.26 -1.35 0.07 0.00 0.00 0.00 0.00 44.72 43.70 1o5p s GLY 107 CO 0.17 -1.99 -0.02 0.14 0.00 0.00 0.00 173.10 171.41 1o5p s VAL 108 N -3.04 3.69 -0.23 1.40 1.01 0.16 -4.83 120.40 118.56 1o5p s VAL 108 Ca 0.23 -1.38 -0.15 0.00 0.00 0.00 0.00 61.98 60.68 1o5p s VAL 108 Cb 0.05 -2.83 -0.04 0.00 0.00 0.00 0.00 36.38 33.56 1o5p s VAL 108 CO 0.12 -0.07 0.38 0.00 0.00 0.00 0.00 175.10 175.54 1o5p s ALA 109 N -1.64 3.57 0.43 5.51 0.00 -1.26 0.53 121.76 128.90 1o5p s ALA 109 Ca 0.27 -0.65 0.06 0.00 0.00 0.00 0.00 51.96 51.63 1o5p s ALA 109 Cb -0.10 -2.66 0.01 0.00 0.00 0.00 0.00 23.12 20.37 1o5p s ALA 109 CO 0.18 -0.45 0.59 0.96 0.00 0.00 0.00 175.76 177.05 1o5p s ILE 110 N 1.63 3.29 0.09 0.00 -4.36 -1.05 -4.81 121.20 115.98 1o5p s ILE 110 Ca 0.17 -0.89 0.02 0.00 -0.26 0.00 0.00 60.65 59.70 1o5p s ILE 110 Cb -0.15 -3.14 -0.04 0.00 1.25 0.00 0.00 42.46 40.38 1o5p s ILE 110 CO 0.08 -0.07 -0.08 -0.55 0.24 0.00 0.00 174.94 174.57 1o5p s SER 111 N -4.31 1.16 -0.52 4.36 0.15 0.19 -4.69 113.70 110.04 1o5p s SER 111 Ca 0.52 -0.86 0.05 0.00 0.70 0.00 0.00 55.95 56.36 1o5p s SER 111 Cb -0.10 0.06 0.18 0.00 -1.71 0.00 0.00 66.02 64.45 1o5p s SER 111 CO 0.34 -0.36 0.44 0.49 1.20 0.00 0.00 173.24 175.35 1o5p n PHE 112 N 0.43 0.83 0.86 3.44 3.72 -1.26 -2.84 117.46 122.64 1o5p n PHE 112 Ca -0.15 -3.72 0.07 0.00 -0.05 0.00 0.00 57.45 53.59 1o5p n PHE 112 Cb 0.59 -0.14 0.41 0.00 -0.94 0.00 0.00 39.48 39.39 1o5p n PHE 112 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98