#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 2.44 0.86 0.00 0.00 -1.26 -4.98 121.76 118.82 1o5p s ALA 2 Ca 0.00 -1.56 -0.12 0.00 0.00 0.00 0.00 51.96 50.29 1o5p s ALA 2 Cb 0.00 -0.34 0.11 0.00 0.00 0.00 0.00 23.12 22.89 1o5p s ALA 2 CO 0.00 0.47 1.18 -2.14 0.00 0.00 0.00 175.76 175.27 1o5p s PRO 3 N -2.40 1.34 0.00 0.00 0.02 -0.36 -4.21 135.00 129.39 1o5p s PRO 3 Ca 0.17 1.68 0.00 0.00 0.02 0.00 0.00 61.00 62.87 1o5p s PRO 3 Cb -0.09 -1.75 0.00 0.00 0.02 0.00 0.00 34.50 32.68 1o5p s PRO 3 CO 0.08 -2.42 0.00 -2.37 -0.33 0.00 0.00 177.00 171.96 1o5p n THR 4 N -3.72 0.00 -3.64 0.99 5.66 0.24 -4.86 114.28 108.94 1o5p n THR 4 Ca 0.13 0.00 -0.05 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 -2.08 -0.35 1.79 0.00 -1.26 -1.01 121.76 117.85 1o5p s ALA 5 Ca 0.00 2.32 -0.06 0.00 0.00 0.00 0.00 51.96 54.22 1o5p s ALA 5 Cb 0.00 -1.57 0.05 0.00 0.00 0.00 0.00 23.12 21.60 1o5p s ALA 5 CO 0.00 -0.37 0.12 -0.08 0.00 0.00 0.00 175.76 175.43 1o5p s THR 6 N 1.51 3.76 -0.07 0.00 -1.32 -0.06 -4.84 115.64 114.62 1o5p s THR 6 Ca -0.09 -1.24 0.04 0.00 -1.21 0.00 0.00 61.69 59.18 1o5p s THR 6 Cb -0.04 -3.18 -0.02 0.00 -1.51 0.00 0.00 72.50 67.75 1o5p s THR 6 CO -0.17 -0.25 -0.18 -0.69 -2.21 0.00 0.00 174.62 171.12 1o5p s VAL 7 N 1.38 2.68 -0.22 5.08 1.01 -1.26 -0.25 120.40 128.83 1o5p s VAL 7 Ca -0.01 -0.84 -0.29 0.00 0.00 0.00 0.00 61.98 60.84 1o5p s VAL 7 Cb -0.20 -2.04 0.15 0.00 0.00 0.00 0.00 36.38 34.29 1o5p s VAL 7 CO 0.02 0.57 1.15 -0.89 0.00 0.00 0.00 175.10 175.95 1o5p s THR 8 N -0.31 0.00 0.49 3.92 2.01 0.03 -4.47 115.64 117.31 1o5p s THR 8 Ca 0.02 0.00 -0.19 0.00 0.31 0.00 0.00 61.69 61.83 1o5p s THR 8 Cb -0.13 -1.00 -0.09 0.00 0.01 0.00 0.00 72.50 71.30 1o5p s THR 8 CO 0.02 0.00 1.00 -2.16 -0.69 0.00 0.00 174.62 172.80 1o5p s PRO 9 N -0.95 3.89 0.10 4.92 0.05 -1.26 -0.43 135.00 141.32 1o5p s PRO 9 Ca 0.03 1.20 0.14 0.00 0.05 0.00 0.00 61.00 62.42 1o5p s PRO 9 Cb -0.01 -2.12 -0.12 0.00 0.05 0.00 0.00 34.50 32.30 1o5p s PRO 9 CO -0.03 -0.33 0.98 0.66 0.05 0.00 0.00 177.00 178.33 1o5p h SER 10 N 1.42 0.00 -4.51 6.66 4.64 -1.89 -3.44 113.55 116.42 1o5p h SER 10 Ca -0.49 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 60.51 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 0.69 -0.63 -0.44 -0.87 0.00 0.00 176.83 176.17 1o5p s SER 11 N -6.09 1.18 -0.28 4.97 0.01 -1.26 0.41 113.70 112.64 1o5p s SER 11 Ca -0.01 -1.32 -0.02 0.00 1.31 0.00 0.00 55.95 55.91 1o5p s SER 11 Cb 0.08 0.15 0.00 0.00 0.21 0.00 0.00 66.02 66.47 1o5p s SER 11 CO 0.80 -0.68 0.20 0.61 0.41 0.00 0.00 173.24 174.58 1o5p n GLY 12 N -0.39 0.59 0.13 3.44 0.00 -1.15 -4.89 105.19 102.92 1o5p n GLY 12 Ca -0.02 -0.53 -0.21 0.00 0.00 0.00 0.00 46.02 45.26 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 -1.28 2.57 -0.94 0.99 4.77 -1.26 -5.05 117.00 116.79 1o5p n LEU 13 Ca -0.01 0.13 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 1o5p n LEU 13 Cb 0.52 -0.99 0.00 0.00 -2.33 0.00 0.00 43.42 40.62 1o5p n LEU 13 CO 0.12 0.77 -0.28 -0.24 -1.33 0.00 0.00 177.39 176.43 1o5p n SER 14 N -3.63 -5.35 -4.48 -1.43 2.88 -1.26 -3.85 113.62 96.49 1o5p n SER 14 Ca -0.40 0.88 -0.44 0.00 -1.33 0.00 0.00 58.87 57.58 1o5p n SER 14 Cb 0.96 -2.52 -0.08 0.00 -0.75 0.00 0.00 64.21 61.82 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 -1.38 1.66 0.00 -3.46 5.75 -1.26 -1.98 116.55 115.88 1o5p n ASP 15 Ca 0.00 0.10 0.00 0.00 -0.01 0.00 0.00 54.79 54.88 1o5p n ASP 15 Cb 0.10 -1.25 0.00 0.00 -1.03 0.00 0.00 41.12 38.94 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 6.42 1.58 0.98 6.12 0.00 -1.26 -5.06 105.19 113.97 1o5p n GLY 16 Ca 0.47 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.43 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 -0.38 0.00 -4.69 2.61 5.66 -0.84 -4.97 114.28 111.67 1o5p n THR 17 Ca 0.00 -0.53 -0.24 0.00 -3.05 0.00 0.00 64.05 60.23 1o5p n THR 17 Cb 0.00 -0.55 -0.16 0.00 -1.55 0.00 0.00 70.33 68.07 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 -0.42 1.20 0.22 1.08 1.01 -1.26 -2.03 120.40 120.20 1o5p s VAL 18 Ca 0.11 -0.61 0.08 0.00 0.00 0.00 0.00 61.98 61.56 1o5p s VAL 18 Cb -0.01 -1.03 -0.04 0.00 0.00 0.00 0.00 36.38 35.30 1o5p s VAL 18 CO 0.07 0.35 0.02 0.68 0.00 0.00 0.00 175.10 176.22 1o5p s VAL 19 N -0.04 3.70 -0.37 2.92 -7.23 0.19 -4.78 120.40 114.80 1o5p s VAL 19 Ca -0.01 -1.60 -0.09 0.00 -1.81 0.00 0.00 61.98 58.47 1o5p s VAL 19 Cb -0.09 -2.92 0.04 0.00 0.56 0.00 0.00 36.38 33.97 1o5p s VAL 19 CO 0.01 -0.23 0.18 -0.75 -0.31 0.00 0.00 175.10 173.99 1o5p s LYS 20 N -3.31 2.70 -0.08 4.82 2.47 0.43 -0.95 119.74 125.81 1o5p s LYS 20 Ca 0.29 -1.19 -0.04 0.00 -1.56 0.00 0.00 55.97 53.48 1o5p s LYS 20 Cb -0.08 -3.63 -0.04 0.00 -1.46 0.00 0.00 37.83 32.62 1o5p s LYS 20 CO 0.20 -0.73 0.07 0.54 0.16 0.00 0.00 175.35 175.59 1o5p s VAL 21 N 1.47 4.89 0.09 4.02 0.11 -0.80 -0.79 120.40 129.39 1o5p s VAL 21 Ca 0.01 -0.09 -0.00 0.00 -2.93 0.00 0.00 61.98 58.97 1o5p s VAL 21 Cb -0.20 -3.12 -0.04 0.00 -1.53 0.00 0.00 36.38 31.49 1o5p s VAL 21 CO 0.04 0.56 -0.02 0.00 -3.33 0.00 0.00 175.10 172.36 1o5p s ALA 22 N -1.01 0.74 0.02 1.54 0.00 0.66 -1.81 121.76 121.91 1o5p s ALA 22 Ca 0.16 -1.32 0.04 0.00 0.00 0.00 0.00 51.96 50.84 1o5p s ALA 22 Cb -0.12 0.40 -0.02 0.00 0.00 0.00 0.00 23.12 23.39 1o5p s ALA 22 CO 0.05 -0.37 -0.13 0.20 0.00 0.00 0.00 175.76 175.52 1o5p s GLY 23 N -2.99 0.71 -0.11 0.00 0.00 0.24 -0.88 107.32 104.29 1o5p s GLY 23 Ca 0.13 -0.71 -0.05 0.00 0.00 0.00 0.00 44.72 44.09 1o5p s GLY 23 CO -0.05 -0.66 0.24 0.00 0.00 0.00 0.00 173.10 172.62 1o5p s ALA 24 N -0.65 -0.50 0.00 3.20 0.00 -0.18 0.10 121.76 123.72 1o5p s ALA 24 Ca 0.02 0.91 0.00 0.00 0.00 0.00 0.00 51.96 52.90 1o5p s ALA 24 Cb -0.07 -0.77 0.00 0.00 0.00 0.00 0.00 23.12 22.28 1o5p s ALA 24 CO 0.01 -0.38 0.00 0.41 0.00 0.00 0.00 175.76 175.80 1o5p n GLY 25 N 4.71 0.83 3.94 0.00 0.00 -0.94 0.83 105.19 114.56 1o5p n GLY 25 Ca -0.17 -0.61 -0.26 0.00 0.00 0.00 0.00 46.02 44.98 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 2.85 -0.85 0.99 1.43 -0.85 -1.22 118.68 121.03 1o5p s LEU 26 Ca 0.00 0.26 -0.30 0.00 -1.03 0.00 0.00 54.13 53.06 1o5p s LEU 26 Cb 0.00 -2.78 -0.18 0.00 0.03 0.00 0.00 46.19 43.27 1o5p s LEU 26 CO 0.00 -1.79 2.61 0.00 0.23 0.00 0.00 176.35 177.40 1o5p n GLN 27 N -3.00 0.30 -1.28 1.70 3.00 -1.26 -4.04 117.38 112.80 1o5p n GLN 27 Ca 0.10 -0.00 -0.17 0.00 -0.01 0.00 0.00 57.00 56.92 1o5p n GLN 27 Cb 0.60 -2.06 -0.10 0.00 0.00 0.00 0.00 30.24 28.68 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 12.04 0.33 0.00 -1.58 0.00 -1.23 -1.22 120.51 128.85 1o5p n ALA 28 Ca 0.58 -2.06 0.00 0.00 0.00 0.00 0.00 53.44 51.96 1o5p n ALA 28 Cb 0.18 -2.86 0.00 0.00 0.00 0.00 0.00 19.45 16.77 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 5.59 0.49 2.62 0.00 0.00 0.93 -4.83 105.19 109.99 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 -0.12 -0.32 2.61 -4.23 -0.36 -4.87 115.64 107.73 1o5p s THR 30 Ca 0.00 -0.26 -0.36 0.00 -1.18 0.00 0.00 61.69 59.89 1o5p s THR 30 Cb 0.00 -0.66 -0.12 0.00 1.34 0.00 0.00 72.50 73.06 1o5p s THR 30 CO 0.00 -0.35 2.13 0.00 -0.54 0.00 0.00 174.62 175.86 1o5p n ALA 31 N 5.28 0.95 -2.77 3.99 0.00 -1.26 -2.72 120.51 123.99 1o5p n ALA 31 Ca -0.07 0.01 -0.25 0.00 0.00 0.00 0.00 53.44 53.13 1o5p n ALA 31 Cb 0.48 -2.51 -0.06 0.00 0.00 0.00 0.00 19.45 17.36 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 6.74 3.05 0.27 0.00 1.51 0.13 -4.64 117.35 124.41 1o5p s TYR 32 Ca 1.07 -0.07 0.04 0.00 -1.01 0.00 0.00 57.07 57.10 1o5p s TYR 32 Cb -0.87 -1.44 -0.03 0.00 -0.11 0.00 0.00 41.96 39.51 1o5p s TYR 32 CO 0.51 0.53 0.41 0.34 -1.11 0.00 0.00 175.55 176.22 1o5p s ASP 33 N -3.28 6.28 -0.06 2.29 2.15 0.78 -1.68 116.67 123.15 1o5p s ASP 33 Ca 0.31 0.13 -0.03 0.00 0.43 0.00 0.00 52.55 53.39 1o5p s ASP 33 Cb -0.09 -1.84 0.04 0.00 -0.30 0.00 0.00 42.92 40.73 1o5p s ASP 33 CO 0.23 -0.15 0.09 0.54 -0.17 0.00 0.00 175.17 175.70 1o5p s VAL 34 N -2.07 -0.15 0.08 1.11 0.11 -0.88 -1.41 120.40 117.19 1o5p s VAL 34 Ca 0.36 0.37 -0.18 0.00 -2.93 0.00 0.00 61.98 59.60 1o5p s VAL 34 Cb -0.09 -0.22 0.06 0.00 -1.53 0.00 0.00 36.38 34.60 1o5p s VAL 34 CO 0.31 0.14 0.84 0.61 -3.33 0.00 0.00 175.10 173.66 1o5p n GLY 35 N 5.31 0.61 3.46 6.54 0.00 -0.90 -0.66 105.19 119.54 1o5p n GLY 35 Ca -0.04 -1.05 -0.43 0.00 0.00 0.00 0.00 46.02 44.50 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 3.02 0.07 1.61 -2.07 -1.26 -2.58 119.66 116.42 1o5p s GLN 36 Ca 0.19 -0.98 0.06 0.00 -1.82 0.00 0.00 55.36 52.81 1o5p s GLN 36 Cb -0.02 -4.00 -0.03 0.00 -1.09 0.00 0.00 33.01 27.87 1o5p s GLN 36 CO 0.02 -0.84 -0.16 0.00 -1.32 0.00 0.00 175.29 172.99 1o5p s ALA 38 N -1.18 1.63 -0.35 0.00 0.00 -0.73 -1.63 121.76 119.50 1o5p s ALA 38 Ca 0.01 -0.82 -0.17 0.00 0.00 0.00 0.00 51.96 50.98 1o5p s ALA 38 Cb -0.10 -0.44 -0.01 0.00 0.00 0.00 0.00 23.12 22.57 1o5p s ALA 38 CO 0.03 0.38 0.44 -1.58 0.00 0.00 0.00 175.76 175.03 1o5p s TRP 39 N -0.35 3.19 -0.82 0.00 0.51 -1.26 -1.72 118.94 118.50 1o5p s TRP 39 Ca 0.05 0.08 0.16 0.00 -2.12 0.00 0.00 56.10 54.27 1o5p s TRP 39 Cb -0.09 -2.81 0.59 0.00 -0.81 0.00 0.00 33.47 30.36 1o5p s TRP 39 CO 0.00 -0.49 1.50 1.33 -0.51 0.00 0.00 176.95 178.78 1o5p n VAL 40 N 5.34 1.80 -1.53 4.03 0.24 -0.90 -4.75 118.33 122.56 1o5p n VAL 40 Ca -0.07 -1.33 0.00 0.00 -2.04 0.00 0.00 64.34 60.90 1o5p n VAL 40 Cb 0.49 0.10 0.00 0.00 -1.47 0.00 0.00 33.84 32.96 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 9.92 -1.26 -4.95 116.55 114.94 1o5p n ASP 41 Ca 0.22 0.00 -0.37 0.00 -0.53 0.00 0.00 54.79 54.11 1o5p n ASP 41 Cb 0.80 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 41.25 1o5p n ASP 41 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 1o5p s THR 42 N -2.47 3.48 0.00 -3.53 -4.23 -1.26 -2.92 115.64 104.71 1o5p s THR 42 Ca 0.00 0.07 0.00 0.00 -1.18 0.00 0.00 61.69 60.58 1o5p s THR 42 Cb 0.00 -4.21 0.00 0.00 1.34 0.00 0.00 72.50 69.63 1o5p s THR 42 CO 0.00 -1.16 0.00 0.61 -0.54 0.00 0.00 174.62 173.53 1o5p n GLY 43 N 5.94 0.75 3.11 3.99 0.00 -1.26 -5.05 105.19 112.67 1o5p n GLY 43 Ca 0.22 -0.68 -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 2.68 -0.33 1.61 1.01 -1.15 -4.99 120.40 117.23 1o5p s VAL 44 Ca 0.00 -1.75 0.00 0.00 0.00 0.00 0.00 61.98 60.23 1o5p s VAL 44 Cb 0.00 -2.68 0.08 0.00 0.00 0.00 0.00 36.38 33.78 1o5p s VAL 44 CO 0.00 -0.28 0.05 -0.22 0.00 0.00 0.00 175.10 174.65 1o5p s LEU 45 N 1.12 4.42 -0.42 3.92 2.96 -1.26 -2.12 118.68 127.30 1o5p s LEU 45 Ca -0.01 -1.72 -0.16 0.00 -0.22 0.00 0.00 54.13 52.01 1o5p s LEU 45 Cb -0.20 -1.70 0.02 0.00 0.50 0.00 0.00 46.19 44.82 1o5p s LEU 45 CO -0.04 -0.36 0.39 0.00 -1.32 0.00 0.00 176.35 175.02 1o5p s ALA 46 N 1.11 3.45 0.30 5.97 0.00 -0.70 -3.51 121.76 128.38 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 -3.00 -0.04 0.00 0.00 0.00 0.00 23.12 19.87 1o5p s ALA 46 CO -0.04 -1.56 0.17 0.00 0.00 0.00 0.00 175.76 174.33 1o5p s ASN 48 N -3.85 4.85 0.00 0.00 2.47 -0.84 -0.13 114.94 117.44 1o5p s ASN 48 Ca 0.36 -0.11 0.00 0.00 0.42 0.00 0.00 52.86 53.53 1o5p s ASN 48 Cb -0.06 -1.78 0.00 0.00 -1.45 0.00 0.00 41.25 37.96 1o5p s ASN 48 CO 0.24 0.18 0.33 -0.81 -3.72 0.00 0.00 177.10 173.31 1o5p n PRO 49 N 3.48 0.58 0.00 0.43 -0.05 -1.26 -3.06 135.00 135.11 1o5p n PRO 49 Ca -0.17 0.00 0.11 0.00 -0.05 0.00 0.00 63.50 63.39 1o5p n PRO 49 Cb 0.52 -1.28 0.04 0.00 -0.05 0.00 0.00 33.50 32.73 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 0.28 3.36 -0.78 0.55 0.00 -1.26 -4.20 120.51 118.45 1o5p n ALA 50 Ca 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 53.44 52.80 1o5p n ALA 50 Cb 0.16 -0.81 0.00 0.00 0.00 0.00 0.00 19.45 18.80 1o5p n ALA 50 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1o5p n ASP 51 N 0.17 0.44 -4.57 0.00 9.92 -1.17 -3.01 116.55 118.33 1o5p n ASP 51 Ca 0.10 -1.22 -0.23 0.00 -0.53 0.00 0.00 54.79 52.91 1o5p n ASP 51 Cb 0.48 0.00 -0.06 0.00 -0.64 0.00 0.00 41.12 40.90 1o5p n ASP 51 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 1o5p s PHE 52 N -0.22 1.65 0.00 1.24 0.40 -1.25 -3.62 117.98 116.18 1o5p s PHE 52 Ca 0.00 1.05 0.00 0.00 -0.60 0.00 0.00 56.93 57.38 1o5p s PHE 52 Cb 0.00 -3.83 0.00 0.00 0.51 0.00 0.00 43.02 39.70 1o5p s PHE 52 CO 0.00 -1.43 0.00 0.43 0.70 0.00 0.00 175.22 174.92 1o5p n SER 53 N 15.69 0.85 0.00 1.36 7.64 0.16 -4.92 113.62 134.40 1o5p n SER 53 Ca 0.43 -0.73 0.00 0.00 1.01 0.00 0.00 58.87 59.58 1o5p n SER 53 Cb 0.46 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.66 1o5p n SER 53 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1o5p n SER 54 N -1.57 0.00 -3.75 6.43 2.88 -1.26 -2.07 113.62 114.28 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 -0.06 0.00 -0.75 0.00 0.00 64.21 63.40 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 -0.45 0.10 -0.05 2.46 0.11 -0.68 -4.95 120.40 116.94 1o5p s VAL 55 Ca 0.00 -0.79 -0.07 0.00 -2.93 0.00 0.00 61.98 58.20 1o5p s VAL 55 Cb 0.00 -1.12 -0.04 0.00 -1.53 0.00 0.00 36.38 33.69 1o5p s VAL 55 CO 0.00 -0.43 0.21 -0.89 -3.33 0.00 0.00 175.10 170.66 1o5p s THR 56 N -3.27 5.39 -0.34 5.04 2.01 -1.26 0.17 115.64 123.38 1o5p s THR 56 Ca 0.00 0.17 -0.28 0.00 0.31 0.00 0.00 61.69 61.89 1o5p s THR 56 Cb 0.02 -3.51 -0.04 0.00 0.01 0.00 0.00 72.50 68.98 1o5p s THR 56 CO -0.08 0.48 2.08 0.00 -0.69 0.00 0.00 174.62 176.41 1o5p s ALA 57 N -1.18 2.51 0.00 7.40 0.00 -1.10 -4.71 121.76 124.68 1o5p s ALA 57 Ca 0.22 0.33 0.00 0.00 0.00 0.00 0.00 51.96 52.51 1o5p s ALA 57 Cb -0.13 -4.13 0.00 0.00 0.00 0.00 0.00 23.12 18.86 1o5p s ALA 57 CO 0.12 -3.17 0.00 -0.40 0.00 0.00 0.00 175.76 172.31 1o5p n ASP 58 N 12.14 0.00 -0.11 0.00 5.75 -1.26 0.31 116.55 133.38 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 -2.03 0.26 0.00 2.12 0.00 -1.92 -3.15 119.26 114.54 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 0.27 -0.06 0.00 0.00 0.00 0.00 17.79 18.00 1o5p h ALA 59 CO 0.00 -0.45 -2.18 -1.71 0.00 0.00 0.00 179.25 174.91 1o5p n ASN 60 N -5.28 1.64 0.00 0.00 2.85 -1.26 -4.55 115.26 108.67 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 0.21 0.27 0.00 0.00 1.24 0.00 0.00 39.78 41.49 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 2.24 0.71 3.60 8.20 0.00 -1.19 -2.02 105.19 116.73 1o5p n GLY 61 Ca -0.33 -0.75 -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 -1.10 5.49 -0.19 1.61 0.01 -1.26 -2.20 113.70 116.05 1o5p s SER 62 Ca 0.00 0.03 -0.03 0.00 1.31 0.00 0.00 55.95 57.26 1o5p s SER 62 Cb 0.00 -1.94 0.06 0.00 0.21 0.00 0.00 66.02 64.35 1o5p s SER 62 CO 0.00 0.15 0.04 0.00 0.41 0.00 0.00 173.24 173.84 1o5p s ALA 63 N 0.50 0.99 -0.21 1.44 0.00 0.11 -4.61 121.76 119.98 1o5p s ALA 63 Ca 0.02 -0.70 -0.00 0.00 0.00 0.00 0.00 51.96 51.29 1o5p s ALA 63 Cb -0.13 -1.18 0.02 0.00 0.00 0.00 0.00 23.12 21.83 1o5p s ALA 63 CO 0.01 -1.18 -0.14 -1.54 0.00 0.00 0.00 175.76 172.91 1o5p s SER 64 N 1.86 3.72 0.01 0.00 1.04 -1.26 0.83 113.70 119.89 1o5p s SER 64 Ca -0.01 -0.75 -0.11 0.00 0.48 0.00 0.00 55.95 55.56 1o5p s SER 64 Cb -0.17 -1.57 0.01 0.00 0.10 0.00 0.00 66.02 64.39 1o5p s SER 64 CO -0.08 -0.05 0.23 0.28 0.98 0.00 0.00 173.24 174.59 1o5p s THR 65 N 1.30 0.08 0.15 2.02 -1.32 -0.75 -5.01 115.64 112.11 1o5p s THR 65 Ca 0.02 -0.65 0.00 0.00 -1.21 0.00 0.00 61.69 59.86 1o5p s THR 65 Cb -0.15 -0.63 -0.04 0.00 -1.51 0.00 0.00 72.50 70.17 1o5p s THR 65 CO -0.09 -0.36 0.32 -0.94 -2.21 0.00 0.00 174.62 171.34 1o5p s SER 66 N -1.55 6.37 0.09 8.08 1.04 -1.26 -1.90 113.70 124.57 1o5p s SER 66 Ca -0.12 0.30 -0.10 0.00 0.48 0.00 0.00 55.95 56.52 1o5p s SER 66 Cb -0.05 -1.97 0.00 0.00 0.10 0.00 0.00 66.02 64.11 1o5p s SER 66 CO 0.01 0.04 0.22 -0.76 0.98 0.00 0.00 173.24 173.73 1o5p s LEU 67 N -3.10 1.27 -0.25 2.42 1.43 -0.13 -4.95 118.68 115.37 1o5p s LEU 67 Ca 0.36 -0.61 -0.10 0.00 -1.03 0.00 0.00 54.13 52.75 1o5p s LEU 67 Cb -0.11 1.15 -0.05 0.00 0.03 0.00 0.00 46.19 47.21 1o5p s LEU 67 CO 0.28 -0.75 0.16 0.42 0.23 0.00 0.00 176.35 176.70 1o5p s THR 68 N -3.85 5.25 0.01 5.49 -4.23 -1.16 0.56 115.64 117.70 1o5p s THR 68 Ca 0.05 0.14 0.02 0.00 -1.18 0.00 0.00 61.69 60.72 1o5p s THR 68 Cb 0.04 -3.47 -0.01 0.00 1.34 0.00 0.00 72.50 70.41 1o5p s THR 68 CO -0.11 0.31 -0.05 0.68 -0.54 0.00 0.00 174.62 174.91 1o5p s VAL 69 N 1.35 0.41 0.19 2.29 -7.23 -0.86 -4.26 120.40 112.29 1o5p s VAL 69 Ca 0.07 -0.46 0.00 0.00 -1.81 0.00 0.00 61.98 59.78 1o5p s VAL 69 Cb -0.15 -0.39 -0.00 0.00 0.56 0.00 0.00 36.38 36.40 1o5p s VAL 69 CO 0.07 -0.05 0.24 -2.11 -0.31 0.00 0.00 175.10 172.94 1o5p n ARG 70 N 2.51 0.35 0.00 4.82 1.85 -1.26 -4.25 116.66 120.68 1o5p n ARG 70 Ca -0.16 -1.60 0.00 0.00 -1.00 0.00 0.00 57.85 55.09 1o5p n ARG 70 Cb 0.57 1.48 0.00 0.00 -1.05 0.00 0.00 32.46 33.46 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 -0.32 0.00 -1.70 2.89 1.85 -1.26 -4.53 116.66 113.59 1o5p n ARG 71 Ca 0.01 0.00 -0.42 0.00 -1.00 0.00 0.00 57.85 56.44 1o5p n ARG 71 Cb 0.32 0.00 -0.00 0.00 -1.05 0.00 0.00 32.46 31.73 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 2.79 -3.63 2.89 7.64 -1.26 -1.91 113.62 120.14 1o5p n SER 72 Ca 0.00 1.20 -0.12 0.00 1.01 0.00 0.00 58.87 60.96 1o5p n SER 72 Cb 0.00 -1.49 -0.07 0.00 -1.01 0.00 0.00 64.21 61.64 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 -1.11 -0.82 -0.36 1.43 -0.71 -0.63 -4.81 117.98 110.98 1o5p s PHE 73 Ca 0.56 1.90 -0.36 0.00 -1.04 0.00 0.00 56.93 57.99 1o5p s PHE 73 Cb -0.56 0.35 -0.15 0.00 -1.21 0.00 0.00 43.02 41.45 1o5p s PHE 73 CO 0.62 -0.40 1.21 0.39 -1.34 0.00 0.00 175.22 175.70 1o5p n GLU 74 N 2.98 0.00 -1.68 1.99 1.02 -1.26 -1.52 120.64 122.17 1o5p n GLU 74 Ca -0.15 0.00 -0.32 0.00 -0.02 0.00 0.00 57.16 56.67 1o5p n GLU 74 Cb 0.56 -1.16 -0.02 0.00 -0.02 0.00 0.00 31.44 30.80 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 2.95 4.82 3.34 0.62 0.00 -0.49 -2.09 105.19 114.35 1o5p n GLY 75 Ca 0.23 -2.12 -0.61 0.00 0.00 0.00 0.00 46.02 43.53 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 0.38 1.39 -3.04 1.61 3.01 0.82 -2.18 117.46 119.44 1o5p n PHE 76 Ca 0.51 0.91 -0.40 0.00 1.01 0.00 0.00 57.45 59.48 1o5p n PHE 76 Cb 0.42 -2.16 -0.05 0.00 -0.01 0.00 0.00 39.48 37.68 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 4.34 4.20 -0.25 4.37 2.96 -0.68 -1.92 118.68 131.70 1o5p s LEU 77 Ca 1.08 1.02 -0.02 0.00 -0.22 0.00 0.00 54.13 55.98 1o5p s LEU 77 Cb -1.43 -3.03 -0.04 0.00 0.50 0.00 0.00 46.19 42.19 1o5p s LEU 77 CO 0.71 -0.26 1.39 0.33 -1.32 0.00 0.00 176.35 177.19 1o5p n PHE 78 N 4.76 0.37 -1.90 5.38 7.35 -1.23 -2.90 117.46 129.29 1o5p n PHE 78 Ca 0.00 -0.84 0.00 0.00 -0.76 0.00 0.00 57.45 55.85 1o5p n PHE 78 Cb 0.50 -0.92 0.00 0.00 0.35 0.00 0.00 39.48 39.41 1o5p n PHE 78 CO 0.00 0.00 0.00 -0.40 -0.76 0.00 0.00 176.76 175.60 1o5p n ASP 79 N 4.00 0.00 0.00 -2.13 5.68 -1.26 -4.99 116.55 117.86 1o5p n ASP 79 Ca 0.16 -1.16 0.00 0.00 -0.50 0.00 0.00 54.79 53.29 1o5p n ASP 79 Cb 0.12 -0.03 0.00 0.00 -1.14 0.00 0.00 41.12 40.06 1o5p n ASP 79 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1o5p n GLY 80 N 0.00 2.94 3.95 6.12 0.00 -1.14 -5.01 105.19 112.05 1o5p n GLY 80 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.86 4.88 -0.11 2.61 -4.23 -1.26 -4.98 115.64 110.71 1o5p s THR 81 Ca 0.00 -1.05 -0.04 0.00 -1.18 0.00 0.00 61.69 59.42 1o5p s THR 81 Cb 0.00 -3.70 -0.04 0.00 1.34 0.00 0.00 72.50 70.10 1o5p s THR 81 CO 0.00 -0.29 0.06 0.00 -0.54 0.00 0.00 174.62 173.85 1o5p s ARG 82 N -4.00 3.24 0.38 3.99 1.70 -1.26 -1.69 118.95 121.31 1o5p s ARG 82 Ca 0.36 -0.28 0.23 0.00 -0.47 0.00 0.00 55.73 55.57 1o5p s ARG 82 Cb -0.09 -2.99 0.27 0.00 -0.57 0.00 0.00 34.95 31.57 1o5p s ARG 82 CO 0.29 0.71 1.48 2.35 -1.08 0.00 0.00 175.30 179.05 1o5p h TRP 83 N 5.18 0.00 0.00 5.89 7.01 -1.76 -3.45 115.95 128.82 1o5p h TRP 83 Ca -0.52 0.00 0.00 0.00 2.11 0.00 0.00 58.89 60.48 1o5p h TRP 83 Cb 1.21 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 28.27 1o5p h TRP 83 CO 0.68 0.00 0.00 0.41 -2.79 0.00 0.00 178.44 176.74 1o5p n GLY 84 N 1.13 1.40 3.57 2.65 0.00 -1.26 -4.90 105.19 107.77 1o5p n GLY 84 Ca 0.03 -2.20 -0.40 0.00 0.00 0.00 0.00 46.02 43.45 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 3.30 -0.50 2.61 -4.23 -1.26 -1.39 115.64 112.74 1o5p s THR 85 Ca 0.00 0.26 -0.28 0.00 -1.18 0.00 0.00 61.69 60.48 1o5p s THR 85 Cb 0.00 -3.57 0.01 0.00 1.34 0.00 0.00 72.50 70.28 1o5p s THR 85 CO 0.00 -0.47 1.44 -0.69 -0.54 0.00 0.00 174.62 174.37 1o5p s VAL 86 N 8.73 3.80 -0.27 2.29 1.01 -0.57 -4.64 120.40 130.76 1o5p s VAL 86 Ca 0.81 0.74 -0.28 0.00 0.00 0.00 0.00 61.98 63.24 1o5p s VAL 86 Cb -0.19 -4.31 -0.03 0.00 0.00 0.00 0.00 36.38 31.85 1o5p s VAL 86 CO 0.28 -0.98 1.95 -1.81 0.00 0.00 0.00 175.10 174.53 1o5p s ASP 87 N 4.45 5.79 0.00 3.32 1.01 -1.26 -1.60 116.67 128.37 1o5p s ASP 87 Ca 0.57 1.59 0.06 0.00 0.71 0.00 0.00 52.55 55.48 1o5p s ASP 87 Cb -0.12 -2.52 0.33 0.00 1.01 0.00 0.00 42.92 41.62 1o5p s ASP 87 CO 0.28 -1.75 1.04 0.00 0.21 0.00 0.00 175.17 174.95 1o5p n THR 89 N -1.26 0.00 -0.03 0.00 -2.24 -1.26 -4.16 114.28 105.32 1o5p n THR 89 Ca 0.03 -0.16 -0.08 0.00 -2.27 0.00 0.00 64.05 61.58 1o5p n THR 89 Cb 0.05 0.14 -0.03 0.00 -2.10 0.00 0.00 70.33 68.39 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 -0.28 0.53 -3.27 4.28 -2.24 -0.17 -5.06 114.28 108.06 1o5p n THR 90 Ca 0.20 -0.05 -0.19 0.00 -2.27 0.00 0.00 64.05 61.74 1o5p n THR 90 Cb 0.27 -1.63 0.04 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 -3.39 1.03 -2.97 6.98 0.00 -1.18 -5.09 120.51 115.89 1o5p n ALA 91 Ca -0.14 -1.94 -0.38 0.00 0.00 0.00 0.00 53.44 50.98 1o5p n ALA 91 Cb 0.55 0.61 -0.12 0.00 0.00 0.00 0.00 19.45 20.49 1o5p n ALA 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1o5p s ALA 92 N -2.66 3.21 -0.25 0.00 0.00 -1.26 -4.72 121.76 116.08 1o5p s ALA 92 Ca 0.48 -1.43 -0.14 0.00 0.00 0.00 0.00 51.96 50.87 1o5p s ALA 92 Cb -0.04 -2.31 -0.04 0.00 0.00 0.00 0.00 23.12 20.73 1o5p s ALA 92 CO 0.30 -0.94 0.31 0.00 0.00 0.00 0.00 175.76 175.44 1o5p s GLN 94 N 1.65 3.24 -0.40 0.00 -0.21 -0.65 -2.50 119.66 120.79 1o5p s GLN 94 Ca 0.13 -0.40 -0.14 0.00 0.02 0.00 0.00 55.36 54.97 1o5p s GLN 94 Cb -0.15 -2.98 0.03 0.00 1.00 0.00 0.00 33.01 30.91 1o5p s GLN 94 CO 0.09 0.66 0.27 0.08 -2.12 0.00 0.00 175.29 174.27 1o5p s VAL 95 N -1.25 5.01 0.00 1.09 1.01 0.11 -2.26 120.40 124.11 1o5p s VAL 95 Ca 0.25 -0.76 0.00 0.00 0.00 0.00 0.00 61.98 61.47 1o5p s VAL 95 Cb -0.12 -3.81 0.00 0.00 0.00 0.00 0.00 36.38 32.45 1o5p s VAL 95 CO 0.16 -0.30 0.00 0.61 0.00 0.00 0.00 175.10 175.57 1o5p n GLY 96 N 5.10 2.86 3.73 4.51 0.00 -1.07 0.27 105.19 120.59 1o5p n GLY 96 Ca -0.11 -1.26 -0.32 0.00 0.00 0.00 0.00 46.02 44.33 1o5p n GLY 96 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1o5p s LEU 97 N 0.00 2.33 0.00 0.99 1.02 -1.24 -2.11 118.68 119.67 1o5p s LEU 97 Ca 0.00 -1.63 0.00 0.00 0.02 0.00 0.00 54.13 52.52 1o5p s LEU 97 Cb 0.00 -0.70 0.00 0.00 0.02 0.00 0.00 46.19 45.51 1o5p s LEU 97 CO 0.00 -0.82 0.00 -0.24 0.02 0.00 0.00 176.35 175.31 1o5p n SER 98 N -1.23 0.00 -0.03 2.29 2.88 -0.50 -4.18 113.62 112.84 1o5p n SER 98 Ca -0.17 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.37 1o5p n SER 98 Cb 0.67 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.13 1o5p n SER 98 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1o5p n ASP 99 N 0.00 1.60 -1.63 -3.46 5.75 -1.25 0.27 116.55 117.84 1o5p n ASP 99 Ca 0.00 -0.02 -0.16 0.00 -0.01 0.00 0.00 54.79 54.60 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 4.73 -0.04 2.12 0.00 -1.26 -4.62 120.51 118.43 1o5p n ALA 100 Ca 0.00 -3.60 -0.05 0.00 0.00 0.00 0.00 53.44 49.80 1o5p n ALA 100 Cb 0.00 -0.47 -0.06 0.00 0.00 0.00 0.00 19.45 18.92 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 -0.86 1.80 0.00 0.00 0.00 -1.26 -5.01 120.51 115.18 1o5p n ALA 101 Ca 0.38 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1o5p n ALA 101 Cb 0.89 0.13 0.00 0.00 0.00 0.00 0.00 19.45 20.47 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 2.63 0.91 2.68 0.00 0.00 -1.26 -5.14 105.19 105.01 1o5p n GLY 102 Ca -0.14 -0.07 -0.02 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.25 -0.07 1.61 5.03 -1.26 -5.02 115.26 114.30 1o5p n ASN 103 Ca 0.00 -1.68 0.00 0.00 0.87 0.00 0.00 54.58 53.77 1o5p n ASN 103 Cb 0.00 2.03 0.00 0.00 -1.02 0.00 0.00 39.78 40.79 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 2.94 7.41 0.00 -1.26 -3.82 105.19 111.99 1o5p n GLY 104 Ca -0.02 -0.71 -0.13 0.00 0.00 0.00 0.00 46.02 45.16 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 -1.73 -1.96 1.61 -0.02 -1.26 -4.92 135.00 126.72 1o5p n PRO 105 Ca 0.00 -0.51 -0.12 0.00 -2.02 0.00 0.00 63.50 60.84 1o5p n PRO 105 Cb 0.00 -1.34 0.05 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 -0.80 0.48 -4.52 -0.52 0.28 -1.26 -4.66 120.64 109.63 1o5p n GLU 106 Ca 0.05 -1.72 -0.26 0.00 -0.16 0.00 0.00 57.16 55.07 1o5p n GLU 106 Cb 0.25 -0.27 -0.10 0.00 1.43 0.00 0.00 31.44 32.75 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 -3.76 2.12 -0.21 -1.84 0.00 -1.26 -3.70 107.32 98.67 1o5p s GLY 107 Ca 0.37 -2.04 -0.11 0.00 0.00 0.00 0.00 44.72 42.94 1o5p s GLY 107 CO 0.24 -2.02 0.19 0.14 0.00 0.00 0.00 173.10 171.65 1o5p s VAL 108 N -2.58 5.36 -0.09 1.40 1.01 0.14 -4.71 120.40 120.93 1o5p s VAL 108 Ca 0.32 0.28 -0.30 0.00 0.00 0.00 0.00 61.98 62.28 1o5p s VAL 108 Cb 0.01 -3.53 -0.04 0.00 0.00 0.00 0.00 36.38 32.82 1o5p s VAL 108 CO 0.16 0.37 1.49 0.00 0.00 0.00 0.00 175.10 177.12 1o5p s ALA 109 N 0.77 3.63 0.47 5.51 0.00 -1.26 0.05 121.76 130.93 1o5p s ALA 109 Ca 0.10 0.75 0.06 0.00 0.00 0.00 0.00 51.96 52.87 1o5p s ALA 109 Cb -0.13 -3.69 0.02 0.00 0.00 0.00 0.00 23.12 19.33 1o5p s ALA 109 CO 0.02 -1.28 0.65 0.96 0.00 0.00 0.00 175.76 176.11 1o5p s ILE 110 N 3.70 2.85 0.04 0.00 -4.36 -1.04 -4.82 121.20 117.58 1o5p s ILE 110 Ca 0.66 -0.90 -0.01 0.00 -0.26 0.00 0.00 60.65 60.14 1o5p s ILE 110 Cb -0.29 -2.95 -0.04 0.00 1.25 0.00 0.00 42.46 40.44 1o5p s ILE 110 CO 0.24 0.00 -0.03 -0.55 0.24 0.00 0.00 174.94 174.84 1o5p s SER 111 N -4.39 0.43 -0.15 4.36 0.15 0.16 -4.72 113.70 109.54 1o5p s SER 111 Ca 0.56 -0.88 -0.02 0.00 0.70 0.00 0.00 55.95 56.31 1o5p s SER 111 Cb -0.10 0.18 0.05 0.00 -1.71 0.00 0.00 66.02 64.44 1o5p s SER 111 CO 0.35 -0.53 0.01 -0.36 1.20 0.00 0.00 173.24 173.92 1o5p s PHE 112 N -3.32 0.99 -2.00 3.44 0.08 -1.26 -2.94 117.98 112.98 1o5p s PHE 112 Ca 0.01 -0.67 0.03 0.00 0.12 0.00 0.00 56.93 56.42 1o5p s PHE 112 Cb 0.04 -0.99 0.16 0.00 -0.57 0.00 0.00 43.02 41.66 1o5p s PHE 112 CO -0.08 -0.53 0.65 0.27 -0.10 0.00 0.00 175.22 175.43