#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 4.11 0.86 0.00 0.00 -1.26 -4.89 121.76 120.59 1o5p s ALA 2 Ca 0.00 -1.56 -0.12 0.00 0.00 0.00 0.00 51.96 50.28 1o5p s ALA 2 Cb 0.00 -1.89 0.12 0.00 0.00 0.00 0.00 23.12 21.35 1o5p s ALA 2 CO 0.00 -0.76 1.18 -2.14 0.00 0.00 0.00 175.76 174.03 1o5p s PRO 3 N -4.71 1.31 0.02 0.00 0.02 -0.54 -4.27 135.00 126.83 1o5p s PRO 3 Ca 0.59 1.65 -0.28 0.00 0.02 0.00 0.00 61.00 62.98 1o5p s PRO 3 Cb -0.09 -1.75 0.10 0.00 0.02 0.00 0.00 34.50 32.78 1o5p s PRO 3 CO 0.38 -2.43 0.86 0.95 -0.33 0.00 0.00 177.00 176.43 1o5p s THR 4 N -2.41 0.00 -0.13 0.99 -4.23 1.03 -4.85 115.64 106.04 1o5p s THR 4 Ca 0.70 -0.05 -0.06 0.00 -1.18 0.00 0.00 61.69 61.09 1o5p s THR 4 Cb -0.26 -1.08 0.05 0.00 1.34 0.00 0.00 72.50 72.56 1o5p s THR 4 CO 0.54 0.00 0.30 0.00 -0.54 0.00 0.00 174.62 174.92 1o5p s ALA 5 N -3.20 -0.71 -0.42 3.99 0.00 -1.26 0.24 121.76 120.41 1o5p s ALA 5 Ca 0.05 1.15 -0.10 0.00 0.00 0.00 0.00 51.96 53.07 1o5p s ALA 5 Cb -0.01 -0.78 0.08 0.00 0.00 0.00 0.00 23.12 22.41 1o5p s ALA 5 CO -0.09 -0.28 0.27 0.95 0.00 0.00 0.00 175.76 176.61 1o5p s THR 6 N 1.47 4.28 -0.20 0.00 -4.23 -0.23 -4.79 115.64 111.94 1o5p s THR 6 Ca -0.08 -1.38 0.00 0.00 -1.18 0.00 0.00 61.69 59.05 1o5p s THR 6 Cb -0.10 -3.62 0.02 0.00 1.34 0.00 0.00 72.50 70.14 1o5p s THR 6 CO -0.10 -0.51 -0.16 -0.69 -0.54 0.00 0.00 174.62 172.62 1o5p s VAL 7 N 1.44 2.31 -0.10 2.29 1.01 -1.24 0.12 120.40 126.22 1o5p s VAL 7 Ca 0.03 -0.95 -0.30 0.00 0.00 0.00 0.00 61.98 60.76 1o5p s VAL 7 Cb -0.23 -2.04 0.09 0.00 0.00 0.00 0.00 36.38 34.20 1o5p s VAL 7 CO 0.02 0.44 0.79 -0.89 0.00 0.00 0.00 175.10 175.46 1o5p s THR 8 N 1.30 0.00 0.48 3.92 2.01 -0.69 -4.37 115.64 118.29 1o5p s THR 8 Ca 0.03 0.00 -0.19 0.00 0.31 0.00 0.00 61.69 61.84 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 -0.10 0.00 0.99 -2.16 -0.69 0.00 0.00 174.62 172.66 1o5p s PRO 9 N -1.04 3.96 0.04 4.92 0.05 -1.26 -1.30 135.00 140.36 1o5p s PRO 9 Ca -0.07 1.18 0.19 0.00 0.05 0.00 0.00 61.00 62.35 1o5p s PRO 9 Cb -0.01 -2.13 -0.16 0.00 0.05 0.00 0.00 34.50 32.25 1o5p s PRO 9 CO 0.07 -0.28 0.70 -1.13 0.05 0.00 0.00 177.00 176.41 1o5p n SER 10 N -1.04 0.56 -4.26 6.66 3.41 -1.26 -4.78 113.62 112.91 1o5p n SER 10 Ca 0.08 0.24 -0.15 0.00 -0.26 0.00 0.00 58.87 58.78 1o5p n SER 10 Cb 0.53 0.72 -0.10 0.00 -0.26 0.00 0.00 64.21 65.11 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 1.65 -0.28 4.04 0.01 -1.26 0.60 113.70 113.07 1o5p s SER 11 Ca -0.04 -1.09 -0.01 0.00 1.31 0.00 0.00 55.95 56.11 1o5p s SER 11 Cb 0.10 0.03 0.00 0.00 0.21 0.00 0.00 66.02 66.35 1o5p s SER 11 CO 0.83 -0.43 0.16 0.61 0.41 0.00 0.00 173.24 174.82 1o5p n GLY 12 N -0.25 0.54 0.12 3.44 0.00 -1.15 -4.91 105.19 102.98 1o5p n GLY 12 Ca -0.08 -0.56 -0.22 0.00 0.00 0.00 0.00 46.02 45.16 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 -1.14 2.28 -1.09 0.99 4.77 -1.26 -5.06 117.00 116.49 1o5p n LEU 13 Ca -0.01 0.30 0.00 0.00 -0.03 0.00 0.00 56.01 56.27 1o5p n LEU 13 Cb 0.52 -1.05 0.00 0.00 -2.33 0.00 0.00 43.42 40.56 1o5p n LEU 13 CO 0.10 0.60 -0.33 -0.24 -1.33 0.00 0.00 177.39 176.20 1o5p n SER 14 N -3.92 -6.00 -4.48 -1.43 2.88 -1.26 -3.80 113.62 95.61 1o5p n SER 14 Ca -0.33 1.11 -0.46 0.00 -1.33 0.00 0.00 58.87 57.86 1o5p n SER 14 Cb 0.88 -3.11 -0.07 0.00 -0.75 0.00 0.00 64.21 61.16 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 -1.69 1.90 0.00 -3.46 5.75 -1.26 -2.03 116.55 115.76 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 0.19 -1.28 0.00 0.00 -1.03 0.00 0.00 41.12 39.00 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 0.67 6.12 0.00 -1.26 -5.06 105.19 113.60 1o5p n GLY 16 Ca 0.44 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.42 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 -0.65 0.00 -4.62 2.61 5.66 -0.86 -4.95 114.28 111.46 1o5p n THR 17 Ca 0.00 -0.34 -0.22 0.00 -3.05 0.00 0.00 64.05 60.43 1o5p n THR 17 Cb 0.00 -0.78 -0.15 0.00 -1.55 0.00 0.00 70.33 67.85 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 0.15 1.08 0.20 1.08 1.01 -1.26 -2.02 120.40 120.65 1o5p s VAL 18 Ca 0.09 -0.57 0.11 0.00 0.00 0.00 0.00 61.98 61.61 1o5p s VAL 18 Cb -0.01 -0.91 -0.04 0.00 0.00 0.00 0.00 36.38 35.42 1o5p s VAL 18 CO 0.06 0.31 -0.18 0.68 0.00 0.00 0.00 175.10 175.96 1o5p s VAL 19 N -0.22 2.65 -0.32 2.92 -7.23 0.17 -4.70 120.40 113.68 1o5p s VAL 19 Ca 0.03 -1.95 -0.03 0.00 -1.81 0.00 0.00 61.98 58.22 1o5p s VAL 19 Cb -0.06 -2.30 0.05 0.00 0.56 0.00 0.00 36.38 34.62 1o5p s VAL 19 CO -0.00 -0.15 0.05 -0.75 -0.31 0.00 0.00 175.10 173.93 1o5p s LYS 20 N -2.84 2.45 -0.23 4.82 2.20 -0.42 -0.55 119.74 125.18 1o5p s LYS 20 Ca 0.23 -1.29 -0.07 0.00 -0.36 0.00 0.00 55.97 54.48 1o5p s LYS 20 Cb -0.08 -3.29 -0.03 0.00 -1.51 0.00 0.00 37.83 32.91 1o5p s LYS 20 CO 0.12 -0.67 0.07 0.54 -0.36 0.00 0.00 175.35 175.05 1o5p s VAL 21 N 1.29 4.47 0.36 4.02 0.11 -0.86 -1.70 120.40 128.08 1o5p s VAL 21 Ca -0.03 -0.13 0.08 0.00 -2.93 0.00 0.00 61.98 58.97 1o5p s VAL 21 Cb -0.20 -3.07 -0.05 0.00 -1.53 0.00 0.00 36.38 31.54 1o5p s VAL 21 CO -0.00 0.37 0.13 0.00 -3.33 0.00 0.00 175.10 172.27 1o5p s ALA 22 N 1.25 3.47 -0.21 1.54 0.00 0.32 -2.27 121.76 125.87 1o5p s ALA 22 Ca 0.05 -1.91 -0.04 0.00 0.00 0.00 0.00 51.96 50.06 1o5p s ALA 22 Cb -0.15 -0.59 0.09 0.00 0.00 0.00 0.00 23.12 22.47 1o5p s ALA 22 CO 0.04 -0.00 0.19 0.20 0.00 0.00 0.00 175.76 176.18 1o5p s GLY 23 N -3.84 0.11 -0.05 0.00 0.00 0.24 -1.07 107.32 102.72 1o5p s GLY 23 Ca 0.38 -0.03 0.05 0.00 0.00 0.00 0.00 44.72 45.12 1o5p s GLY 23 CO 0.22 2.08 -0.19 0.00 0.00 0.00 0.00 173.10 175.22 1o5p s ALA 24 N 2.27 2.47 0.00 3.20 0.00 0.66 0.60 121.76 130.96 1o5p s ALA 24 Ca 0.06 -1.02 0.00 0.00 0.00 0.00 0.00 51.96 51.00 1o5p s ALA 24 Cb -0.16 -0.83 0.00 0.00 0.00 0.00 0.00 23.12 22.13 1o5p s ALA 24 CO -0.15 0.52 0.00 0.41 0.00 0.00 0.00 175.76 176.54 1o5p n GLY 25 N 2.46 0.72 3.99 0.00 0.00 -0.90 0.34 105.19 111.80 1o5p n GLY 25 Ca -0.17 -0.70 -0.23 0.00 0.00 0.00 0.00 46.02 44.92 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 3.04 -0.89 0.99 1.43 -0.86 -1.47 118.68 120.93 1o5p s LEU 26 Ca 0.00 -0.30 -0.25 0.00 -1.03 0.00 0.00 54.13 52.55 1o5p s LEU 26 Cb 0.00 -2.16 -0.21 0.00 0.03 0.00 0.00 46.19 43.85 1o5p s LEU 26 CO 0.00 -1.69 2.50 0.00 0.23 0.00 0.00 176.35 177.40 1o5p n GLN 27 N -2.71 0.24 -1.22 1.70 3.00 -1.26 -4.15 117.38 112.98 1o5p n GLN 27 Ca 0.13 -0.07 -0.18 0.00 -0.01 0.00 0.00 57.00 56.87 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 11.11 0.36 0.00 -1.58 0.00 -1.23 -1.20 120.51 127.97 1o5p n ALA 28 Ca 0.59 -2.06 0.00 0.00 0.00 0.00 0.00 53.44 51.98 1o5p n ALA 28 Cb 0.18 -2.83 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 5.49 0.62 2.88 0.00 0.00 0.90 -4.82 105.19 110.26 1o5p n GLY 29 Ca 0.34 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.21 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 -0.82 -0.39 -0.17 2.61 -1.32 -0.34 -4.88 115.64 110.32 1o5p s THR 30 Ca 0.00 0.07 -0.39 0.00 -1.21 0.00 0.00 61.69 60.16 1o5p s THR 30 Cb 0.00 -0.59 -0.16 0.00 -1.51 0.00 0.00 72.50 70.25 1o5p s THR 30 CO 0.00 -0.05 1.63 0.00 -2.21 0.00 0.00 174.62 173.99 1o5p n ALA 31 N 5.34 -0.39 -2.48 11.08 0.00 -1.26 -2.67 120.51 130.12 1o5p n ALA 31 Ca -0.05 0.42 -0.28 0.00 0.00 0.00 0.00 53.44 53.52 1o5p n ALA 31 Cb 0.50 -2.19 -0.11 0.00 0.00 0.00 0.00 19.45 17.65 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 2.70 2.49 0.33 0.00 1.51 0.14 -4.30 117.35 120.22 1o5p s TYR 32 Ca 0.94 -0.28 0.05 0.00 -1.01 0.00 0.00 57.07 56.77 1o5p s TYR 32 Cb -1.03 -1.28 -0.01 0.00 -0.11 0.00 0.00 41.96 39.52 1o5p s TYR 32 CO 0.60 0.43 0.47 0.34 -1.11 0.00 0.00 175.55 176.29 1o5p s ASP 33 N -2.39 6.05 -0.12 2.29 -1.08 0.72 -1.42 116.67 120.72 1o5p s ASP 33 Ca 0.20 -0.04 -0.04 0.00 -0.52 0.00 0.00 52.55 52.14 1o5p s ASP 33 Cb -0.10 -1.44 0.06 0.00 -1.46 0.00 0.00 42.92 39.98 1o5p s ASP 33 CO 0.11 -0.38 0.20 0.54 0.52 0.00 0.00 175.17 176.16 1o5p s VAL 34 N -2.18 -0.31 0.14 1.11 0.11 -0.71 -1.08 120.40 117.49 1o5p s VAL 34 Ca 0.43 0.24 -0.21 0.00 -2.93 0.00 0.00 61.98 59.51 1o5p s VAL 34 Cb -0.09 -0.41 0.07 0.00 -1.53 0.00 0.00 36.38 34.42 1o5p s VAL 34 CO 0.32 0.07 0.98 0.61 -3.33 0.00 0.00 175.10 173.75 1o5p n GLY 35 N 5.33 0.60 3.43 6.54 0.00 -0.91 -0.28 105.19 119.90 1o5p n GLY 35 Ca -0.05 -1.12 -0.43 0.00 0.00 0.00 0.00 46.02 44.42 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 2.93 0.07 1.61 -2.07 -1.26 -2.58 119.66 116.32 1o5p s GLN 36 Ca 0.22 -1.09 0.05 0.00 -1.82 0.00 0.00 55.36 52.73 1o5p s GLN 36 Cb -0.02 -3.95 -0.03 0.00 -1.09 0.00 0.00 33.01 27.92 1o5p s GLN 36 CO 0.04 -0.78 -0.15 0.00 -1.32 0.00 0.00 175.29 173.08 1o5p s ALA 38 N -1.19 1.91 -0.35 0.00 0.00 -0.77 -1.56 121.76 119.79 1o5p s ALA 38 Ca -0.01 -0.95 -0.17 0.00 0.00 0.00 0.00 51.96 50.84 1o5p s ALA 38 Cb -0.10 -0.54 -0.00 0.00 0.00 0.00 0.00 23.12 22.48 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 -0.32 3.19 -0.95 0.00 0.51 -1.26 -1.84 118.94 118.27 1o5p s TRP 39 Ca 0.03 0.05 0.17 0.00 -2.12 0.00 0.00 56.10 54.22 1o5p s TRP 39 Cb -0.11 -2.83 0.60 0.00 -0.81 0.00 0.00 33.47 30.32 1o5p s TRP 39 CO 0.01 -0.51 1.51 1.33 -0.51 0.00 0.00 176.95 178.78 1o5p n VAL 40 N 5.36 1.71 -1.69 4.03 0.24 -0.91 -4.73 118.33 122.34 1o5p n VAL 40 Ca -0.07 -1.27 0.00 0.00 -2.04 0.00 0.00 64.34 60.96 1o5p n VAL 40 Cb 0.49 0.16 0.00 0.00 -1.47 0.00 0.00 33.84 33.01 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 0.73 0.00 -4.55 -1.34 8.00 -1.26 -4.96 116.55 113.17 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 0.78 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 0.42 -0.39 0.00 0.00 177.20 177.23 1o5p s THR 42 N -2.52 3.49 0.00 -3.53 -4.23 -1.26 -2.94 115.64 104.65 1o5p s THR 42 Ca 0.00 0.13 0.00 0.00 -1.18 0.00 0.00 61.69 60.64 1o5p s THR 42 Cb 0.00 -4.26 0.00 0.00 1.34 0.00 0.00 72.50 69.58 1o5p s THR 42 CO 0.00 -1.21 0.00 0.61 -0.54 0.00 0.00 174.62 173.48 1o5p n GLY 43 N 5.83 0.79 3.11 3.99 0.00 -1.26 -5.05 105.19 112.59 1o5p n GLY 43 Ca 0.19 -0.65 -0.34 0.00 0.00 0.00 0.00 46.02 45.22 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 2.69 -0.32 1.61 1.01 -1.15 -4.98 120.40 117.25 1o5p s VAL 44 Ca 0.00 -1.77 0.02 0.00 0.00 0.00 0.00 61.98 60.23 1o5p s VAL 44 Cb 0.00 -2.70 0.08 0.00 0.00 0.00 0.00 36.38 33.77 1o5p s VAL 44 CO 0.00 -0.29 0.02 -0.22 0.00 0.00 0.00 175.10 174.61 1o5p s LEU 45 N 1.12 4.33 -0.42 3.92 2.96 -1.26 -2.13 118.68 127.20 1o5p s LEU 45 Ca -0.00 -1.79 -0.16 0.00 -0.22 0.00 0.00 54.13 51.96 1o5p s LEU 45 Cb -0.20 -1.65 0.03 0.00 0.50 0.00 0.00 46.19 44.87 1o5p s LEU 45 CO -0.04 -0.33 0.38 0.00 -1.32 0.00 0.00 176.35 175.04 1o5p s ALA 46 N 1.05 3.46 0.36 5.97 0.00 -0.77 -3.35 121.76 128.48 1o5p s ALA 46 Ca 0.02 -1.68 0.07 0.00 0.00 0.00 0.00 51.96 50.38 1o5p s ALA 46 Cb -0.20 -2.99 -0.02 0.00 0.00 0.00 0.00 23.12 19.91 1o5p s ALA 46 CO -0.06 -1.56 0.38 0.00 0.00 0.00 0.00 175.76 174.52 1o5p s ASN 48 N -4.10 4.78 0.00 0.00 3.84 -0.86 -0.73 114.94 117.88 1o5p s ASN 48 Ca 0.45 -0.01 0.00 0.00 0.21 0.00 0.00 52.86 53.50 1o5p s ASN 48 Cb -0.06 -1.36 0.00 0.00 -0.55 0.00 0.00 41.25 39.28 1o5p s ASN 48 CO 0.28 0.33 0.56 -0.81 -2.79 0.00 0.00 177.10 174.67 1o5p n PRO 49 N 2.48 0.74 -0.01 0.43 -0.04 -1.26 -3.16 135.00 134.18 1o5p n PRO 49 Ca -0.18 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.30 1o5p n PRO 49 Cb 0.53 -1.25 0.02 0.00 -0.04 0.00 0.00 33.50 32.77 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 0.39 2.39 -1.86 0.55 0.00 -1.26 -4.54 120.51 116.18 1o5p n ALA 50 Ca 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 53.44 52.79 1o5p n ALA 50 Cb 0.28 -0.11 0.00 0.00 0.00 0.00 0.00 19.45 19.62 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 0.09 0.03 -4.55 0.00 5.75 -1.19 -2.82 116.55 113.86 1o5p n ASP 51 Ca 0.02 -1.89 -0.41 0.00 -0.01 0.00 0.00 54.79 52.50 1o5p n ASP 51 Cb 0.13 -0.18 -0.03 0.00 -1.03 0.00 0.00 41.12 40.02 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 -0.04 2.57 0.00 2.11 0.40 -1.25 -3.06 117.98 118.72 1o5p s PHE 52 Ca 0.00 -0.89 0.00 0.00 -0.60 0.00 0.00 56.93 55.44 1o5p s PHE 52 Cb 0.00 -4.68 0.00 0.00 0.51 0.00 0.00 43.02 38.86 1o5p s PHE 52 CO 0.00 -1.91 0.00 0.43 0.70 0.00 0.00 175.22 174.44 1o5p n SER 53 N 8.73 1.37 0.00 1.36 7.64 0.62 -4.94 113.62 128.40 1o5p n SER 53 Ca 0.33 -0.87 0.00 0.00 1.01 0.00 0.00 58.87 59.34 1o5p n SER 53 Cb 0.51 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.71 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 -1.42 0.00 -3.78 6.43 2.88 -1.26 -1.73 113.62 114.73 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 -0.07 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 -0.50 0.11 0.02 2.46 0.11 -0.51 -4.94 120.40 117.15 1o5p s VAL 55 Ca 0.00 -0.92 -0.05 0.00 -2.93 0.00 0.00 61.98 58.08 1o5p s VAL 55 Cb 0.00 -1.19 -0.05 0.00 -1.53 0.00 0.00 36.38 33.61 1o5p s VAL 55 CO 0.00 -0.51 0.25 -0.89 -3.33 0.00 0.00 175.10 170.62 1o5p s THR 56 N -3.52 5.33 -0.37 5.04 2.01 -1.26 0.25 115.64 123.12 1o5p s THR 56 Ca 0.02 0.04 -0.28 0.00 0.31 0.00 0.00 61.69 61.78 1o5p s THR 56 Cb 0.03 -3.57 -0.03 0.00 0.01 0.00 0.00 72.50 68.95 1o5p s THR 56 CO -0.09 0.32 1.89 0.00 -0.69 0.00 0.00 174.62 176.05 1o5p s ALA 57 N -1.34 2.68 0.00 7.40 0.00 -1.09 -4.70 121.76 124.71 1o5p s ALA 57 Ca 0.29 0.18 0.00 0.00 0.00 0.00 0.00 51.96 52.42 1o5p s ALA 57 Cb -0.13 -4.08 0.00 0.00 0.00 0.00 0.00 23.12 18.91 1o5p s ALA 57 CO 0.18 -2.94 0.00 -0.40 0.00 0.00 0.00 175.76 172.60 1o5p n ASP 58 N 11.13 0.00 -0.11 0.00 5.75 -1.26 0.31 116.55 132.37 1o5p n ASP 58 Ca 0.24 0.00 -0.05 0.00 -0.01 0.00 0.00 54.79 54.97 1o5p n ASP 58 Cb 0.48 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 -2.01 0.19 0.00 2.12 0.00 -1.93 -3.13 119.26 114.51 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 0.36 -0.06 0.00 0.00 0.00 0.00 17.79 18.09 1o5p h ALA 59 CO 0.00 -0.50 -2.17 -1.71 0.00 0.00 0.00 179.25 174.87 1o5p n ASN 60 N -5.33 1.58 0.00 0.00 5.15 -1.26 -4.56 115.26 110.83 1o5p n ASN 60 Ca 0.02 -0.05 0.00 0.00 -0.60 0.00 0.00 54.58 53.94 1o5p n ASN 60 Cb 0.24 0.33 0.00 0.00 -0.53 0.00 0.00 39.78 39.82 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 2.21 0.72 3.59 8.20 0.00 -1.19 -2.02 105.19 116.71 1o5p n GLY 61 Ca -0.32 -0.74 -0.36 0.00 0.00 0.00 0.00 46.02 44.61 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 5.63 -0.21 1.61 0.01 -1.22 -2.11 113.70 116.26 1o5p s SER 62 Ca 0.00 0.01 -0.03 0.00 1.31 0.00 0.00 55.95 57.25 1o5p s SER 62 Cb 0.00 -1.99 0.06 0.00 0.21 0.00 0.00 66.02 64.30 1o5p s SER 62 CO 0.00 0.09 0.05 0.00 0.41 0.00 0.00 173.24 173.79 1o5p s ALA 63 N 0.86 1.00 -0.21 1.44 0.00 0.20 -4.63 121.76 120.41 1o5p s ALA 63 Ca 0.05 -0.77 0.00 0.00 0.00 0.00 0.00 51.96 51.24 1o5p s ALA 63 Cb -0.13 -1.22 0.02 0.00 0.00 0.00 0.00 23.12 21.79 1o5p s ALA 63 CO 0.03 -1.23 -0.13 -1.54 0.00 0.00 0.00 175.76 172.88 1o5p s SER 64 N 1.86 3.77 -0.03 0.00 1.04 -1.26 0.80 113.70 119.88 1o5p s SER 64 Ca 0.00 -0.80 -0.02 0.00 0.48 0.00 0.00 55.95 55.62 1o5p s SER 64 Cb -0.17 -1.57 0.02 0.00 0.10 0.00 0.00 66.02 64.40 1o5p s SER 64 CO -0.10 -0.06 0.08 0.28 0.98 0.00 0.00 173.24 174.41 1o5p s THR 65 N 1.29 -0.03 -0.17 2.02 -1.32 -0.96 -4.99 115.64 111.48 1o5p s THR 65 Ca 0.02 0.09 -0.09 0.00 -1.21 0.00 0.00 61.69 60.50 1o5p s THR 65 Cb -0.15 -0.13 -0.05 0.00 -1.51 0.00 0.00 72.50 70.66 1o5p s THR 65 CO -0.08 0.04 0.13 -0.94 -2.21 0.00 0.00 174.62 171.55 1o5p s SER 66 N 0.55 6.21 0.33 8.08 1.04 -1.26 -2.02 113.70 126.63 1o5p s SER 66 Ca -0.04 0.29 0.04 0.00 0.48 0.00 0.00 55.95 56.71 1o5p s SER 66 Cb -0.06 -2.07 -0.04 0.00 0.10 0.00 0.00 66.02 63.96 1o5p s SER 66 CO -0.02 0.25 0.15 -0.76 0.98 0.00 0.00 173.24 173.84 1o5p s LEU 67 N -0.07 1.78 -0.24 2.42 1.02 0.29 -4.91 118.68 118.96 1o5p s LEU 67 Ca 0.10 -1.58 -0.10 0.00 0.02 0.00 0.00 54.13 52.56 1o5p s LEU 67 Cb -0.11 0.12 -0.05 0.00 0.02 0.00 0.00 46.19 46.16 1o5p s LEU 67 CO -0.00 -0.89 0.16 0.42 0.02 0.00 0.00 176.35 176.06 1o5p s THR 68 N -3.49 5.33 0.01 5.49 -4.23 -1.13 0.45 115.64 118.08 1o5p s THR 68 Ca 0.33 0.17 0.01 0.00 -1.18 0.00 0.00 61.69 61.03 1o5p s THR 68 Cb 0.05 -3.49 -0.01 0.00 1.34 0.00 0.00 72.50 70.39 1o5p s THR 68 CO 0.17 0.35 -0.05 0.68 -0.54 0.00 0.00 174.62 175.23 1o5p s VAL 69 N 1.06 0.35 0.00 2.29 -7.23 -0.85 -4.17 120.40 111.84 1o5p s VAL 69 Ca 0.07 -0.36 0.00 0.00 -1.81 0.00 0.00 61.98 59.88 1o5p s VAL 69 Cb -0.14 -0.33 0.00 0.00 0.56 0.00 0.00 36.38 36.47 1o5p s VAL 69 CO 0.04 -0.02 0.00 -2.11 -0.31 0.00 0.00 175.10 172.71 1o5p n ARG 70 N 2.66 0.23 0.00 4.82 1.85 -1.26 -4.15 116.66 120.81 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 -1.91 2.89 3.00 -1.26 -4.73 116.66 114.65 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 -0.45 -0.01 0.00 0.00 0.00 0.00 32.46 32.00 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 -1.26 6.50 -0.28 0.55 0.01 -1.26 -1.53 113.70 116.44 1o5p s SER 72 Ca 0.00 2.90 -0.21 0.00 1.31 0.00 0.00 55.95 59.95 1o5p s SER 72 Cb 0.00 -2.65 0.11 0.00 0.21 0.00 0.00 66.02 63.68 1o5p s SER 72 CO 0.00 -0.77 0.86 0.72 0.41 0.00 0.00 173.24 174.47 1o5p s PHE 73 N -0.87 -0.72 -0.27 2.43 -0.71 -0.76 -4.84 117.98 112.26 1o5p s PHE 73 Ca 0.54 1.57 -0.27 0.00 -1.04 0.00 0.00 56.93 57.72 1o5p s PHE 73 Cb -0.44 0.41 -0.12 0.00 -1.21 0.00 0.00 43.02 41.66 1o5p s PHE 73 CO 0.56 -0.35 0.91 0.39 -1.34 0.00 0.00 175.22 175.40 1o5p n GLU 74 N 3.20 0.00 -1.60 1.99 -0.58 -1.26 -1.75 120.64 120.64 1o5p n GLU 74 Ca -0.16 0.00 -0.30 0.00 -0.42 0.00 0.00 57.16 56.27 1o5p n GLU 74 Cb 0.57 -0.89 -0.03 0.00 -0.57 0.00 0.00 31.44 30.52 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 2.21 4.67 3.32 0.62 0.00 -0.51 -2.83 105.19 112.68 1o5p n GLY 75 Ca 0.18 -2.05 -0.61 0.00 0.00 0.00 0.00 46.02 43.54 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 0.47 1.29 -2.93 1.61 3.01 0.09 -2.28 117.46 118.72 1o5p n PHE 76 Ca 0.50 0.85 -0.41 0.00 1.01 0.00 0.00 57.45 59.40 1o5p n PHE 76 Cb 0.46 -2.24 -0.04 0.00 -0.01 0.00 0.00 39.48 37.65 1o5p n PHE 76 CO 0.00 0.00 0.00 -1.17 1.01 0.00 0.00 176.76 176.60 1o5p s LEU 77 N 5.18 4.26 -0.25 4.37 2.96 -0.68 -1.88 118.68 132.65 1o5p s LEU 77 Ca 1.14 1.25 -0.02 0.00 -0.22 0.00 0.00 54.13 56.29 1o5p s LEU 77 Cb -1.48 -3.22 -0.02 0.00 0.50 0.00 0.00 46.19 41.97 1o5p s LEU 77 CO 0.69 -0.26 1.31 0.33 -1.32 0.00 0.00 176.35 177.10 1o5p n PHE 78 N 4.44 0.37 -1.93 5.38 7.35 -1.21 -2.89 117.46 128.97 1o5p n PHE 78 Ca 0.02 -0.86 0.00 0.00 -0.76 0.00 0.00 57.45 55.85 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 4.44 0.00 0.00 -2.13 -0.08 -1.26 -4.98 116.55 112.54 1o5p n ASP 79 Ca 0.13 -0.94 0.00 0.00 -1.51 0.00 0.00 54.79 52.48 1o5p n ASP 79 Cb 0.06 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.52 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 2.80 3.93 0.27 0.00 -1.14 -4.99 105.19 106.06 1o5p n GLY 80 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 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 5.09 -0.13 2.61 -4.23 -1.26 -4.96 115.64 111.72 1o5p s THR 81 Ca 0.00 -0.27 -0.05 0.00 -1.18 0.00 0.00 61.69 60.19 1o5p s THR 81 Cb 0.00 -3.80 -0.04 0.00 1.34 0.00 0.00 72.50 70.00 1o5p s THR 81 CO 0.00 -0.44 0.04 0.00 -0.54 0.00 0.00 174.62 173.69 1o5p s ARG 82 N -3.94 3.48 0.29 3.99 1.70 -1.26 -1.68 118.95 121.53 1o5p s ARG 82 Ca 0.41 -0.34 0.24 0.00 -0.47 0.00 0.00 55.73 55.57 1o5p s ARG 82 Cb -0.10 -3.02 0.43 0.00 -0.57 0.00 0.00 34.95 31.69 1o5p s ARG 82 CO 0.33 0.52 1.54 2.35 -1.08 0.00 0.00 175.30 178.97 1o5p h TRP 83 N 5.80 0.00 0.00 5.89 7.01 -1.78 -3.46 115.95 129.41 1o5p h TRP 83 Ca -0.45 0.00 0.00 0.00 2.11 0.00 0.00 58.89 60.55 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 0.62 0.00 0.00 0.41 -2.79 0.00 0.00 178.44 176.68 1o5p n GLY 84 N 1.21 1.19 3.60 2.65 0.00 -1.26 -4.89 105.19 107.69 1o5p n GLY 84 Ca 0.04 -2.16 -0.42 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 -1.43 3.15 -0.61 2.61 -4.23 -1.26 -1.42 115.64 112.45 1o5p s THR 85 Ca 0.00 0.15 -0.27 0.00 -1.18 0.00 0.00 61.69 60.39 1o5p s THR 85 Cb 0.00 -3.21 0.03 0.00 1.34 0.00 0.00 72.50 70.66 1o5p s THR 85 CO 0.00 -0.14 1.16 -0.69 -0.54 0.00 0.00 174.62 174.41 1o5p s VAL 86 N 8.19 4.04 -0.25 2.29 1.01 -0.72 -4.71 120.40 130.25 1o5p s VAL 86 Ca 0.94 0.66 -0.29 0.00 0.00 0.00 0.00 61.98 63.30 1o5p s VAL 86 Cb -0.28 -4.73 -0.03 0.00 0.00 0.00 0.00 36.38 31.34 1o5p s VAL 86 CO 0.34 -1.40 1.86 -1.81 0.00 0.00 0.00 175.10 174.09 1o5p s ASP 87 N 3.10 5.96 0.00 3.32 1.11 -1.26 -1.82 116.67 127.07 1o5p s ASP 87 Ca 0.39 1.61 0.09 0.00 0.18 0.00 0.00 52.55 54.82 1o5p s ASP 87 Cb -0.09 -2.52 0.48 0.00 1.07 0.00 0.00 42.92 41.86 1o5p s ASP 87 CO 0.22 -1.61 1.13 0.00 1.18 0.00 0.00 175.17 176.10 1o5p n THR 89 N -1.22 0.03 -0.03 0.00 -2.24 -1.26 -4.07 114.28 105.49 1o5p n THR 89 Ca 0.05 -0.14 -0.06 0.00 -2.27 0.00 0.00 64.05 61.63 1o5p n THR 89 Cb 0.06 0.02 -0.02 0.00 -2.10 0.00 0.00 70.33 68.29 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 -0.36 0.30 -3.53 4.28 -2.24 -0.38 -5.07 114.28 107.28 1o5p n THR 90 Ca 0.20 -0.08 -0.23 0.00 -2.27 0.00 0.00 64.05 61.67 1o5p n THR 90 Cb 0.22 -1.56 0.03 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 -3.23 0.99 -2.92 6.98 0.00 -1.19 -5.09 120.51 116.04 1o5p n ALA 91 Ca -0.11 -2.12 -0.38 0.00 0.00 0.00 0.00 53.44 50.84 1o5p n ALA 91 Cb 0.58 0.75 -0.12 0.00 0.00 0.00 0.00 19.45 20.66 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 -2.73 3.24 -0.25 0.00 0.00 -1.26 -4.71 121.76 116.05 1o5p s ALA 92 Ca 0.43 -1.40 -0.14 0.00 0.00 0.00 0.00 51.96 50.85 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 0.27 -0.91 0.31 0.00 0.00 0.00 0.00 175.76 175.43 1o5p s GLN 94 N 1.60 3.32 -0.40 0.00 -0.21 -0.60 -2.47 119.66 120.90 1o5p s GLN 94 Ca 0.13 -0.38 -0.13 0.00 0.02 0.00 0.00 55.36 55.01 1o5p s GLN 94 Cb -0.15 -3.02 0.03 0.00 1.00 0.00 0.00 33.01 30.87 1o5p s GLN 94 CO 0.08 0.66 0.26 0.08 -2.12 0.00 0.00 175.29 174.25 1o5p s VAL 95 N -1.30 4.87 0.00 1.09 1.01 0.15 -2.27 120.40 123.94 1o5p s VAL 95 Ca 0.27 -0.81 0.00 0.00 0.00 0.00 0.00 61.98 61.43 1o5p s VAL 95 Cb -0.12 -3.74 0.00 0.00 0.00 0.00 0.00 36.38 32.52 1o5p s VAL 95 CO 0.18 -0.30 0.00 0.61 0.00 0.00 0.00 175.10 175.60 1o5p n GLY 96 N 5.07 3.15 3.01 4.51 0.00 -1.06 0.35 105.19 120.22 1o5p n GLY 96 Ca -0.11 -1.38 -0.26 0.00 0.00 0.00 0.00 46.02 44.27 1o5p n GLY 96 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1o5p n LEU 97 N 0.00 0.00 -3.79 0.99 4.32 -1.22 -2.14 117.00 115.17 1o5p n LEU 97 Ca 0.00 -2.56 0.00 0.00 -0.02 0.00 0.00 56.01 53.44 1o5p n LEU 97 Cb 0.00 0.22 0.00 0.00 -1.62 0.00 0.00 43.42 42.02 1o5p n LEU 97 CO 0.00 -0.41 0.97 -0.94 -1.22 0.00 0.00 177.39 175.80 1o5p s SER 98 N -3.37 -0.05 0.00 -1.43 1.04 -0.24 -4.35 113.70 105.31 1o5p s SER 98 Ca 0.06 -0.30 0.00 0.00 0.48 0.00 0.00 55.95 56.19 1o5p s SER 98 Cb -0.00 0.27 0.00 0.00 0.10 0.00 0.00 66.02 66.39 1o5p s SER 98 CO 0.04 -0.52 0.00 -0.90 0.98 0.00 0.00 173.24 172.84 1o5p n ASP 99 N -0.79 1.72 -1.55 7.02 5.75 -1.23 0.26 116.55 127.73 1o5p n ASP 99 Ca -0.04 0.00 -0.14 0.00 -0.01 0.00 0.00 54.79 54.60 1o5p n ASP 99 Cb 0.61 0.00 0.10 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 4.67 -0.01 2.12 0.00 -1.26 -4.63 120.51 118.40 1o5p n ALA 100 Ca 0.00 -3.56 -0.01 0.00 0.00 0.00 0.00 53.44 49.88 1o5p n ALA 100 Cb 0.00 -0.49 -0.01 0.00 0.00 0.00 0.00 19.45 18.95 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 -0.89 1.97 0.00 0.00 0.00 -1.26 -5.02 120.51 115.31 1o5p n ALA 101 Ca 0.37 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.75 1o5p n ALA 101 Cb 0.88 0.31 0.00 0.00 0.00 0.00 0.00 19.45 20.64 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 3.10 1.09 3.07 0.00 0.00 -1.26 -5.14 105.19 106.05 1o5p n GLY 102 Ca -0.02 -0.08 -0.08 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 -1.83 -0.26 1.61 5.03 -1.26 -4.98 115.26 113.57 1o5p n ASN 103 Ca 0.00 -2.34 0.00 0.00 0.87 0.00 0.00 54.58 53.11 1o5p n ASN 103 Cb 0.00 3.07 0.00 0.00 -1.02 0.00 0.00 39.78 41.83 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 1.91 3.08 7.41 0.00 -1.26 -3.51 105.19 112.37 1o5p n GLY 104 Ca -0.07 -0.75 -0.30 0.00 0.00 0.00 0.00 46.02 44.90 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 -0.89 -0.80 1.61 -0.02 -1.26 -4.88 135.00 128.76 1o5p n PRO 105 Ca 0.00 -0.26 -0.04 0.00 -2.02 0.00 0.00 63.50 61.19 1o5p n PRO 105 Cb 0.00 -1.31 0.02 0.00 -0.02 0.00 0.00 33.50 32.19 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 0.26 0.40 -4.52 -0.52 0.28 -1.26 -4.51 120.64 110.77 1o5p n GLU 106 Ca 0.00 -0.38 -0.24 0.00 -0.16 0.00 0.00 57.16 56.38 1o5p n GLU 106 Cb 0.59 -0.11 -0.11 0.00 1.43 0.00 0.00 31.44 33.24 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 -2.89 2.24 -0.14 -1.84 0.00 -1.26 -3.39 107.32 100.03 1o5p s GLY 107 Ca 0.10 -2.15 -0.05 0.00 0.00 0.00 0.00 44.72 42.61 1o5p s GLY 107 CO 0.07 -1.93 0.04 0.14 0.00 0.00 0.00 173.10 171.42 1o5p s VAL 108 N -3.04 4.63 -0.17 1.40 1.01 0.16 -4.75 120.40 119.64 1o5p s VAL 108 Ca 0.36 -0.10 -0.29 0.00 0.00 0.00 0.00 61.98 61.94 1o5p s VAL 108 Cb 0.09 -3.04 -0.01 0.00 0.00 0.00 0.00 36.38 33.42 1o5p s VAL 108 CO 0.16 0.52 1.29 0.00 0.00 0.00 0.00 175.10 177.08 1o5p s ALA 109 N -0.15 3.63 0.43 5.51 0.00 -1.26 0.29 121.76 130.21 1o5p s ALA 109 Ca 0.06 0.44 0.06 0.00 0.00 0.00 0.00 51.96 52.53 1o5p s ALA 109 Cb -0.12 -3.65 0.01 0.00 0.00 0.00 0.00 23.12 19.36 1o5p s ALA 109 CO 0.01 -1.26 0.60 0.96 0.00 0.00 0.00 175.76 176.07 1o5p s ILE 110 N 3.64 3.23 0.05 0.00 -4.36 -1.03 -4.83 121.20 117.90 1o5p s ILE 110 Ca 0.56 -0.89 -0.01 0.00 -0.26 0.00 0.00 60.65 60.05 1o5p s ILE 110 Cb -0.22 -3.12 -0.04 0.00 1.25 0.00 0.00 42.46 40.33 1o5p s ILE 110 CO 0.16 -0.06 -0.03 -0.94 0.24 0.00 0.00 174.94 174.31 1o5p s SER 111 N -4.32 0.48 0.01 4.36 1.04 0.20 -4.66 113.70 110.81 1o5p s SER 111 Ca 0.53 -0.88 0.04 0.00 0.48 0.00 0.00 55.95 56.12 1o5p s SER 111 Cb -0.10 0.17 -0.01 0.00 0.10 0.00 0.00 66.02 66.17 1o5p s SER 111 CO 0.34 -0.52 -0.13 -0.36 0.98 0.00 0.00 173.24 173.55 1o5p s PHE 112 N -3.32 1.13 -1.92 5.02 0.40 -1.26 -2.95 117.98 115.07 1o5p s PHE 112 Ca 0.02 -0.28 0.00 0.00 -0.60 0.00 0.00 56.93 56.07 1o5p s PHE 112 Cb 0.04 -0.70 0.00 0.00 0.51 0.00 0.00 43.02 42.87 1o5p s PHE 112 CO -0.08 0.00 0.48 0.27 0.70 0.00 0.00 175.22 176.60