#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 3.40 0.86 0.00 0.00 -1.26 -4.72 121.76 120.04 1o5p s ALA 2 Ca 0.00 -0.51 -0.12 0.00 0.00 0.00 0.00 51.96 51.34 1o5p s ALA 2 Cb 0.00 -2.59 0.12 0.00 0.00 0.00 0.00 23.12 20.64 1o5p s ALA 2 CO 0.00 -0.37 1.18 -2.14 0.00 0.00 0.00 175.76 174.43 1o5p s PRO 3 N -4.76 1.29 0.00 0.00 0.02 -0.44 -4.18 135.00 126.93 1o5p s PRO 3 Ca 0.48 1.68 0.00 0.00 0.02 0.00 0.00 61.00 63.17 1o5p s PRO 3 Cb -0.10 -1.75 0.00 0.00 0.02 0.00 0.00 34.50 32.67 1o5p s PRO 3 CO 0.45 -2.45 0.00 -2.37 -0.33 0.00 0.00 177.00 172.30 1o5p n THR 4 N -3.77 0.00 -3.64 0.99 5.66 0.27 -4.86 114.28 108.93 1o5p n THR 4 Ca 0.13 0.00 -0.04 0.00 -3.05 0.00 0.00 64.05 61.08 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 -2.11 -0.34 1.79 0.00 -1.26 -0.94 121.76 117.91 1o5p s ALA 5 Ca 0.00 2.28 -0.05 0.00 0.00 0.00 0.00 51.96 54.19 1o5p s ALA 5 Cb 0.00 -1.59 0.05 0.00 0.00 0.00 0.00 23.12 21.58 1o5p s ALA 5 CO 0.00 -0.36 0.10 -0.08 0.00 0.00 0.00 175.76 175.42 1o5p s THR 6 N 1.41 3.53 -0.04 0.00 -1.32 -0.01 -4.84 115.64 114.39 1o5p s THR 6 Ca -0.09 -1.32 0.05 0.00 -1.21 0.00 0.00 61.69 59.12 1o5p s THR 6 Cb -0.04 -3.06 -0.03 0.00 -1.51 0.00 0.00 72.50 67.86 1o5p s THR 6 CO -0.16 -0.24 -0.17 -0.69 -2.21 0.00 0.00 174.62 171.15 1o5p s VAL 7 N 1.33 2.85 -0.25 5.08 1.01 -1.26 -0.31 120.40 128.86 1o5p s VAL 7 Ca -0.01 -0.83 -0.29 0.00 0.00 0.00 0.00 61.98 60.85 1o5p s VAL 7 Cb -0.20 -2.10 0.17 0.00 0.00 0.00 0.00 36.38 34.25 1o5p s VAL 7 CO 0.01 0.57 1.25 -0.89 0.00 0.00 0.00 175.10 176.04 1o5p s THR 8 N -0.72 0.00 0.53 3.92 2.01 0.05 -4.50 115.64 116.92 1o5p s THR 8 Ca 0.11 0.00 -0.18 0.00 0.31 0.00 0.00 61.69 61.93 1o5p s THR 8 Cb -0.10 -1.00 -0.07 0.00 0.01 0.00 0.00 72.50 71.34 1o5p s THR 8 CO 0.01 0.00 1.03 -2.16 -0.69 0.00 0.00 174.62 172.81 1o5p s PRO 9 N -1.02 3.67 0.08 4.92 0.05 -1.26 -0.63 135.00 140.81 1o5p s PRO 9 Ca 0.06 1.23 0.18 0.00 0.05 0.00 0.00 61.00 62.52 1o5p s PRO 9 Cb -0.01 -2.08 -0.12 0.00 0.05 0.00 0.00 34.50 32.34 1o5p s PRO 9 CO -0.05 -0.53 0.83 0.43 0.05 0.00 0.00 177.00 177.74 1o5p n SER 10 N -1.42 0.81 -4.21 6.66 7.64 -1.26 -4.74 113.62 117.10 1o5p n SER 10 Ca 0.09 0.35 -0.12 0.00 1.01 0.00 0.00 58.87 60.19 1o5p n SER 10 Cb 0.53 0.29 -0.10 0.00 -1.01 0.00 0.00 64.21 63.92 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 -5.66 0.80 -0.25 6.43 0.01 -1.26 0.57 113.70 114.35 1o5p s SER 11 Ca -0.03 -1.21 -0.01 0.00 1.31 0.00 0.00 55.95 56.01 1o5p s SER 11 Cb 0.09 0.20 0.00 0.00 0.21 0.00 0.00 66.02 66.52 1o5p s SER 11 CO 0.81 -0.66 0.18 0.61 0.41 0.00 0.00 173.24 174.59 1o5p n GLY 12 N -0.19 0.63 0.13 3.44 0.00 -1.14 -4.90 105.19 103.14 1o5p n GLY 12 Ca -0.05 -0.55 -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 -1.19 2.40 -1.09 0.99 4.77 -1.26 -5.06 117.00 116.56 1o5p n LEU 13 Ca -0.00 0.23 0.00 0.00 -0.03 0.00 0.00 56.01 56.20 1o5p n LEU 13 Cb 0.51 -1.01 0.00 0.00 -2.33 0.00 0.00 43.42 40.59 1o5p n LEU 13 CO 0.11 0.68 -0.32 -0.24 -1.33 0.00 0.00 177.39 176.28 1o5p n SER 14 N -3.80 -6.00 -4.47 -1.43 2.88 -1.26 -3.82 113.62 95.71 1o5p n SER 14 Ca -0.37 1.09 -0.47 0.00 -1.33 0.00 0.00 58.87 57.79 1o5p n SER 14 Cb 0.92 -3.09 -0.07 0.00 -0.75 0.00 0.00 64.21 61.21 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 -1.65 1.92 0.00 -3.46 5.75 -1.26 -2.00 116.55 115.86 1o5p n ASP 15 Ca 0.00 0.21 0.00 0.00 -0.01 0.00 0.00 54.79 54.99 1o5p n ASP 15 Cb 0.18 -1.28 0.00 0.00 -1.03 0.00 0.00 41.12 38.99 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 6.44 1.51 0.77 6.12 0.00 -1.26 -5.06 105.19 113.71 1o5p n GLY 16 Ca 0.44 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.41 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 -0.62 0.00 -4.65 2.61 5.66 -0.84 -4.96 114.28 111.47 1o5p n THR 17 Ca 0.00 -0.41 -0.24 0.00 -3.05 0.00 0.00 64.05 60.36 1o5p n THR 17 Cb 0.00 -0.69 -0.16 0.00 -1.55 0.00 0.00 70.33 67.93 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 -0.07 1.16 0.19 1.08 1.01 -1.26 -2.01 120.40 120.50 1o5p s VAL 18 Ca 0.10 -0.58 0.08 0.00 0.00 0.00 0.00 61.98 61.58 1o5p s VAL 18 Cb -0.01 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.33 1o5p s VAL 18 CO 0.06 0.34 -0.01 0.68 0.00 0.00 0.00 175.10 176.17 1o5p s VAL 19 N 0.05 3.63 -0.32 2.92 -7.23 0.19 -4.73 120.40 114.91 1o5p s VAL 19 Ca -0.02 -1.53 -0.04 0.00 -1.81 0.00 0.00 61.98 58.58 1o5p s VAL 19 Cb -0.10 -2.84 0.05 0.00 0.56 0.00 0.00 36.38 34.05 1o5p s VAL 19 CO 0.01 -0.16 0.06 -0.75 -0.31 0.00 0.00 175.10 173.96 1o5p s LYS 20 N -3.06 2.49 -0.09 4.82 2.20 0.20 -0.69 119.74 125.61 1o5p s LYS 20 Ca 0.28 -1.26 -0.04 0.00 -0.36 0.00 0.00 55.97 54.58 1o5p s LYS 20 Cb -0.09 -3.33 -0.04 0.00 -1.51 0.00 0.00 37.83 32.87 1o5p s LYS 20 CO 0.18 -0.67 0.07 0.54 -0.36 0.00 0.00 175.35 175.11 1o5p s VAL 21 N 1.31 4.88 0.10 4.02 0.11 -0.84 -0.77 120.40 129.21 1o5p s VAL 21 Ca -0.03 -0.06 0.02 0.00 -2.93 0.00 0.00 61.98 58.98 1o5p s VAL 21 Cb -0.20 -3.10 -0.04 0.00 -1.53 0.00 0.00 36.38 31.51 1o5p s VAL 21 CO 0.00 0.59 -0.06 0.00 -3.33 0.00 0.00 175.10 172.30 1o5p s ALA 22 N -0.98 1.02 0.03 1.54 0.00 0.58 -1.49 121.76 122.47 1o5p s ALA 22 Ca 0.15 -1.37 0.05 0.00 0.00 0.00 0.00 51.96 50.79 1o5p s ALA 22 Cb -0.12 0.17 -0.02 0.00 0.00 0.00 0.00 23.12 23.16 1o5p s ALA 22 CO 0.04 -0.23 -0.14 0.20 0.00 0.00 0.00 175.76 175.63 1o5p s GLY 23 N -3.06 0.75 -0.11 0.00 0.00 0.30 -0.83 107.32 104.37 1o5p s GLY 23 Ca 0.13 -0.77 -0.05 0.00 0.00 0.00 0.00 44.72 44.03 1o5p s GLY 23 CO -0.04 -0.73 0.25 0.00 0.00 0.00 0.00 173.10 172.58 1o5p s ALA 24 N -0.74 -0.54 0.00 3.20 0.00 -0.11 0.14 121.76 123.71 1o5p s ALA 24 Ca 0.02 0.95 0.00 0.00 0.00 0.00 0.00 51.96 52.93 1o5p s ALA 24 Cb -0.07 -0.81 0.00 0.00 0.00 0.00 0.00 23.12 22.24 1o5p s ALA 24 CO 0.01 -0.41 0.00 0.41 0.00 0.00 0.00 175.76 175.77 1o5p n GLY 25 N 4.78 0.95 3.96 0.00 0.00 -1.01 0.95 105.19 114.82 1o5p n GLY 25 Ca -0.16 -0.53 -0.25 0.00 0.00 0.00 0.00 46.02 45.08 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 2.91 -0.81 0.99 1.43 -0.76 -1.33 118.68 121.11 1o5p s LEU 26 Ca 0.00 0.03 -0.28 0.00 -1.03 0.00 0.00 54.13 52.84 1o5p s LEU 26 Cb 0.00 -2.45 -0.17 0.00 0.03 0.00 0.00 46.19 43.61 1o5p s LEU 26 CO 0.00 -1.90 2.58 0.00 0.23 0.00 0.00 176.35 177.26 1o5p n GLN 27 N -3.00 0.40 -1.30 1.70 3.00 -1.26 -4.05 117.38 112.87 1o5p n GLN 27 Ca 0.12 -0.02 -0.16 0.00 -0.01 0.00 0.00 57.00 56.93 1o5p n GLN 27 Cb 0.60 -2.26 -0.10 0.00 0.00 0.00 0.00 30.24 28.49 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 12.57 0.33 0.00 -1.58 0.00 -1.24 -1.22 120.51 129.36 1o5p n ALA 28 Ca 0.55 -2.05 0.00 0.00 0.00 0.00 0.00 53.44 51.94 1o5p n ALA 28 Cb 0.23 -2.85 0.00 0.00 0.00 0.00 0.00 19.45 16.83 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 5.61 0.47 2.63 0.00 0.00 0.93 -4.83 105.19 110.00 1o5p n GLY 29 Ca 0.34 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.60 -0.14 -0.37 2.61 -4.23 -0.36 -4.88 115.64 107.68 1o5p s THR 30 Ca 0.00 -0.29 -0.36 0.00 -1.18 0.00 0.00 61.69 59.86 1o5p s THR 30 Cb 0.00 -0.69 -0.12 0.00 1.34 0.00 0.00 72.50 73.02 1o5p s THR 30 CO 0.00 -0.37 2.19 0.00 -0.54 0.00 0.00 174.62 175.90 1o5p n ALA 31 N 5.28 0.99 -2.78 3.99 0.00 -1.26 -2.72 120.51 124.01 1o5p n ALA 31 Ca -0.06 -0.03 -0.27 0.00 0.00 0.00 0.00 53.44 53.08 1o5p n ALA 31 Cb 0.48 -2.49 -0.06 0.00 0.00 0.00 0.00 19.45 17.37 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 7.18 3.12 0.31 0.00 1.51 0.14 -4.48 117.35 125.13 1o5p s TYR 32 Ca 1.11 -0.02 0.05 0.00 -1.01 0.00 0.00 57.07 57.20 1o5p s TYR 32 Cb -0.93 -1.52 -0.02 0.00 -0.11 0.00 0.00 41.96 39.39 1o5p s TYR 32 CO 0.51 0.52 0.46 0.34 -1.11 0.00 0.00 175.55 176.26 1o5p s ASP 33 N -2.96 6.12 -0.11 2.29 2.15 0.74 -1.43 116.67 123.46 1o5p s ASP 33 Ca 0.30 0.01 -0.04 0.00 0.43 0.00 0.00 52.55 53.26 1o5p s ASP 33 Cb -0.10 -1.57 0.06 0.00 -0.30 0.00 0.00 42.92 41.01 1o5p s ASP 33 CO 0.23 -0.31 0.14 0.54 -0.17 0.00 0.00 175.17 175.60 1o5p s VAL 34 N -2.15 -0.22 0.13 1.11 0.11 -0.90 -1.40 120.40 117.08 1o5p s VAL 34 Ca 0.41 0.19 -0.12 0.00 -2.93 0.00 0.00 61.98 59.53 1o5p s VAL 34 Cb -0.09 -0.39 0.04 0.00 -1.53 0.00 0.00 36.38 34.41 1o5p s VAL 34 CO 0.31 0.02 0.58 0.61 -3.33 0.00 0.00 175.10 173.29 1o5p n GLY 35 N 5.31 1.00 3.44 6.54 0.00 -0.89 -0.15 105.19 120.44 1o5p n GLY 35 Ca -0.05 -1.08 -0.43 0.00 0.00 0.00 0.00 46.02 44.47 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 2.94 0.07 1.61 -2.07 -1.26 -2.51 119.66 116.41 1o5p s GLN 36 Ca 0.13 -1.06 0.06 0.00 -1.82 0.00 0.00 55.36 52.66 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 -0.76 -0.15 0.00 -1.32 0.00 0.00 175.29 173.10 1o5p s ALA 38 N -1.25 1.59 -0.35 0.00 0.00 -0.72 -1.71 121.76 119.32 1o5p s ALA 38 Ca -0.01 -0.81 -0.17 0.00 0.00 0.00 0.00 51.96 50.98 1o5p s ALA 38 Cb -0.10 -0.42 -0.01 0.00 0.00 0.00 0.00 23.12 22.59 1o5p s ALA 38 CO 0.02 0.37 0.44 -1.58 0.00 0.00 0.00 175.76 175.02 1o5p s TRP 39 N -0.37 3.19 -0.85 0.00 0.51 -1.26 -1.69 118.94 118.47 1o5p s TRP 39 Ca 0.05 0.07 0.16 0.00 -2.12 0.00 0.00 56.10 54.27 1o5p s TRP 39 Cb -0.08 -2.81 0.59 0.00 -0.81 0.00 0.00 33.47 30.36 1o5p s TRP 39 CO -0.00 -0.50 1.51 1.33 -0.51 0.00 0.00 176.95 178.78 1o5p n VAL 40 N 5.34 1.78 -1.61 4.03 0.24 -0.90 -4.75 118.33 122.47 1o5p n VAL 40 Ca -0.07 -1.32 0.00 0.00 -2.04 0.00 0.00 64.34 60.92 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 0.61 0.00 -4.55 -1.34 8.00 -1.26 -4.95 116.55 113.06 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 0.80 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.87 1o5p n ASP 41 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1o5p s THR 42 N -2.49 3.46 0.00 -3.53 2.01 -1.26 -2.90 115.64 110.93 1o5p s THR 42 Ca 0.00 0.08 0.00 0.00 0.31 0.00 0.00 61.69 62.08 1o5p s THR 42 Cb 0.00 -4.18 0.00 0.00 0.01 0.00 0.00 72.50 68.33 1o5p s THR 42 CO 0.00 -1.13 0.00 0.61 -0.69 0.00 0.00 174.62 173.41 1o5p n GLY 43 N 5.93 0.70 3.12 4.40 0.00 -1.26 -5.05 105.19 113.03 1o5p n GLY 43 Ca 0.22 -0.72 -0.34 0.00 0.00 0.00 0.00 46.02 45.18 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 2.76 -0.34 1.61 1.01 -1.14 -4.99 120.40 117.30 1o5p s VAL 44 Ca 0.00 -1.73 -0.00 0.00 0.00 0.00 0.00 61.98 60.25 1o5p s VAL 44 Cb 0.00 -2.73 0.08 0.00 0.00 0.00 0.00 36.38 33.73 1o5p s VAL 44 CO 0.00 -0.28 0.06 -0.22 0.00 0.00 0.00 175.10 174.66 1o5p s LEU 45 N 1.14 4.47 -0.42 3.92 2.96 -1.26 -2.11 118.68 127.37 1o5p s LEU 45 Ca -0.01 -1.72 -0.16 0.00 -0.22 0.00 0.00 54.13 52.02 1o5p s LEU 45 Cb -0.20 -1.72 0.03 0.00 0.50 0.00 0.00 46.19 44.80 1o5p s LEU 45 CO -0.04 -0.37 0.39 0.00 -1.32 0.00 0.00 176.35 175.01 1o5p s ALA 46 N 1.13 3.46 0.36 5.97 0.00 -0.69 -3.49 121.76 128.50 1o5p s ALA 46 Ca 0.02 -1.65 0.08 0.00 0.00 0.00 0.00 51.96 50.41 1o5p s ALA 46 Cb -0.21 -3.00 -0.03 0.00 0.00 0.00 0.00 23.12 19.88 1o5p s ALA 46 CO -0.04 -1.57 0.28 0.00 0.00 0.00 0.00 175.76 174.44 1o5p s ASN 48 N -4.00 4.33 0.00 0.00 2.47 -0.88 -1.14 114.94 115.71 1o5p s ASN 48 Ca 0.42 -0.25 0.00 0.00 0.42 0.00 0.00 52.86 53.45 1o5p s ASN 48 Cb -0.04 -1.68 0.00 0.00 -1.45 0.00 0.00 41.25 38.08 1o5p s ASN 48 CO 0.26 0.16 0.32 -0.81 -3.72 0.00 0.00 177.10 173.31 1o5p n PRO 49 N 3.55 0.58 -0.07 0.43 -0.05 -1.26 -2.90 135.00 135.28 1o5p n PRO 49 Ca -0.18 0.00 0.06 0.00 -0.05 0.00 0.00 63.50 63.33 1o5p n PRO 49 Cb 0.53 -1.28 0.09 0.00 -0.05 0.00 0.00 33.50 32.79 1o5p n PRO 49 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 1o5p n ALA 50 N 0.26 2.38 -1.64 0.55 0.00 -1.26 -4.36 120.51 116.44 1o5p n ALA 50 Ca 0.00 -0.80 0.01 0.00 0.00 0.00 0.00 53.44 52.65 1o5p n ALA 50 Cb 0.16 -0.45 0.01 0.00 0.00 0.00 0.00 19.45 19.17 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 0.68 0.19 -4.56 0.00 5.75 -1.14 -2.40 116.55 115.07 1o5p n ASP 51 Ca 0.09 -1.81 -0.42 0.00 -0.01 0.00 0.00 54.79 52.65 1o5p n ASP 51 Cb 0.36 -0.16 -0.02 0.00 -1.03 0.00 0.00 41.12 40.27 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 -0.20 2.62 0.00 2.11 0.40 -1.25 -3.09 117.98 118.58 1o5p s PHE 52 Ca 0.02 -1.05 0.00 0.00 -0.60 0.00 0.00 56.93 55.30 1o5p s PHE 52 Cb 0.02 -4.69 0.00 0.00 0.51 0.00 0.00 43.02 38.86 1o5p s PHE 52 CO 0.00 -1.88 0.00 0.43 0.70 0.00 0.00 175.22 174.47 1o5p n SER 53 N 8.63 0.42 0.00 1.36 7.64 0.79 -4.90 113.62 127.55 1o5p n SER 53 Ca 0.36 -0.58 0.00 0.00 1.01 0.00 0.00 58.87 59.66 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 -1.50 0.00 -3.59 6.43 2.88 -1.26 -2.12 113.62 114.46 1o5p n SER 54 Ca 0.00 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.42 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 -0.71 0.04 -0.05 2.46 0.11 -0.52 -4.97 120.40 116.76 1o5p s VAL 55 Ca 0.00 -0.35 -0.07 0.00 -2.93 0.00 0.00 61.98 58.63 1o5p s VAL 55 Cb 0.00 -1.03 -0.04 0.00 -1.53 0.00 0.00 36.38 33.77 1o5p s VAL 55 CO 0.00 -0.19 0.21 -0.89 -3.33 0.00 0.00 175.10 170.90 1o5p s THR 56 N -3.05 5.39 -0.35 5.04 2.01 -1.26 0.28 115.64 123.70 1o5p s THR 56 Ca -0.02 0.20 -0.28 0.00 0.31 0.00 0.00 61.69 61.90 1o5p s THR 56 Cb 0.00 -3.50 -0.04 0.00 0.01 0.00 0.00 72.50 68.97 1o5p s THR 56 CO -0.07 0.49 2.11 0.00 -0.69 0.00 0.00 174.62 176.46 1o5p s ALA 57 N -1.16 2.47 0.00 7.40 0.00 -1.10 -4.70 121.76 124.67 1o5p s ALA 57 Ca 0.21 0.32 0.00 0.00 0.00 0.00 0.00 51.96 52.50 1o5p s ALA 57 Cb -0.13 -4.14 0.00 0.00 0.00 0.00 0.00 23.12 18.85 1o5p s ALA 57 CO 0.11 -3.22 0.00 -0.40 0.00 0.00 0.00 175.76 172.25 1o5p n ASP 58 N 12.32 0.00 -0.11 0.00 5.75 -1.26 0.31 116.55 133.56 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 0.48 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 -2.00 0.18 0.00 2.12 0.00 -1.92 -3.10 119.26 114.54 1o5p h ALA 59 Ca 0.00 0.15 -0.31 0.00 0.00 0.00 0.00 54.91 54.75 1o5p h ALA 59 Cb 0.00 0.39 -0.06 0.00 0.00 0.00 0.00 17.79 18.12 1o5p h ALA 59 CO 0.00 -0.51 -2.17 0.09 0.00 0.00 0.00 179.25 176.66 1o5p n ASN 60 N -5.34 1.35 0.00 0.00 3.02 -1.26 -4.55 115.26 108.47 1o5p n ASN 60 Ca 0.02 -0.04 0.00 0.00 -0.03 0.00 0.00 54.58 54.53 1o5p n ASN 60 Cb 0.25 0.52 0.00 0.00 -0.61 0.00 0.00 39.78 39.94 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 2.13 0.72 3.66 7.41 0.00 -1.17 -1.82 105.19 116.11 1o5p n GLY 61 Ca -0.31 -0.77 -0.35 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 -1.23 5.86 -0.19 1.61 0.01 -1.25 -2.39 113.70 116.11 1o5p s SER 62 Ca 0.00 0.11 -0.04 0.00 1.31 0.00 0.00 55.95 57.33 1o5p s SER 62 Cb 0.00 -2.03 0.06 0.00 0.21 0.00 0.00 66.02 64.27 1o5p s SER 62 CO 0.00 0.14 0.07 0.00 0.41 0.00 0.00 173.24 173.86 1o5p s ALA 63 N 0.58 0.69 -0.18 1.44 0.00 0.12 -4.60 121.76 119.82 1o5p s ALA 63 Ca 0.05 -0.56 0.01 0.00 0.00 0.00 0.00 51.96 51.46 1o5p s ALA 63 Cb -0.12 -1.14 0.02 0.00 0.00 0.00 0.00 23.12 21.88 1o5p s ALA 63 CO 0.01 -1.23 -0.17 -1.12 0.00 0.00 0.00 175.76 173.25 1o5p s SER 64 N 2.01 3.11 -0.03 0.00 0.01 -1.26 0.11 113.70 117.65 1o5p s SER 64 Ca 0.02 -0.67 -0.07 0.00 1.31 0.00 0.00 55.95 56.54 1o5p s SER 64 Cb -0.16 -1.38 0.01 0.00 0.21 0.00 0.00 66.02 64.69 1o5p s SER 64 CO -0.11 -0.04 0.16 0.28 0.41 0.00 0.00 173.24 173.94 1o5p s THR 65 N 1.34 0.04 0.02 1.44 -1.32 -0.55 -4.99 115.64 111.62 1o5p s THR 65 Ca 0.04 -0.35 -0.03 0.00 -1.21 0.00 0.00 61.69 60.13 1o5p s THR 65 Cb -0.14 -0.35 -0.04 0.00 -1.51 0.00 0.00 72.50 70.46 1o5p s THR 65 CO -0.12 -0.19 0.23 -0.94 -2.21 0.00 0.00 174.62 171.39 1o5p s SER 66 N -0.67 6.41 0.18 8.08 1.04 -1.26 -1.99 113.70 125.49 1o5p s SER 66 Ca -0.08 0.41 -0.08 0.00 0.48 0.00 0.00 55.95 56.68 1o5p s SER 66 Cb -0.04 -2.02 -0.01 0.00 0.10 0.00 0.00 66.02 64.04 1o5p s SER 66 CO 0.01 0.23 0.28 -1.48 0.98 0.00 0.00 173.24 173.25 1o5p s LEU 67 N -2.06 0.94 -0.21 2.42 0.05 0.13 -4.95 118.68 115.00 1o5p s LEU 67 Ca 0.30 -0.98 -0.15 0.00 0.05 0.00 0.00 54.13 53.35 1o5p s LEU 67 Cb -0.13 1.11 -0.04 0.00 -2.05 0.00 0.00 46.19 45.08 1o5p s LEU 67 CO 0.20 -0.92 0.36 0.42 -0.55 0.00 0.00 176.35 175.87 1o5p s THR 68 N -4.01 5.22 0.01 5.48 -4.23 -1.01 0.58 115.64 117.67 1o5p s THR 68 Ca 0.22 0.62 0.01 0.00 -1.18 0.00 0.00 61.69 61.36 1o5p s THR 68 Cb 0.03 -3.69 -0.01 0.00 1.34 0.00 0.00 72.50 70.17 1o5p s THR 68 CO 0.03 0.26 -0.04 0.68 -0.54 0.00 0.00 174.62 175.01 1o5p s VAL 69 N 1.33 0.27 0.00 2.29 -7.23 -0.85 -4.04 120.40 112.17 1o5p s VAL 69 Ca 0.17 -0.36 0.00 0.00 -1.81 0.00 0.00 61.98 59.98 1o5p s VAL 69 Cb -0.15 -0.27 0.00 0.00 0.56 0.00 0.00 36.38 36.52 1o5p s VAL 69 CO 0.08 -0.06 0.00 -2.11 -0.31 0.00 0.00 175.10 172.69 1o5p n ARG 70 N 2.61 0.00 0.00 4.82 1.85 -1.26 -4.18 116.66 120.50 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 -2.21 2.89 1.74 -1.26 -4.69 116.66 113.14 1o5p n ARG 71 Ca 0.00 0.10 -0.41 0.00 -0.77 0.00 0.00 57.85 56.77 1o5p n ARG 71 Cb 0.00 -0.81 -0.03 0.00 -1.02 0.00 0.00 32.46 30.60 1o5p n ARG 71 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1o5p s SER 72 N -1.65 6.89 -0.28 0.55 1.04 -1.26 -0.26 113.70 118.73 1o5p s SER 72 Ca 0.00 2.50 -0.19 0.00 0.48 0.00 0.00 55.95 58.75 1o5p s SER 72 Cb 0.00 -2.63 0.08 0.00 0.10 0.00 0.00 66.02 63.57 1o5p s SER 72 CO 0.00 -0.48 0.72 0.72 0.98 0.00 0.00 173.24 175.18 1o5p s PHE 73 N -0.55 -0.95 -0.20 5.02 -0.71 -0.77 -4.85 117.98 114.96 1o5p s PHE 73 Ca 0.52 2.00 -0.23 0.00 -1.04 0.00 0.00 56.93 58.18 1o5p s PHE 73 Cb -0.37 0.52 -0.10 0.00 -1.21 0.00 0.00 43.02 41.86 1o5p s PHE 73 CO 0.44 -0.47 0.76 0.39 -1.34 0.00 0.00 175.22 175.00 1o5p n GLU 74 N 3.81 0.00 -1.15 1.99 4.71 -1.26 -1.81 120.64 126.94 1o5p n GLU 74 Ca -0.18 0.00 -0.20 0.00 -0.01 0.00 0.00 57.16 56.77 1o5p n GLU 74 Cb 0.58 -0.76 -0.02 0.00 -1.01 0.00 0.00 31.44 30.23 1o5p n GLU 74 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1o5p n GLY 75 N 1.78 4.08 3.26 0.62 0.00 -0.26 -3.02 105.19 111.65 1o5p n GLY 75 Ca 0.15 -1.42 -0.60 0.00 0.00 0.00 0.00 46.02 44.15 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 0.77 1.30 -3.07 1.61 3.01 -0.29 -2.18 117.46 118.61 1o5p n PHE 76 Ca 0.38 0.86 -0.40 0.00 1.01 0.00 0.00 57.45 59.30 1o5p n PHE 76 Cb 0.59 -2.15 -0.05 0.00 -0.01 0.00 0.00 39.48 37.86 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 4.69 4.25 -0.30 4.37 2.96 -0.73 -1.85 118.68 132.07 1o5p s LEU 77 Ca 1.09 1.05 -0.02 0.00 -0.22 0.00 0.00 54.13 56.03 1o5p s LEU 77 Cb -1.42 -3.01 -0.03 0.00 0.50 0.00 0.00 46.19 42.23 1o5p s LEU 77 CO 0.68 -0.18 1.40 0.33 -1.32 0.00 0.00 176.35 177.26 1o5p n PHE 78 N 4.29 0.44 -2.00 5.38 7.35 -1.23 -2.89 117.46 128.80 1o5p n PHE 78 Ca -0.01 -0.94 0.00 0.00 -0.76 0.00 0.00 57.45 55.74 1o5p n PHE 78 Cb 0.51 -0.96 0.00 0.00 0.35 0.00 0.00 39.48 39.38 1o5p n PHE 78 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 1o5p n ASP 79 N 4.34 0.00 0.00 -2.13 2.03 -1.26 -4.98 116.55 114.55 1o5p n ASP 79 Ca 0.16 -1.00 0.00 0.00 0.52 0.00 0.00 54.79 54.47 1o5p n ASP 79 Cb 0.08 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.48 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 2.81 3.93 0.27 0.00 -1.14 -4.99 105.19 106.07 1o5p n GLY 80 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 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 5.08 -0.14 2.61 -4.23 -1.26 -4.96 115.64 111.66 1o5p s THR 81 Ca 0.00 -0.30 -0.05 0.00 -1.18 0.00 0.00 61.69 60.16 1o5p s THR 81 Cb 0.00 -3.83 -0.04 0.00 1.34 0.00 0.00 72.50 69.97 1o5p s THR 81 CO 0.00 -0.51 0.03 0.00 -0.54 0.00 0.00 174.62 173.60 1o5p s ARG 82 N -4.14 3.59 0.40 3.99 1.70 -1.26 -1.77 118.95 121.47 1o5p s ARG 82 Ca 0.41 -0.38 0.23 0.00 -0.47 0.00 0.00 55.73 55.53 1o5p s ARG 82 Cb -0.10 -3.03 0.35 0.00 -0.57 0.00 0.00 34.95 31.59 1o5p s ARG 82 CO 0.35 0.43 1.57 2.35 -1.08 0.00 0.00 175.30 178.92 1o5p h TRP 83 N 6.11 0.00 0.00 5.89 7.01 -1.76 -3.46 115.95 129.74 1o5p h TRP 83 Ca -0.41 0.00 0.00 0.00 2.11 0.00 0.00 58.89 60.59 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 0.00 0.00 0.41 -2.79 0.00 0.00 178.44 176.65 1o5p n GLY 84 N 1.13 1.59 3.60 2.65 0.00 -1.26 -4.92 105.19 107.98 1o5p n GLY 84 Ca 0.04 -2.17 -0.43 0.00 0.00 0.00 0.00 46.02 43.46 1o5p n GLY 84 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1o5p s THR 85 N -1.59 3.18 -0.63 2.61 -4.23 -1.26 -1.10 115.64 112.61 1o5p s THR 85 Ca 0.00 0.18 -0.26 0.00 -1.18 0.00 0.00 61.69 60.43 1o5p s THR 85 Cb 0.00 -3.23 0.04 0.00 1.34 0.00 0.00 72.50 70.65 1o5p s THR 85 CO 0.00 -0.14 1.15 -0.69 -0.54 0.00 0.00 174.62 174.40 1o5p s VAL 86 N 7.60 4.03 -0.28 2.29 1.01 -0.75 -4.75 120.40 129.56 1o5p s VAL 86 Ca 0.93 0.50 -0.29 0.00 0.00 0.00 0.00 61.98 63.13 1o5p s VAL 86 Cb -0.30 -4.75 -0.03 0.00 0.00 0.00 0.00 36.38 31.31 1o5p s VAL 86 CO 0.35 -1.47 1.82 -1.81 0.00 0.00 0.00 175.10 173.98 1o5p s ASP 87 N 3.25 5.96 0.00 3.32 1.11 -1.26 -1.84 116.67 127.21 1o5p s ASP 87 Ca 0.36 1.49 0.05 0.00 0.18 0.00 0.00 52.55 54.62 1o5p s ASP 87 Cb -0.10 -2.53 0.23 0.00 1.07 0.00 0.00 42.92 41.59 1o5p s ASP 87 CO 0.19 -1.62 0.99 0.00 1.18 0.00 0.00 175.17 175.91 1o5p n THR 89 N -1.30 0.00 -0.04 0.00 -2.24 -1.26 -4.05 114.28 105.38 1o5p n THR 89 Ca 0.02 -0.11 -0.09 0.00 -2.27 0.00 0.00 64.05 61.60 1o5p n THR 89 Cb 0.04 -0.04 -0.03 0.00 -2.10 0.00 0.00 70.33 68.20 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 -0.49 0.47 -3.52 4.28 -2.24 0.04 -5.07 114.28 107.75 1o5p n THR 90 Ca 0.21 -0.12 -0.21 0.00 -2.27 0.00 0.00 64.05 61.66 1o5p n THR 90 Cb 0.23 -1.59 0.02 0.00 -2.10 0.00 0.00 70.33 66.89 1o5p n THR 90 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1o5p n ALA 91 N -3.36 0.89 -2.95 6.98 0.00 -1.18 -5.09 120.51 115.80 1o5p n ALA 91 Ca -0.17 -1.93 -0.38 0.00 0.00 0.00 0.00 53.44 50.96 1o5p n ALA 91 Cb 0.62 0.69 -0.12 0.00 0.00 0.00 0.00 19.45 20.64 1o5p n ALA 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1o5p s ALA 92 N -2.67 3.22 -0.24 0.00 0.00 -1.26 -4.71 121.76 116.10 1o5p s ALA 92 Ca 0.38 -1.40 -0.13 0.00 0.00 0.00 0.00 51.96 50.81 1o5p s ALA 92 Cb -0.03 -2.32 -0.04 0.00 0.00 0.00 0.00 23.12 20.73 1o5p s ALA 92 CO 0.24 -0.90 0.30 0.00 0.00 0.00 0.00 175.76 175.40 1o5p s GLN 94 N 1.51 3.12 -0.39 0.00 -0.21 -0.69 -2.55 119.66 120.44 1o5p s GLN 94 Ca 0.13 -0.50 -0.13 0.00 0.02 0.00 0.00 55.36 54.88 1o5p s GLN 94 Cb -0.15 -2.88 0.02 0.00 1.00 0.00 0.00 33.01 31.00 1o5p s GLN 94 CO 0.08 0.63 0.26 0.08 -2.12 0.00 0.00 175.29 174.22 1o5p s VAL 95 N -1.28 4.94 0.01 1.09 1.01 0.13 -2.27 120.40 124.03 1o5p s VAL 95 Ca 0.26 -0.76 -0.00 0.00 0.00 0.00 0.00 61.98 61.48 1o5p s VAL 95 Cb -0.12 -3.76 0.00 0.00 0.00 0.00 0.00 36.38 32.50 1o5p s VAL 95 CO 0.18 -0.28 0.02 0.61 0.00 0.00 0.00 175.10 175.62 1o5p n GLY 96 N 5.08 3.10 3.68 4.51 0.00 -1.05 0.23 105.19 120.75 1o5p n GLY 96 Ca -0.11 -1.38 -0.30 0.00 0.00 0.00 0.00 46.02 44.22 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 2.29 -0.01 0.99 1.02 -1.23 -2.10 118.68 119.64 1o5p s LEU 97 Ca 0.01 -1.62 -0.29 0.00 0.02 0.00 0.00 54.13 52.25 1o5p s LEU 97 Cb -0.00 -0.59 0.10 0.00 0.02 0.00 0.00 46.19 45.72 1o5p s LEU 97 CO 0.01 -0.82 1.28 -0.44 0.02 0.00 0.00 176.35 176.40 1o5p s SER 98 N -3.78 -0.01 0.00 2.29 0.01 -0.49 -4.16 113.70 107.56 1o5p s SER 98 Ca 0.14 -0.19 0.00 0.00 1.31 0.00 0.00 55.95 57.21 1o5p s SER 98 Cb 0.03 0.16 0.00 0.00 0.21 0.00 0.00 66.02 66.42 1o5p s SER 98 CO 0.08 -0.31 0.00 -0.90 0.41 0.00 0.00 173.24 172.52 1o5p n ASP 99 N -0.89 1.20 -1.56 2.44 5.75 -1.25 0.26 116.55 122.51 1o5p n ASP 99 Ca -0.01 0.00 -0.14 0.00 -0.01 0.00 0.00 54.79 54.63 1o5p n ASP 99 Cb 0.60 0.00 0.10 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 4.68 -0.05 2.12 0.00 -1.26 -4.62 120.51 118.38 1o5p n ALA 100 Ca 0.00 -3.55 -0.05 0.00 0.00 0.00 0.00 53.44 49.84 1o5p n ALA 100 Cb 0.00 -0.51 -0.07 0.00 0.00 0.00 0.00 19.45 18.88 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 1.77 0.00 0.00 0.00 -1.26 -5.01 120.51 115.12 1o5p n ALA 101 Ca 0.38 -0.57 0.00 0.00 0.00 0.00 0.00 53.44 53.24 1o5p n ALA 101 Cb 0.89 0.10 0.00 0.00 0.00 0.00 0.00 19.45 20.44 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 2.58 1.09 2.78 0.00 0.00 -1.26 -5.14 105.19 105.24 1o5p n GLY 102 Ca -0.16 -0.08 -0.03 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.36 -0.14 1.61 5.03 -1.26 -5.01 115.26 114.13 1o5p n ASN 103 Ca 0.00 -1.78 0.00 0.00 0.87 0.00 0.00 54.58 53.67 1o5p n ASN 103 Cb 0.00 2.22 0.00 0.00 -1.02 0.00 0.00 39.78 40.98 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 2.03 2.98 7.41 0.00 -1.26 -3.88 105.19 111.97 1o5p n GLY 104 Ca -0.03 -0.73 -0.18 0.00 0.00 0.00 0.00 46.02 45.09 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 -1.49 -0.63 1.61 -0.02 -1.26 -4.91 135.00 128.29 1o5p n PRO 105 Ca 0.00 -0.44 0.00 0.00 -2.02 0.00 0.00 63.50 61.04 1o5p n PRO 105 Cb 0.00 -1.34 0.00 0.00 -0.02 0.00 0.00 33.50 32.14 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 -0.54 0.89 -4.43 -0.52 0.28 -1.26 -4.61 120.64 110.45 1o5p n GLU 106 Ca 0.03 0.00 -0.22 0.00 -0.16 0.00 0.00 57.16 56.82 1o5p n GLU 106 Cb 0.34 0.00 -0.10 0.00 1.43 0.00 0.00 31.44 33.11 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 -2.15 1.78 -0.19 -1.84 0.00 -1.26 -3.52 107.32 100.14 1o5p s GLY 107 Ca 0.00 -1.86 -0.11 0.00 0.00 0.00 0.00 44.72 42.74 1o5p s GLY 107 CO 0.00 -1.87 0.19 0.14 0.00 0.00 0.00 173.10 171.56 1o5p s VAL 108 N -2.87 5.37 -0.08 1.40 1.01 0.14 -4.70 120.40 120.67 1o5p s VAL 108 Ca 0.28 0.31 -0.30 0.00 0.00 0.00 0.00 61.98 62.28 1o5p s VAL 108 Cb 0.01 -3.53 -0.03 0.00 0.00 0.00 0.00 36.38 32.83 1o5p s VAL 108 CO 0.12 0.41 1.35 0.00 0.00 0.00 0.00 175.10 176.98 1o5p s ALA 109 N 0.47 3.60 0.47 5.51 0.00 -1.26 0.20 121.76 130.75 1o5p s ALA 109 Ca 0.11 0.68 0.06 0.00 0.00 0.00 0.00 51.96 52.80 1o5p s ALA 109 Cb -0.12 -3.61 0.02 0.00 0.00 0.00 0.00 23.12 19.41 1o5p s ALA 109 CO 0.00 -1.06 0.64 0.96 0.00 0.00 0.00 175.76 176.31 1o5p s ILE 110 N 3.04 2.86 0.08 0.00 -4.36 -1.06 -4.86 121.20 116.90 1o5p s ILE 110 Ca 0.60 -0.90 0.02 0.00 -0.26 0.00 0.00 60.65 60.12 1o5p s ILE 110 Cb -0.27 -2.96 -0.03 0.00 1.25 0.00 0.00 42.46 40.45 1o5p s ILE 110 CO 0.21 0.00 -0.08 -0.55 0.24 0.00 0.00 174.94 174.77 1o5p s SER 111 N -4.39 1.10 -0.23 4.36 0.15 0.19 -4.75 113.70 110.14 1o5p s SER 111 Ca 0.56 -0.79 -0.01 0.00 0.70 0.00 0.00 55.95 56.41 1o5p s SER 111 Cb -0.10 0.05 0.07 0.00 -1.71 0.00 0.00 66.02 64.33 1o5p s SER 111 CO 0.35 -0.32 0.02 -0.36 1.20 0.00 0.00 173.24 174.13 1o5p s PHE 112 N -2.49 1.58 -2.27 3.44 0.08 -1.26 -2.91 117.98 114.16 1o5p s PHE 112 Ca 0.02 -1.30 0.30 0.00 0.12 0.00 0.00 56.93 56.07 1o5p s PHE 112 Cb -0.02 -1.33 1.45 0.00 -0.57 0.00 0.00 43.02 42.55 1o5p s PHE 112 CO -0.02 -0.71 1.97 0.27 -0.10 0.00 0.00 175.22 176.64