#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1o5p s ALA 2 N 0.00 2.28 0.84 0.00 0.00 -1.26 -4.97 121.76 118.65 1o5p s ALA 2 Ca 0.00 -1.39 -0.12 0.00 0.00 0.00 0.00 51.96 50.44 1o5p s ALA 2 Cb 0.00 -0.39 0.10 0.00 0.00 0.00 0.00 23.12 22.83 1o5p s ALA 2 CO 0.00 0.52 1.19 -2.14 0.00 0.00 0.00 175.76 175.33 1o5p s PRO 3 N -1.84 1.45 0.00 0.00 0.02 -0.51 -4.10 135.00 130.02 1o5p s PRO 3 Ca 0.13 1.70 0.00 0.00 0.02 0.00 0.00 61.00 62.84 1o5p s PRO 3 Cb -0.10 -1.76 0.00 0.00 0.02 0.00 0.00 34.50 32.66 1o5p s PRO 3 CO 0.05 -2.34 0.00 -2.37 -0.33 0.00 0.00 177.00 172.01 1o5p n THR 4 N -3.57 0.00 -3.64 0.99 5.66 0.28 -4.85 114.28 109.15 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 -2.08 -0.47 1.79 0.00 -1.25 -0.88 121.76 117.88 1o5p s ALA 5 Ca 0.00 2.14 -0.14 0.00 0.00 0.00 0.00 51.96 53.97 1o5p s ALA 5 Cb 0.00 -1.54 0.08 0.00 0.00 0.00 0.00 23.12 21.66 1o5p s ALA 5 CO 0.00 -0.32 0.37 0.95 0.00 0.00 0.00 175.76 176.76 1o5p s THR 6 N 1.02 4.98 -0.23 0.00 -4.23 0.24 -4.77 115.64 112.66 1o5p s THR 6 Ca -0.05 -1.20 0.01 0.00 -1.18 0.00 0.00 61.69 59.27 1o5p s THR 6 Cb -0.04 -4.02 0.03 0.00 1.34 0.00 0.00 72.50 69.81 1o5p s THR 6 CO -0.12 -0.60 -0.13 -0.69 -0.54 0.00 0.00 174.62 172.54 1o5p s VAL 7 N 1.58 2.34 -0.10 2.29 1.01 -1.24 0.13 120.40 126.41 1o5p s VAL 7 Ca 0.04 -1.19 -0.30 0.00 0.00 0.00 0.00 61.98 60.53 1o5p s VAL 7 Cb -0.25 -2.17 0.07 0.00 0.00 0.00 0.00 36.38 34.03 1o5p s VAL 7 CO 0.05 0.26 0.70 -0.89 0.00 0.00 0.00 175.10 175.21 1o5p s THR 8 N 1.24 0.00 0.50 3.92 2.01 -0.58 -4.32 115.64 118.42 1o5p s THR 8 Ca -0.01 0.00 -0.19 0.00 0.31 0.00 0.00 61.69 61.81 1o5p s THR 8 Cb -0.16 -1.00 -0.08 0.00 0.01 0.00 0.00 72.50 71.27 1o5p s THR 8 CO -0.08 0.00 1.01 -2.16 -0.69 0.00 0.00 174.62 172.70 1o5p s PRO 9 N -0.85 3.82 0.07 4.92 0.05 -1.26 -1.31 135.00 140.44 1o5p s PRO 9 Ca -0.08 1.18 0.17 0.00 0.05 0.00 0.00 61.00 62.31 1o5p s PRO 9 Cb -0.01 -2.11 -0.13 0.00 0.05 0.00 0.00 34.50 32.30 1o5p s PRO 9 CO 0.08 -0.39 0.85 0.66 0.05 0.00 0.00 177.00 178.25 1o5p h SER 10 N 1.25 0.00 -4.84 6.66 4.64 -1.90 -3.45 113.55 115.90 1o5p h SER 10 Ca -0.48 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 60.55 1o5p h SER 10 Cb 1.20 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.15 1o5p h SER 10 CO 0.60 0.58 -0.63 -0.44 -0.87 0.00 0.00 176.83 176.07 1o5p s SER 11 N -5.81 0.87 -0.33 4.97 0.01 -1.26 0.42 113.70 112.57 1o5p s SER 11 Ca -0.03 -1.31 -0.02 0.00 1.31 0.00 0.00 55.95 55.91 1o5p s SER 11 Cb 0.09 0.21 0.00 0.00 0.21 0.00 0.00 66.02 66.53 1o5p s SER 11 CO 0.81 -0.71 0.22 0.61 0.41 0.00 0.00 173.24 174.58 1o5p n GLY 12 N -0.32 0.53 0.13 3.44 0.00 -1.13 -4.90 105.19 102.94 1o5p n GLY 12 Ca -0.02 -0.51 -0.21 0.00 0.00 0.00 0.00 46.02 45.28 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 -1.37 2.52 -0.90 0.99 4.77 -1.26 -5.06 117.00 116.70 1o5p n LEU 13 Ca -0.01 0.18 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 1o5p n LEU 13 Cb 0.52 -1.02 0.00 0.00 -2.33 0.00 0.00 43.42 40.59 1o5p n LEU 13 CO 0.13 0.75 -0.26 -0.24 -1.33 0.00 0.00 177.39 176.44 1o5p n SER 14 N -3.67 -5.16 -4.47 -1.43 2.88 -1.26 -3.88 113.62 96.63 1o5p n SER 14 Ca -0.37 0.79 -0.46 0.00 -1.33 0.00 0.00 58.87 57.50 1o5p n SER 14 Cb 0.96 -2.32 -0.08 0.00 -0.75 0.00 0.00 64.21 62.02 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 -1.24 1.79 0.00 -3.46 5.75 -1.26 -1.96 116.55 116.18 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 0.07 -1.26 0.00 0.00 -1.03 0.00 0.00 41.12 38.90 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 6.45 1.55 0.89 6.12 0.00 -1.26 -5.05 105.19 113.88 1o5p n GLY 16 Ca 0.45 0.00 -0.05 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 -0.43 0.00 -4.60 2.61 5.66 -0.83 -4.96 114.28 111.73 1o5p n THR 17 Ca 0.00 -0.48 -0.22 0.00 -3.05 0.00 0.00 64.05 60.30 1o5p n THR 17 Cb 0.00 -0.58 -0.15 0.00 -1.55 0.00 0.00 70.33 68.05 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 -0.33 1.05 0.19 1.08 1.01 -1.26 -1.95 120.40 120.20 1o5p s VAL 18 Ca 0.10 -0.55 0.09 0.00 0.00 0.00 0.00 61.98 61.62 1o5p s VAL 18 Cb -0.01 -0.89 -0.04 0.00 0.00 0.00 0.00 36.38 35.44 1o5p s VAL 18 CO 0.06 0.30 -0.08 0.68 0.00 0.00 0.00 175.10 176.06 1o5p s VAL 19 N -0.14 3.21 -0.37 2.92 -7.23 0.14 -4.78 120.40 114.15 1o5p s VAL 19 Ca 0.02 -1.71 -0.09 0.00 -1.81 0.00 0.00 61.98 58.39 1o5p s VAL 19 Cb -0.07 -2.61 0.04 0.00 0.56 0.00 0.00 36.38 34.30 1o5p s VAL 19 CO 0.00 -0.16 0.17 -0.75 -0.31 0.00 0.00 175.10 174.06 1o5p s LYS 20 N -2.97 2.68 -0.23 4.82 2.20 -0.42 -1.09 119.74 124.74 1o5p s LYS 20 Ca 0.26 -1.21 -0.07 0.00 -0.36 0.00 0.00 55.97 54.59 1o5p s LYS 20 Cb -0.08 -3.63 -0.03 0.00 -1.51 0.00 0.00 37.83 32.58 1o5p s LYS 20 CO 0.16 -0.74 0.06 0.54 -0.36 0.00 0.00 175.35 175.01 1o5p s VAL 21 N 1.46 4.42 0.36 4.02 0.11 -0.85 -1.52 120.40 128.40 1o5p s VAL 21 Ca 0.01 -0.15 0.09 0.00 -2.93 0.00 0.00 61.98 59.00 1o5p s VAL 21 Cb -0.20 -3.04 -0.06 0.00 -1.53 0.00 0.00 36.38 31.55 1o5p s VAL 21 CO 0.04 0.38 0.00 0.00 -3.33 0.00 0.00 175.10 172.19 1o5p s ALA 22 N 1.21 3.18 0.01 1.54 0.00 0.34 -2.30 121.76 125.74 1o5p s ALA 22 Ca 0.04 -2.09 0.03 0.00 0.00 0.00 0.00 51.96 49.95 1o5p s ALA 22 Cb -0.14 -0.18 -0.01 0.00 0.00 0.00 0.00 23.12 22.79 1o5p s ALA 22 CO 0.03 0.00 -0.11 0.20 0.00 0.00 0.00 175.76 175.89 1o5p s GLY 23 N -3.71 0.57 -0.13 0.00 0.00 0.36 -0.59 107.32 103.82 1o5p s GLY 23 Ca 0.35 -0.57 -0.05 0.00 0.00 0.00 0.00 44.72 44.45 1o5p s GLY 23 CO 0.19 -0.52 0.27 0.00 0.00 0.00 0.00 173.10 173.04 1o5p s ALA 24 N -0.50 -0.60 0.00 3.20 0.00 -0.05 0.24 121.76 124.04 1o5p s ALA 24 Ca 0.02 1.00 0.00 0.00 0.00 0.00 0.00 51.96 52.98 1o5p s ALA 24 Cb -0.05 -0.92 0.00 0.00 0.00 0.00 0.00 23.12 22.15 1o5p s ALA 24 CO 0.00 -0.50 0.00 0.41 0.00 0.00 0.00 175.76 175.67 1o5p n GLY 25 N 4.99 1.04 3.97 0.00 0.00 -1.00 0.10 105.19 114.29 1o5p n GLY 25 Ca -0.12 -0.47 -0.25 0.00 0.00 0.00 0.00 46.02 45.18 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 2.95 -0.80 0.99 1.43 -0.87 -1.42 118.68 120.96 1o5p s LEU 26 Ca 0.00 -0.04 -0.29 0.00 -1.03 0.00 0.00 54.13 52.78 1o5p s LEU 26 Cb 0.00 -2.42 -0.16 0.00 0.03 0.00 0.00 46.19 43.64 1o5p s LEU 26 CO 0.00 -1.81 2.58 0.00 0.23 0.00 0.00 176.35 177.35 1o5p n GLN 27 N -2.91 0.40 -1.30 1.70 3.00 -1.26 -4.05 117.38 112.96 1o5p n GLN 27 Ca 0.12 -0.01 -0.16 0.00 -0.01 0.00 0.00 57.00 56.94 1o5p n GLN 27 Cb 0.60 -2.26 -0.10 0.00 0.00 0.00 0.00 30.24 28.48 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 12.61 0.32 0.00 -1.58 0.00 -1.23 -1.23 120.51 129.41 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 16.84 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 0.48 2.62 0.00 0.00 0.92 -4.84 105.19 109.98 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 -0.62 -0.13 -0.37 2.61 -4.23 -0.36 -4.88 115.64 107.67 1o5p s THR 30 Ca 0.00 -0.33 -0.36 0.00 -1.18 0.00 0.00 61.69 59.82 1o5p s THR 30 Cb 0.00 -0.71 -0.12 0.00 1.34 0.00 0.00 72.50 73.00 1o5p s THR 30 CO 0.00 -0.40 2.18 0.00 -0.54 0.00 0.00 174.62 175.86 1o5p n ALA 31 N 5.28 0.97 -2.74 3.99 0.00 -1.26 -2.72 120.51 124.03 1o5p n ALA 31 Ca -0.06 -0.02 -0.27 0.00 0.00 0.00 0.00 53.44 53.09 1o5p n ALA 31 Cb 0.47 -2.48 -0.07 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 7.11 3.01 0.30 0.00 1.51 0.14 -4.68 117.35 124.73 1o5p s TYR 32 Ca 1.11 -0.06 0.06 0.00 -1.01 0.00 0.00 57.07 57.16 1o5p s TYR 32 Cb -0.94 -1.46 -0.02 0.00 -0.11 0.00 0.00 41.96 39.43 1o5p s TYR 32 CO 0.51 0.52 0.41 0.34 -1.11 0.00 0.00 175.55 176.22 1o5p s ASP 33 N -2.97 6.04 -0.09 2.29 2.15 0.76 -1.38 116.67 123.47 1o5p s ASP 33 Ca 0.29 -0.11 -0.03 0.00 0.43 0.00 0.00 52.55 53.13 1o5p s ASP 33 Cb -0.10 -1.46 0.04 0.00 -0.30 0.00 0.00 42.92 41.11 1o5p s ASP 33 CO 0.21 -0.27 0.09 0.54 -0.17 0.00 0.00 175.17 175.57 1o5p s VAL 34 N -2.11 -0.14 0.20 1.11 0.11 -0.91 -1.38 120.40 117.28 1o5p s VAL 34 Ca 0.40 0.23 -0.12 0.00 -2.93 0.00 0.00 61.98 59.55 1o5p s VAL 34 Cb -0.09 -0.32 0.05 0.00 -1.53 0.00 0.00 36.38 34.49 1o5p s VAL 34 CO 0.30 0.03 0.62 0.61 -3.33 0.00 0.00 175.10 173.33 1o5p n GLY 35 N 5.30 1.06 3.39 6.54 0.00 -0.90 -0.24 105.19 120.34 1o5p n GLY 35 Ca -0.04 -1.13 -0.41 0.00 0.00 0.00 0.00 46.02 44.43 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 2.85 0.06 1.61 -2.07 -1.26 -2.56 119.66 116.24 1o5p s GLN 36 Ca 0.13 -1.11 0.06 0.00 -1.82 0.00 0.00 55.36 52.62 1o5p s GLN 36 Cb -0.03 -3.83 -0.03 0.00 -1.09 0.00 0.00 33.01 28.04 1o5p s GLN 36 CO 0.06 -0.75 -0.15 0.00 -1.32 0.00 0.00 175.29 173.12 1o5p s ALA 38 N -1.04 1.98 -0.35 0.00 0.00 -0.72 -1.69 121.76 119.94 1o5p s ALA 38 Ca 0.01 -1.00 -0.17 0.00 0.00 0.00 0.00 51.96 50.80 1o5p s ALA 38 Cb -0.09 -0.55 -0.01 0.00 0.00 0.00 0.00 23.12 22.48 1o5p s ALA 38 CO 0.02 0.45 0.44 -1.58 0.00 0.00 0.00 175.76 175.09 1o5p s TRP 39 N -0.39 3.19 -0.85 0.00 0.51 -1.26 -1.71 118.94 118.42 1o5p s TRP 39 Ca 0.04 0.05 0.16 0.00 -2.12 0.00 0.00 56.10 54.23 1o5p s TRP 39 Cb -0.11 -2.82 0.57 0.00 -0.81 0.00 0.00 33.47 30.30 1o5p s TRP 39 CO 0.01 -0.51 1.48 1.33 -0.51 0.00 0.00 176.95 178.75 1o5p n VAL 40 N 5.35 1.72 -1.33 4.03 0.24 -0.90 -4.75 118.33 122.69 1o5p n VAL 40 Ca -0.07 -1.31 0.00 0.00 -2.04 0.00 0.00 64.34 60.92 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 0.58 0.00 -4.55 -1.34 8.00 -1.26 -4.95 116.55 113.02 1o5p n ASP 41 Ca 0.21 0.00 -0.37 0.00 0.71 0.00 0.00 54.79 55.34 1o5p n ASP 41 Cb 0.77 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.83 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 -2.41 3.43 0.00 -3.53 -1.32 -1.26 -2.84 115.64 107.72 1o5p s THR 42 Ca 0.00 0.09 0.00 0.00 -1.21 0.00 0.00 61.69 60.57 1o5p s THR 42 Cb 0.00 -4.10 0.00 0.00 -1.51 0.00 0.00 72.50 66.89 1o5p s THR 42 CO 0.00 -1.06 0.00 0.61 -2.21 0.00 0.00 174.62 171.96 1o5p n GLY 43 N 5.92 0.70 3.12 6.08 0.00 -1.26 -5.04 105.19 114.70 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 2.82 -0.33 1.61 1.01 -1.13 -4.98 120.40 117.40 1o5p s VAL 44 Ca 0.00 -1.73 0.00 0.00 0.00 0.00 0.00 61.98 60.26 1o5p s VAL 44 Cb 0.00 -2.77 0.08 0.00 0.00 0.00 0.00 36.38 33.69 1o5p s VAL 44 CO 0.00 -0.31 0.04 -0.22 0.00 0.00 0.00 175.10 174.62 1o5p s LEU 45 N 1.15 4.39 -0.43 3.92 2.96 -1.26 -2.12 118.68 127.29 1o5p s LEU 45 Ca -0.00 -1.73 -0.17 0.00 -0.22 0.00 0.00 54.13 52.01 1o5p s LEU 45 Cb -0.20 -1.69 0.03 0.00 0.50 0.00 0.00 46.19 44.83 1o5p s LEU 45 CO -0.03 -0.35 0.40 0.00 -1.32 0.00 0.00 176.35 175.05 1o5p s ALA 46 N 1.10 3.45 0.29 5.97 0.00 -0.70 -3.56 121.76 128.31 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 -3.02 -0.03 0.00 0.00 0.00 0.00 23.12 19.86 1o5p s ALA 46 CO -0.05 -1.58 0.21 0.00 0.00 0.00 0.00 175.76 174.34 1o5p s ASN 48 N -3.89 4.63 0.00 0.00 2.47 -0.90 -0.75 114.94 116.50 1o5p s ASN 48 Ca 0.36 -0.11 0.00 0.00 0.42 0.00 0.00 52.86 53.54 1o5p s ASN 48 Cb -0.06 -1.49 0.00 0.00 -1.45 0.00 0.00 41.25 38.24 1o5p s ASN 48 CO 0.25 0.26 0.52 -0.81 -3.72 0.00 0.00 177.10 173.59 1o5p n PRO 49 N 2.95 0.69 -0.05 0.43 -0.04 -1.26 -3.16 135.00 134.55 1o5p n PRO 49 Ca -0.18 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.32 1o5p n PRO 49 Cb 0.53 -1.25 0.06 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 0.41 2.34 -1.55 0.55 0.00 -1.26 -4.45 120.51 116.55 1o5p n ALA 50 Ca 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 53.44 52.66 1o5p n ALA 50 Cb 0.26 -0.28 0.01 0.00 0.00 0.00 0.00 19.45 19.43 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 0.35 0.14 -4.56 0.00 5.75 -1.19 -2.26 116.55 114.78 1o5p n ASP 51 Ca 0.06 -1.67 -0.41 0.00 -0.01 0.00 0.00 54.79 52.76 1o5p n ASP 51 Cb 0.27 -0.13 -0.03 0.00 -1.03 0.00 0.00 41.12 40.20 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 -0.13 2.55 0.00 2.11 0.40 -1.25 -3.19 117.98 118.47 1o5p s PHE 52 Ca 0.01 -0.91 0.00 0.00 -0.60 0.00 0.00 56.93 55.43 1o5p s PHE 52 Cb 0.01 -4.70 0.00 0.00 0.51 0.00 0.00 43.02 38.84 1o5p s PHE 52 CO 0.00 -1.92 0.00 0.43 0.70 0.00 0.00 175.22 174.43 1o5p n SER 53 N 8.91 0.60 0.00 1.36 7.64 0.67 -4.91 113.62 127.88 1o5p n SER 53 Ca 0.35 -0.59 0.00 0.00 1.01 0.00 0.00 58.87 59.64 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 -1.41 0.00 -3.55 6.43 2.88 -1.26 -2.13 113.62 114.58 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 -0.84 0.03 -0.06 2.46 0.11 -0.48 -4.97 120.40 116.65 1o5p s VAL 55 Ca 0.00 -0.26 -0.07 0.00 -2.93 0.00 0.00 61.98 58.72 1o5p s VAL 55 Cb 0.00 -1.03 -0.04 0.00 -1.53 0.00 0.00 36.38 33.78 1o5p s VAL 55 CO 0.00 -0.14 0.21 -0.89 -3.33 0.00 0.00 175.10 170.94 1o5p s THR 56 N -3.07 5.40 -0.34 5.04 2.01 -1.26 0.24 115.64 123.66 1o5p s THR 56 Ca -0.02 0.23 -0.28 0.00 0.31 0.00 0.00 61.69 61.93 1o5p s THR 56 Cb -0.00 -3.49 -0.04 0.00 0.01 0.00 0.00 72.50 68.97 1o5p s THR 56 CO -0.07 0.52 2.12 0.00 -0.69 0.00 0.00 174.62 176.50 1o5p s ALA 57 N -1.13 2.48 0.00 7.40 0.00 -1.10 -4.70 121.76 124.70 1o5p s ALA 57 Ca 0.20 0.35 0.00 0.00 0.00 0.00 0.00 51.96 52.52 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 0.10 -3.21 0.00 -3.47 0.00 0.00 0.00 175.76 169.17 1o5p n ASP 58 N 12.34 0.00 -0.12 0.00 -0.08 -1.26 0.31 116.55 127.74 1o5p n ASP 58 Ca 0.29 0.00 -0.05 0.00 -1.51 0.00 0.00 54.79 53.51 1o5p n ASP 58 Cb 0.48 0.00 0.01 0.00 2.34 0.00 0.00 41.12 43.95 1o5p n ASP 58 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1o5p h ALA 59 N -2.00 0.07 0.00 -1.67 0.00 -1.92 -3.09 119.26 110.65 1o5p h ALA 59 Ca 0.00 0.14 -0.30 0.00 0.00 0.00 0.00 54.91 54.75 1o5p h ALA 59 Cb 0.00 0.52 -0.06 0.00 0.00 0.00 0.00 17.79 18.25 1o5p h ALA 59 CO 0.00 -0.58 -2.13 0.09 0.00 0.00 0.00 179.25 176.63 1o5p n ASN 60 N -5.39 1.43 0.00 0.00 3.02 -1.26 -4.56 115.26 108.51 1o5p n ASN 60 Ca 0.02 -0.03 0.00 0.00 -0.03 0.00 0.00 54.58 54.54 1o5p n ASN 60 Cb 0.30 0.53 0.00 0.00 -0.61 0.00 0.00 39.78 40.00 1o5p n ASN 60 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1o5p n GLY 61 N 2.16 0.69 3.63 7.41 0.00 -1.17 -2.05 105.19 115.85 1o5p n GLY 61 Ca -0.29 -0.76 -0.35 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 -1.07 5.71 -0.20 1.61 0.01 -1.25 -2.37 113.70 116.15 1o5p s SER 62 Ca 0.00 0.07 -0.03 0.00 1.31 0.00 0.00 55.95 57.29 1o5p s SER 62 Cb 0.00 -2.00 0.06 0.00 0.21 0.00 0.00 66.02 64.30 1o5p s SER 62 CO 0.00 0.13 0.06 0.00 0.41 0.00 0.00 173.24 173.84 1o5p s ALA 63 N 0.63 0.83 -0.22 1.44 0.00 0.14 -4.59 121.76 119.98 1o5p s ALA 63 Ca 0.05 -0.63 -0.01 0.00 0.00 0.00 0.00 51.96 51.36 1o5p s ALA 63 Cb -0.13 -1.16 0.02 0.00 0.00 0.00 0.00 23.12 21.85 1o5p s ALA 63 CO 0.01 -1.22 -0.10 -1.12 0.00 0.00 0.00 175.76 173.33 1o5p s SER 64 N 1.95 3.95 -0.04 0.00 0.01 -1.26 0.13 113.70 118.44 1o5p s SER 64 Ca 0.01 -0.73 -0.06 0.00 1.31 0.00 0.00 55.95 56.48 1o5p s SER 64 Cb -0.17 -1.62 0.01 0.00 0.21 0.00 0.00 66.02 64.46 1o5p s SER 64 CO -0.10 -0.07 0.16 0.28 0.41 0.00 0.00 173.24 173.92 1o5p s THR 65 N 1.33 0.03 -0.11 1.44 -1.32 -0.97 -4.99 115.64 111.05 1o5p s THR 65 Ca 0.02 -0.23 -0.06 0.00 -1.21 0.00 0.00 61.69 60.21 1o5p s THR 65 Cb -0.15 -0.30 -0.04 0.00 -1.51 0.00 0.00 72.50 70.50 1o5p s THR 65 CO -0.07 -0.13 0.12 -0.94 -2.21 0.00 0.00 174.62 171.39 1o5p s SER 66 N -0.41 6.22 0.08 8.08 1.04 -1.26 -2.00 113.70 125.45 1o5p s SER 66 Ca -0.05 0.42 -0.01 0.00 0.48 0.00 0.00 55.95 56.80 1o5p s SER 66 Cb -0.03 -1.98 -0.04 0.00 0.10 0.00 0.00 66.02 64.06 1o5p s SER 66 CO 0.01 0.41 -0.01 -1.48 0.98 0.00 0.00 173.24 173.14 1o5p s LEU 67 N -1.01 2.29 -0.21 2.42 0.05 -0.25 -4.93 118.68 117.04 1o5p s LEU 67 Ca 0.15 -1.06 -0.16 0.00 0.05 0.00 0.00 54.13 53.10 1o5p s LEU 67 Cb -0.12 0.18 -0.04 0.00 -2.05 0.00 0.00 46.19 44.16 1o5p s LEU 67 CO 0.04 -0.61 0.42 0.42 -0.55 0.00 0.00 176.35 176.07 1o5p s THR 68 N -3.90 5.17 0.01 5.48 -4.23 -0.96 0.27 115.64 117.49 1o5p s THR 68 Ca 0.13 0.75 0.02 0.00 -1.18 0.00 0.00 61.69 61.41 1o5p s THR 68 Cb 0.07 -3.75 -0.01 0.00 1.34 0.00 0.00 72.50 70.15 1o5p s THR 68 CO -0.06 0.22 -0.07 0.68 -0.54 0.00 0.00 174.62 174.86 1o5p s VAL 69 N 1.47 0.52 0.26 2.29 -7.23 -0.82 -3.94 120.40 112.94 1o5p s VAL 69 Ca 0.20 -0.57 0.00 0.00 -1.81 0.00 0.00 61.98 59.80 1o5p s VAL 69 Cb -0.15 -0.50 0.00 0.00 0.56 0.00 0.00 36.38 36.29 1o5p s VAL 69 CO 0.08 -0.05 0.33 -2.11 -0.31 0.00 0.00 175.10 173.04 1o5p n ARG 70 N 2.38 0.48 0.00 4.82 1.85 -1.26 -4.24 116.66 120.68 1o5p n ARG 70 Ca -0.17 -2.16 0.00 0.00 -1.00 0.00 0.00 57.85 54.53 1o5p n ARG 70 Cb 0.57 2.00 0.00 0.00 -1.05 0.00 0.00 32.46 33.98 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 -0.44 0.00 -1.70 2.89 1.85 -1.26 -4.52 116.66 113.48 1o5p n ARG 71 Ca 0.02 0.00 -0.42 0.00 -1.00 0.00 0.00 57.85 56.45 1o5p n ARG 71 Cb 0.44 0.00 -0.00 0.00 -1.05 0.00 0.00 32.46 31.85 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 2.76 -3.64 2.89 7.64 -1.26 -1.91 113.62 120.11 1o5p n SER 72 Ca 0.00 1.18 -0.10 0.00 1.01 0.00 0.00 58.87 60.96 1o5p n SER 72 Cb 0.00 -1.50 -0.07 0.00 -1.01 0.00 0.00 64.21 61.63 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 -1.12 -0.80 -0.29 1.43 -0.71 -0.64 -4.82 117.98 111.02 1o5p s PHE 73 Ca 0.57 1.80 -0.34 0.00 -1.04 0.00 0.00 56.93 57.92 1o5p s PHE 73 Cb -0.55 0.40 -0.15 0.00 -1.21 0.00 0.00 43.02 41.52 1o5p s PHE 73 CO 0.61 -0.39 1.10 0.39 -1.34 0.00 0.00 175.22 175.59 1o5p n GLU 74 N 3.18 0.00 -1.54 1.99 1.02 -1.26 -1.70 120.64 122.33 1o5p n GLU 74 Ca -0.16 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.69 1o5p n GLU 74 Cb 0.57 -1.11 -0.03 0.00 -0.02 0.00 0.00 31.44 30.85 1o5p n GLU 74 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1o5p n GLY 75 N 2.57 4.61 3.26 0.62 0.00 -0.48 -2.52 105.19 113.24 1o5p n GLY 75 Ca 0.21 -1.97 -0.60 0.00 0.00 0.00 0.00 46.02 43.66 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 0.51 1.33 -3.01 1.61 3.01 0.07 -2.29 117.46 118.70 1o5p n PHE 76 Ca 0.49 0.88 -0.40 0.00 1.01 0.00 0.00 57.45 59.42 1o5p n PHE 76 Cb 0.49 -2.13 -0.05 0.00 -0.01 0.00 0.00 39.48 37.78 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 4.46 4.24 -0.28 4.37 2.96 -0.67 -1.99 118.68 131.77 1o5p s LEU 77 Ca 1.07 1.11 -0.02 0.00 -0.22 0.00 0.00 54.13 56.08 1o5p s LEU 77 Cb -1.41 -3.09 -0.02 0.00 0.50 0.00 0.00 46.19 42.16 1o5p s LEU 77 CO 0.68 -0.23 1.36 0.33 -1.32 0.00 0.00 176.35 177.18 1o5p n PHE 78 N 4.46 0.42 -1.97 5.38 7.35 -1.23 -2.89 117.46 128.97 1o5p n PHE 78 Ca 0.00 -0.92 0.00 0.00 -0.76 0.00 0.00 57.45 55.78 1o5p n PHE 78 Cb 0.50 -0.93 0.00 0.00 0.35 0.00 0.00 39.48 39.40 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 -0.97 0.00 0.00 0.52 0.00 0.00 54.79 54.49 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 2.78 3.94 0.27 0.00 -1.14 -4.99 105.19 106.05 1o5p n GLY 80 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 5.10 -0.12 2.61 -4.23 -1.26 -4.96 115.64 111.74 1o5p s THR 81 Ca 0.00 -0.43 -0.03 0.00 -1.18 0.00 0.00 61.69 60.05 1o5p s THR 81 Cb 0.00 -3.86 -0.03 0.00 1.34 0.00 0.00 72.50 69.95 1o5p s THR 81 CO 0.00 -0.55 0.01 0.00 -0.54 0.00 0.00 174.62 173.54 1o5p s ARG 82 N -4.28 3.31 0.33 3.99 1.70 -1.26 -1.66 118.95 121.07 1o5p s ARG 82 Ca 0.40 -0.41 0.24 0.00 -0.47 0.00 0.00 55.73 55.49 1o5p s ARG 82 Cb -0.10 -2.90 0.39 0.00 -0.57 0.00 0.00 34.95 31.77 1o5p s ARG 82 CO 0.36 0.54 1.54 2.35 -1.08 0.00 0.00 175.30 179.01 1o5p h TRP 83 N 5.72 0.00 0.00 5.89 7.01 -1.78 -3.46 115.95 129.33 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 0.60 0.00 0.00 0.41 -2.79 0.00 0.00 178.44 176.66 1o5p n GLY 84 N 1.18 1.43 3.58 2.65 0.00 -1.26 -4.90 105.19 107.87 1o5p n GLY 84 Ca 0.04 -2.18 -0.40 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 -1.51 3.25 -0.52 2.61 -4.23 -1.26 -1.39 115.64 112.59 1o5p s THR 85 Ca 0.00 0.21 -0.28 0.00 -1.18 0.00 0.00 61.69 60.44 1o5p s THR 85 Cb 0.00 -3.45 0.02 0.00 1.34 0.00 0.00 72.50 70.41 1o5p s THR 85 CO 0.00 -0.36 1.33 -0.69 -0.54 0.00 0.00 174.62 174.36 1o5p s VAL 86 N 8.90 3.92 -0.27 2.29 1.01 -0.69 -4.68 120.40 130.87 1o5p s VAL 86 Ca 0.85 0.85 -0.29 0.00 0.00 0.00 0.00 61.98 63.39 1o5p s VAL 86 Cb -0.21 -4.47 -0.03 0.00 0.00 0.00 0.00 36.38 31.67 1o5p s VAL 86 CO 0.29 -1.09 1.83 -1.81 0.00 0.00 0.00 175.10 174.32 1o5p s ASP 87 N 3.75 5.95 0.00 3.32 1.11 -1.26 -1.62 116.67 127.92 1o5p s ASP 87 Ca 0.52 1.52 0.06 0.00 0.18 0.00 0.00 52.55 54.83 1o5p s ASP 87 Cb -0.10 -2.52 0.29 0.00 1.07 0.00 0.00 42.92 41.66 1o5p s ASP 87 CO 0.28 -1.62 1.02 0.00 1.18 0.00 0.00 175.17 176.02 1o5p n THR 89 N -1.28 0.04 -0.03 0.00 -2.24 -1.26 -4.16 114.28 105.35 1o5p n THR 89 Ca 0.03 -0.20 -0.07 0.00 -2.27 0.00 0.00 64.05 61.54 1o5p n THR 89 Cb 0.05 0.22 -0.02 0.00 -2.10 0.00 0.00 70.33 68.47 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 -0.10 0.43 -3.45 4.28 -2.24 -0.09 -5.07 114.28 108.05 1o5p n THR 90 Ca 0.19 -0.06 -0.23 0.00 -2.27 0.00 0.00 64.05 61.68 1o5p n THR 90 Cb 0.28 -1.60 0.04 0.00 -2.10 0.00 0.00 70.33 66.94 1o5p n THR 90 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1o5p s ALA 91 N -2.13 4.63 -0.32 6.98 0.00 -1.17 -5.09 121.76 124.66 1o5p s ALA 91 Ca -0.09 -1.71 -0.10 0.00 0.00 0.00 0.00 51.96 50.05 1o5p s ALA 91 Cb 0.03 -1.10 -0.01 0.00 0.00 0.00 0.00 23.12 22.05 1o5p s ALA 91 CO 0.12 -0.72 0.17 0.00 0.00 0.00 0.00 175.76 175.33 1o5p s ALA 92 N -2.75 3.32 -0.25 0.00 0.00 -1.26 -4.71 121.76 116.11 1o5p s ALA 92 Ca 0.48 -1.40 -0.14 0.00 0.00 0.00 0.00 51.96 50.91 1o5p s ALA 92 Cb -0.04 -2.44 -0.04 0.00 0.00 0.00 0.00 23.12 20.60 1o5p s ALA 92 CO 0.31 -0.93 0.31 0.00 0.00 0.00 0.00 175.76 175.44 1o5p s GLN 94 N 1.67 3.34 -0.35 0.00 -0.21 -0.68 -2.48 119.66 120.94 1o5p s GLN 94 Ca 0.13 -0.38 -0.09 0.00 0.02 0.00 0.00 55.36 55.04 1o5p s GLN 94 Cb -0.15 -3.03 0.02 0.00 1.00 0.00 0.00 33.01 30.85 1o5p s GLN 94 CO 0.09 0.66 0.16 0.08 -2.12 0.00 0.00 175.29 174.16 1o5p s VAL 95 N -1.31 4.38 0.00 1.09 1.01 0.12 -2.21 120.40 123.48 1o5p s VAL 95 Ca 0.27 -0.80 0.00 0.00 0.00 0.00 0.00 61.98 61.45 1o5p s VAL 95 Cb -0.12 -3.39 0.00 0.00 0.00 0.00 0.00 36.38 32.87 1o5p s VAL 95 CO 0.18 -0.13 0.00 0.61 0.00 0.00 0.00 175.10 175.76 1o5p n GLY 96 N 4.95 2.66 3.72 4.51 0.00 -1.06 0.25 105.19 120.22 1o5p n GLY 96 Ca -0.13 -1.22 -0.28 0.00 0.00 0.00 0.00 46.02 44.39 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 2.76 0.00 0.99 1.02 -1.25 -2.12 118.68 120.09 1o5p s LEU 97 Ca 0.00 -1.36 0.00 0.00 0.02 0.00 0.00 54.13 52.79 1o5p s LEU 97 Cb 0.00 -1.03 0.00 0.00 0.02 0.00 0.00 46.19 45.18 1o5p s LEU 97 CO 0.00 -0.66 0.00 -0.24 0.02 0.00 0.00 176.35 175.47 1o5p n SER 98 N -1.21 0.00 0.00 2.29 2.88 -0.48 -4.11 113.62 112.99 1o5p n SER 98 Ca -0.08 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.46 1o5p n SER 98 Cb 0.66 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.12 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 0.81 -1.59 -3.46 5.75 -1.26 0.27 116.55 117.07 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 0.09 0.00 -1.03 0.00 0.00 41.12 40.18 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 4.70 -0.07 2.12 0.00 -1.26 -4.61 120.51 118.39 1o5p n ALA 100 Ca 0.00 -3.57 -0.07 0.00 0.00 0.00 0.00 53.44 49.80 1o5p n ALA 100 Cb 0.00 -0.49 -0.10 0.00 0.00 0.00 0.00 19.45 18.86 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 1.67 0.00 0.00 0.00 -1.26 -4.99 120.51 115.05 1o5p n ALA 101 Ca 0.38 -0.85 0.00 0.00 0.00 0.00 0.00 53.44 52.96 1o5p n ALA 101 Cb 0.89 -0.01 0.00 0.00 0.00 0.00 0.00 19.45 20.33 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 2.25 0.97 2.47 0.00 0.00 -1.26 -5.14 105.19 104.48 1o5p n GLY 102 Ca -0.23 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.88 0.00 1.61 5.03 -1.26 -5.03 115.26 114.73 1o5p n ASN 103 Ca 0.00 -1.31 0.00 0.00 0.87 0.00 0.00 54.58 54.14 1o5p n ASN 103 Cb 0.00 1.39 0.00 0.00 -1.02 0.00 0.00 39.78 40.15 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 -0.53 2.27 2.38 7.41 0.00 -1.26 -4.01 105.19 111.45 1o5p n GLY 104 Ca 0.01 -0.69 -0.09 0.00 0.00 0.00 0.00 46.02 45.25 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 -0.40 -2.41 1.61 -0.02 -1.26 -4.93 135.00 127.59 1o5p n PRO 105 Ca 0.00 -0.45 -0.19 0.00 -2.02 0.00 0.00 63.50 60.84 1o5p n PRO 105 Cb 0.00 -1.10 0.09 0.00 -0.02 0.00 0.00 33.50 32.48 1o5p n PRO 105 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1o5p n GLU 106 N -0.41 0.16 -4.44 -0.52 1.02 -1.26 -4.69 120.64 110.50 1o5p n GLU 106 Ca 0.04 -2.44 -0.24 0.00 -0.02 0.00 0.00 57.16 54.49 1o5p n GLU 106 Cb 0.19 -0.48 -0.09 0.00 -0.02 0.00 0.00 31.44 31.03 1o5p n GLU 106 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1o5p s GLY 107 N -4.62 1.97 -0.21 0.62 0.00 -1.26 -3.79 107.32 100.04 1o5p s GLY 107 Ca 0.56 -1.92 -0.10 0.00 0.00 0.00 0.00 44.72 43.26 1o5p s GLY 107 CO 0.37 -1.94 0.13 0.14 0.00 0.00 0.00 173.10 171.80 1o5p s VAL 108 N -2.51 5.35 -0.16 1.40 1.01 0.14 -4.73 120.40 120.90 1o5p s VAL 108 Ca 0.32 0.17 -0.29 0.00 0.00 0.00 0.00 61.98 62.18 1o5p s VAL 108 Cb -0.02 -3.46 -0.03 0.00 0.00 0.00 0.00 36.38 32.87 1o5p s VAL 108 CO 0.17 0.42 1.44 0.00 0.00 0.00 0.00 175.10 177.12 1o5p s ALA 109 N 0.56 3.55 0.50 5.51 0.00 -1.26 0.13 121.76 130.74 1o5p s ALA 109 Ca 0.08 0.55 0.06 0.00 0.00 0.00 0.00 51.96 52.65 1o5p s ALA 109 Cb -0.12 -3.71 0.04 0.00 0.00 0.00 0.00 23.12 19.33 1o5p s ALA 109 CO -0.00 -1.44 0.68 0.96 0.00 0.00 0.00 175.76 175.96 1o5p s ILE 110 N 4.05 2.71 0.03 0.00 -4.36 -1.04 -4.83 121.20 117.76 1o5p s ILE 110 Ca 0.63 -0.90 -0.04 0.00 -0.26 0.00 0.00 60.65 60.08 1o5p s ILE 110 Cb -0.25 -2.81 -0.02 0.00 1.25 0.00 0.00 42.46 40.64 1o5p s ILE 110 CO 0.22 0.00 0.05 -0.55 0.24 0.00 0.00 174.94 174.91 1o5p s SER 111 N -4.45 0.22 -0.03 4.36 0.15 0.17 -4.68 113.70 109.43 1o5p s SER 111 Ca 0.58 -0.56 0.02 0.00 0.70 0.00 0.00 55.95 56.68 1o5p s SER 111 Cb -0.09 0.19 0.01 0.00 -1.71 0.00 0.00 66.02 64.42 1o5p s SER 111 CO 0.36 -0.46 -0.08 -0.36 1.20 0.00 0.00 173.24 173.89 1o5p s PHE 112 N -2.44 0.91 -2.00 3.44 0.08 -1.26 -2.84 117.98 113.87 1o5p s PHE 112 Ca -0.07 -0.24 0.28 0.00 0.12 0.00 0.00 56.93 57.03 1o5p s PHE 112 Cb -0.02 -0.67 1.67 0.00 -0.57 0.00 0.00 43.02 43.43 1o5p s PHE 112 CO -0.04 -0.12 2.02 0.27 -0.10 0.00 0.00 175.22 177.25