#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 2.08 0.89 0.00 0.00 -1.26 -5.03 121.76 118.44 1o5p s ALA 2 Ca 0.00 -1.45 -0.11 0.00 0.00 0.00 0.00 51.96 50.40 1o5p s ALA 2 Cb 0.00 -0.24 0.13 0.00 0.00 0.00 0.00 23.12 23.01 1o5p s ALA 2 CO 0.00 0.33 1.16 -2.14 0.00 0.00 0.00 175.76 175.11 1o5p s PRO 3 N -2.48 1.14 0.00 0.00 0.02 -0.27 -4.36 135.00 129.06 1o5p s PRO 3 Ca 0.14 1.61 0.00 0.00 0.02 0.00 0.00 61.00 62.77 1o5p s PRO 3 Cb -0.08 -1.74 0.00 0.00 0.02 0.00 0.00 34.50 32.71 1o5p s PRO 3 CO 0.07 -2.55 0.00 -2.37 -0.33 0.00 0.00 177.00 171.81 1o5p n THR 4 N -4.02 0.00 -3.64 0.99 5.66 0.33 -4.87 114.28 108.73 1o5p n THR 4 Ca 0.12 0.00 -0.05 0.00 -3.05 0.00 0.00 64.05 61.07 1o5p n THR 4 Cb 0.52 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 69.23 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 -0.33 1.79 0.00 -1.26 -0.74 121.76 118.14 1o5p s ALA 5 Ca 0.00 2.29 -0.04 0.00 0.00 0.00 0.00 51.96 54.21 1o5p s ALA 5 Cb 0.00 -1.56 0.05 0.00 0.00 0.00 0.00 23.12 21.61 1o5p s ALA 5 CO 0.00 -0.36 0.08 -0.08 0.00 0.00 0.00 175.76 175.40 1o5p s THR 6 N 1.41 3.45 -0.05 0.00 -1.32 0.01 -4.84 115.64 114.30 1o5p s THR 6 Ca -0.09 -1.33 0.04 0.00 -1.21 0.00 0.00 61.69 59.10 1o5p s THR 6 Cb -0.04 -3.01 -0.02 0.00 -1.51 0.00 0.00 72.50 67.91 1o5p s THR 6 CO -0.16 -0.22 -0.16 -0.69 -2.21 0.00 0.00 174.62 171.17 1o5p s VAL 7 N 1.32 2.87 -0.23 5.08 1.01 -1.26 -0.33 120.40 128.86 1o5p s VAL 7 Ca -0.02 -0.79 -0.29 0.00 0.00 0.00 0.00 61.98 60.88 1o5p s VAL 7 Cb -0.20 -2.11 0.16 0.00 0.00 0.00 0.00 36.38 34.23 1o5p s VAL 7 CO 0.01 0.59 1.19 -0.89 0.00 0.00 0.00 175.10 175.99 1o5p s THR 8 N -0.63 0.00 0.49 3.92 2.01 0.21 -4.48 115.64 117.16 1o5p s THR 8 Ca 0.09 0.00 -0.19 0.00 0.31 0.00 0.00 61.69 61.90 1o5p s THR 8 Cb -0.11 -1.00 -0.08 0.00 0.01 0.00 0.00 72.50 71.32 1o5p s THR 8 CO 0.01 0.00 1.01 -2.16 -0.69 0.00 0.00 174.62 172.78 1o5p s PRO 9 N -0.99 3.88 0.10 4.92 0.05 -1.26 -0.63 135.00 141.07 1o5p s PRO 9 Ca 0.04 1.22 0.18 0.00 0.05 0.00 0.00 61.00 62.49 1o5p s PRO 9 Cb -0.01 -2.12 -0.10 0.00 0.05 0.00 0.00 34.50 32.33 1o5p s PRO 9 CO -0.04 -0.34 0.89 0.66 0.05 0.00 0.00 177.00 178.22 1o5p h SER 10 N 1.43 0.00 -4.83 6.66 4.64 -1.91 -3.44 113.55 116.10 1o5p h SER 10 Ca -0.49 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 60.58 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 0.44 -0.66 -0.44 -0.87 0.00 0.00 176.83 175.89 1o5p s SER 11 N -5.70 0.90 -0.22 4.97 0.01 -1.26 0.52 113.70 112.92 1o5p s SER 11 Ca -0.02 -1.18 -0.01 0.00 1.31 0.00 0.00 55.95 56.05 1o5p s SER 11 Cb 0.09 0.18 0.00 0.00 0.21 0.00 0.00 66.02 66.50 1o5p s SER 11 CO 0.80 -0.62 0.16 0.61 0.41 0.00 0.00 173.24 174.61 1o5p n GLY 12 N -0.18 0.66 0.13 3.44 0.00 -1.15 -4.91 105.19 103.18 1o5p n GLY 12 Ca -0.06 -0.56 -0.22 0.00 0.00 0.00 0.00 46.02 45.18 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 -1.12 2.37 -1.10 0.99 4.77 -1.26 -5.07 117.00 116.58 1o5p n LEU 13 Ca -0.00 0.25 0.00 0.00 -0.03 0.00 0.00 56.01 56.23 1o5p n LEU 13 Cb 0.51 -1.02 0.00 0.00 -2.33 0.00 0.00 43.42 40.58 1o5p n LEU 13 CO 0.10 0.66 -0.33 -0.24 -1.33 0.00 0.00 177.39 176.24 1o5p n SER 14 N -3.83 -6.02 -4.47 -1.43 2.88 -1.26 -3.85 113.62 95.63 1o5p n SER 14 Ca -0.36 1.13 -0.47 0.00 -1.33 0.00 0.00 58.87 57.84 1o5p n SER 14 Cb 0.91 -3.14 -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 -1.74 2.01 0.00 -3.46 5.75 -1.26 -2.03 116.55 115.81 1o5p n ASP 15 Ca 0.00 0.24 0.00 0.00 -0.01 0.00 0.00 54.79 55.02 1o5p n ASP 15 Cb 0.20 -1.29 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 6.43 1.52 1.04 6.12 0.00 -1.26 -5.06 105.19 113.98 1o5p n GLY 16 Ca 0.43 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.39 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 -4.62 2.61 5.66 -0.86 -4.97 114.28 111.48 1o5p n THR 17 Ca 0.00 -0.56 -0.23 0.00 -3.05 0.00 0.00 64.05 60.21 1o5p n THR 17 Cb 0.00 -0.58 -0.16 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 -0.42 1.10 0.20 1.08 1.01 -1.26 -1.97 120.40 120.15 1o5p s VAL 18 Ca 0.12 -0.55 0.08 0.00 0.00 0.00 0.00 61.98 61.62 1o5p s VAL 18 Cb -0.01 -0.95 -0.04 0.00 0.00 0.00 0.00 36.38 35.38 1o5p s VAL 18 CO 0.07 0.32 0.02 0.68 0.00 0.00 0.00 175.10 176.20 1o5p s VAL 19 N -0.00 3.74 -0.33 2.92 -7.23 0.19 -4.74 120.40 114.94 1o5p s VAL 19 Ca -0.01 -1.53 -0.04 0.00 -1.81 0.00 0.00 61.98 58.59 1o5p s VAL 19 Cb -0.09 -2.92 0.05 0.00 0.56 0.00 0.00 36.38 33.98 1o5p s VAL 19 CO 0.01 -0.20 0.06 -0.75 -0.31 0.00 0.00 175.10 173.92 1o5p s LYS 20 N -3.20 2.47 -0.10 4.82 2.20 0.20 -0.62 119.74 125.52 1o5p s LYS 20 Ca 0.29 -1.28 -0.04 0.00 -0.36 0.00 0.00 55.97 54.58 1o5p s LYS 20 Cb -0.08 -3.34 -0.04 0.00 -1.51 0.00 0.00 37.83 32.86 1o5p s LYS 20 CO 0.20 -0.68 0.07 0.54 -0.36 0.00 0.00 175.35 175.11 1o5p s VAL 21 N 1.31 4.86 0.10 4.02 0.11 -0.83 -0.62 120.40 129.35 1o5p s VAL 21 Ca -0.03 -0.06 0.02 0.00 -2.93 0.00 0.00 61.98 58.99 1o5p s VAL 21 Cb -0.20 -3.09 -0.04 0.00 -1.53 0.00 0.00 36.38 31.52 1o5p s VAL 21 CO 0.00 0.60 -0.07 0.00 -3.33 0.00 0.00 175.10 172.30 1o5p s ALA 22 N -0.97 1.02 0.03 1.54 0.00 0.55 -1.47 121.76 122.46 1o5p s ALA 22 Ca 0.15 -1.36 0.05 0.00 0.00 0.00 0.00 51.96 50.79 1o5p s ALA 22 Cb -0.12 0.15 -0.02 0.00 0.00 0.00 0.00 23.12 23.14 1o5p s ALA 22 CO 0.04 -0.22 -0.14 0.20 0.00 0.00 0.00 175.76 175.63 1o5p s GLY 23 N -3.05 0.78 -0.11 0.00 0.00 0.27 -0.81 107.32 104.39 1o5p s GLY 23 Ca 0.12 -0.79 -0.05 0.00 0.00 0.00 0.00 44.72 44.01 1o5p s GLY 23 CO -0.04 -0.74 0.24 0.00 0.00 0.00 0.00 173.10 172.55 1o5p s ALA 24 N -0.73 -0.50 0.00 3.20 0.00 0.08 0.17 121.76 123.98 1o5p s ALA 24 Ca 0.03 0.91 0.00 0.00 0.00 0.00 0.00 51.96 52.90 1o5p s ALA 24 Cb -0.07 -0.78 0.00 0.00 0.00 0.00 0.00 23.12 22.27 1o5p s ALA 24 CO 0.01 -0.39 0.00 0.41 0.00 0.00 0.00 175.76 175.79 1o5p n GLY 25 N 4.73 0.97 3.95 0.00 0.00 -1.05 0.12 105.19 113.91 1o5p n GLY 25 Ca -0.17 -0.51 -0.24 0.00 0.00 0.00 0.00 46.02 45.11 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 3.07 -0.83 0.99 1.43 -0.85 -1.11 118.68 121.38 1o5p s LEU 26 Ca 0.00 0.24 -0.31 0.00 -1.03 0.00 0.00 54.13 53.03 1o5p s LEU 26 Cb 0.00 -3.01 -0.18 0.00 0.03 0.00 0.00 46.19 43.02 1o5p s LEU 26 CO 0.00 -1.34 2.59 0.00 0.23 0.00 0.00 176.35 177.83 1o5p n GLN 27 N -2.61 0.27 -1.32 1.70 3.00 -1.26 -3.93 117.38 113.23 1o5p n GLN 27 Ca 0.08 0.01 -0.17 0.00 -0.01 0.00 0.00 57.00 56.91 1o5p n GLN 27 Cb 0.60 -1.97 -0.10 0.00 0.00 0.00 0.00 30.24 28.77 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 11.50 0.32 0.00 -1.58 0.00 -1.24 -1.17 120.51 128.35 1o5p n ALA 28 Ca 0.58 -2.09 0.00 0.00 0.00 0.00 0.00 53.44 51.93 1o5p n ALA 28 Cb 0.15 -2.94 0.00 0.00 0.00 0.00 0.00 19.45 16.65 1o5p n ALA 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1o5p n GLY 29 N 5.68 0.41 2.60 0.00 0.00 0.97 -4.84 105.19 110.00 1o5p n GLY 29 Ca 0.35 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.51 0.03 -0.32 2.61 -4.23 -0.32 -4.87 115.64 108.03 1o5p s THR 30 Ca 0.00 -0.51 -0.35 0.00 -1.18 0.00 0.00 61.69 59.65 1o5p s THR 30 Cb 0.00 -0.84 -0.12 0.00 1.34 0.00 0.00 72.50 72.89 1o5p s THR 30 CO 0.00 -0.48 2.13 0.00 -0.54 0.00 0.00 174.62 175.74 1o5p n ALA 31 N 5.22 0.98 -2.71 3.99 0.00 -1.26 -2.71 120.51 124.02 1o5p n ALA 31 Ca -0.07 -0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.12 1o5p n ALA 31 Cb 0.46 -2.53 -0.07 0.00 0.00 0.00 0.00 19.45 17.31 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 6.80 2.92 0.34 0.00 1.51 0.12 -4.43 117.35 124.62 1o5p s TYR 32 Ca 1.07 -0.12 0.06 0.00 -1.01 0.00 0.00 57.07 57.07 1o5p s TYR 32 Cb -0.85 -1.38 -0.01 0.00 -0.11 0.00 0.00 41.96 39.61 1o5p s TYR 32 CO 0.50 0.54 0.48 0.34 -1.11 0.00 0.00 175.55 176.30 1o5p s ASP 33 N -3.22 5.98 -0.14 2.29 2.15 0.71 -1.31 116.67 123.12 1o5p s ASP 33 Ca 0.30 -0.14 -0.04 0.00 0.43 0.00 0.00 52.55 53.09 1o5p s ASP 33 Cb -0.09 -1.28 0.07 0.00 -0.30 0.00 0.00 42.92 41.32 1o5p s ASP 33 CO 0.21 -0.44 0.21 0.54 -0.17 0.00 0.00 175.17 175.52 1o5p s VAL 34 N -2.19 -0.33 0.15 1.11 0.11 -0.86 -1.20 120.40 117.19 1o5p s VAL 34 Ca 0.45 0.17 -0.13 0.00 -2.93 0.00 0.00 61.98 59.54 1o5p s VAL 34 Cb -0.10 -0.47 0.05 0.00 -1.53 0.00 0.00 36.38 34.33 1o5p s VAL 34 CO 0.32 0.01 0.62 0.61 -3.33 0.00 0.00 175.10 173.32 1o5p n GLY 35 N 5.33 0.98 3.45 6.54 0.00 -0.89 -0.15 105.19 120.45 1o5p n GLY 35 Ca -0.05 -1.09 -0.43 0.00 0.00 0.00 0.00 46.02 44.45 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 2.96 0.06 1.61 -2.07 -1.26 -2.52 119.66 116.40 1o5p s GLN 36 Ca 0.13 -1.05 0.05 0.00 -1.82 0.00 0.00 55.36 52.67 1o5p s GLN 36 Cb -0.02 -3.97 -0.03 0.00 -1.09 0.00 0.00 33.01 27.90 1o5p s GLN 36 CO 0.04 -0.77 -0.14 0.00 -1.32 0.00 0.00 175.29 173.11 1o5p s ALA 38 N -1.15 1.72 -0.35 0.00 0.00 -0.78 -1.82 121.76 119.38 1o5p s ALA 38 Ca -0.01 -0.85 -0.17 0.00 0.00 0.00 0.00 51.96 50.93 1o5p s ALA 38 Cb -0.09 -0.49 -0.01 0.00 0.00 0.00 0.00 23.12 22.53 1o5p s ALA 38 CO 0.02 0.38 0.44 -1.58 0.00 0.00 0.00 175.76 175.02 1o5p s TRP 39 N -0.29 3.19 -0.88 0.00 0.51 -1.26 -1.81 118.94 118.41 1o5p s TRP 39 Ca 0.03 0.08 0.16 0.00 -2.12 0.00 0.00 56.10 54.26 1o5p s TRP 39 Cb -0.10 -2.80 0.59 0.00 -0.81 0.00 0.00 33.47 30.35 1o5p s TRP 39 CO 0.01 -0.49 1.51 1.33 -0.51 0.00 0.00 176.95 178.80 1o5p n VAL 40 N 5.33 1.76 -1.56 4.03 0.24 -0.90 -4.73 118.33 122.50 1o5p n VAL 40 Ca -0.07 -1.30 0.00 0.00 -2.04 0.00 0.00 64.34 60.93 1o5p n VAL 40 Cb 0.49 0.13 0.00 0.00 -1.47 0.00 0.00 33.84 32.99 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 0.64 0.00 -4.55 -1.34 8.00 -1.26 -4.96 116.55 113.09 1o5p n ASP 41 Ca 0.22 0.00 -0.38 0.00 0.71 0.00 0.00 54.79 55.33 1o5p n ASP 41 Cb 0.79 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.86 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 -2.48 3.49 0.00 -3.53 2.01 -1.26 -2.94 115.64 110.93 1o5p s THR 42 Ca 0.00 0.19 0.00 0.00 0.31 0.00 0.00 61.69 62.19 1o5p s THR 42 Cb 0.00 -4.28 0.00 0.00 0.01 0.00 0.00 72.50 68.23 1o5p s THR 42 CO 0.00 -1.24 0.00 0.61 -0.69 0.00 0.00 174.62 173.30 1o5p n GLY 43 N 5.73 0.76 3.08 4.40 0.00 -1.26 -5.05 105.19 112.86 1o5p n GLY 43 Ca 0.17 -0.68 -0.33 0.00 0.00 0.00 0.00 46.02 45.19 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 2.49 -0.32 1.61 1.01 -1.15 -4.96 120.40 117.08 1o5p s VAL 44 Ca 0.00 -1.83 0.02 0.00 0.00 0.00 0.00 61.98 60.17 1o5p s VAL 44 Cb 0.00 -2.59 0.08 0.00 0.00 0.00 0.00 36.38 33.87 1o5p s VAL 44 CO 0.00 -0.28 0.02 -0.22 0.00 0.00 0.00 175.10 174.63 1o5p s LEU 45 N 1.08 4.33 -0.43 3.92 2.96 -1.26 -2.13 118.68 127.16 1o5p s LEU 45 Ca -0.01 -1.77 -0.16 0.00 -0.22 0.00 0.00 54.13 51.97 1o5p s LEU 45 Cb -0.20 -1.65 0.03 0.00 0.50 0.00 0.00 46.19 44.86 1o5p s LEU 45 CO -0.05 -0.33 0.40 0.00 -1.32 0.00 0.00 176.35 175.05 1o5p s ALA 46 N 1.06 3.45 0.29 5.97 0.00 -0.75 -3.40 121.76 128.38 1o5p s ALA 46 Ca 0.02 -1.65 0.08 0.00 0.00 0.00 0.00 51.96 50.42 1o5p s ALA 46 Cb -0.20 -3.02 -0.04 0.00 0.00 0.00 0.00 23.12 19.86 1o5p s ALA 46 CO -0.05 -1.58 0.16 0.00 0.00 0.00 0.00 175.76 174.28 1o5p s ASN 48 N -3.83 5.05 0.00 0.00 2.47 -0.76 -0.12 114.94 117.75 1o5p s ASN 48 Ca 0.35 -0.08 0.00 0.00 0.42 0.00 0.00 52.86 53.56 1o5p s ASN 48 Cb -0.06 -1.84 0.00 0.00 -1.45 0.00 0.00 41.25 37.90 1o5p s ASN 48 CO 0.24 0.16 0.29 -0.81 -3.72 0.00 0.00 177.10 173.25 1o5p n PRO 49 N 3.63 0.56 -0.06 0.43 -0.05 -1.26 -2.81 135.00 135.44 1o5p n PRO 49 Ca -0.17 0.00 0.07 0.00 -0.05 0.00 0.00 63.50 63.35 1o5p n PRO 49 Cb 0.52 -1.28 0.10 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 0.23 2.41 -1.70 0.55 0.00 -1.26 -4.31 120.51 116.43 1o5p n ALA 50 Ca 0.00 -0.77 0.01 0.00 0.00 0.00 0.00 53.44 52.68 1o5p n ALA 50 Cb 0.14 -0.51 0.01 0.00 0.00 0.00 0.00 19.45 19.09 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 0.83 0.23 -4.55 0.00 5.75 -1.12 -2.27 116.55 115.41 1o5p n ASP 51 Ca 0.10 -1.90 -0.42 0.00 -0.01 0.00 0.00 54.79 52.57 1o5p n ASP 51 Cb 0.40 -0.18 -0.02 0.00 -1.03 0.00 0.00 41.12 40.29 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 -0.25 2.72 0.00 2.11 0.40 -1.25 -3.08 117.98 118.64 1o5p s PHE 52 Ca 0.03 -1.18 0.00 0.00 -0.60 0.00 0.00 56.93 55.17 1o5p s PHE 52 Cb 0.02 -4.64 0.00 0.00 0.51 0.00 0.00 43.02 38.91 1o5p s PHE 52 CO 0.00 -1.82 0.00 0.43 0.70 0.00 0.00 175.22 174.53 1o5p n SER 53 N 8.28 0.29 0.00 1.36 7.64 0.79 -4.89 113.62 127.09 1o5p n SER 53 Ca 0.36 -0.55 0.00 0.00 1.01 0.00 0.00 58.87 59.69 1o5p n SER 53 Cb 0.49 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.69 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 -3.60 6.43 2.88 -1.26 -2.03 113.62 114.54 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 -0.05 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 -0.07 2.46 0.11 -0.43 -4.96 120.40 116.85 1o5p s VAL 55 Ca 0.00 -0.36 -0.07 0.00 -2.93 0.00 0.00 61.98 58.62 1o5p s VAL 55 Cb 0.00 -1.02 -0.04 0.00 -1.53 0.00 0.00 36.38 33.79 1o5p s VAL 55 CO 0.00 -0.20 0.20 -0.89 -3.33 0.00 0.00 175.10 170.88 1o5p s THR 56 N -2.92 5.40 -0.33 5.04 2.01 -1.26 0.16 115.64 123.74 1o5p s THR 56 Ca -0.03 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 -0.05 0.00 0.01 0.00 0.00 72.50 68.97 1o5p s THR 56 CO -0.06 0.53 2.16 0.00 -0.69 0.00 0.00 174.62 176.56 1o5p s ALA 57 N -1.13 2.47 0.00 7.40 0.00 -1.10 -4.72 121.76 124.69 1o5p s ALA 57 Ca 0.20 0.42 0.00 0.00 0.00 0.00 0.00 51.96 52.58 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 0.09 -3.21 0.00 -3.47 0.00 0.00 0.00 175.76 169.17 1o5p n ASP 58 N 12.45 0.00 -0.11 0.00 -0.08 -1.26 0.32 116.55 127.87 1o5p n ASP 58 Ca 0.29 0.00 -0.06 0.00 -1.51 0.00 0.00 54.79 53.52 1o5p n ASP 58 Cb 0.48 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.94 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 0.03 0.00 -1.67 0.00 -1.92 -3.09 119.26 110.61 1o5p h ALA 59 Ca 0.00 0.13 -0.31 0.00 0.00 0.00 0.00 54.91 54.73 1o5p h ALA 59 Cb 0.00 0.53 -0.06 0.00 0.00 0.00 0.00 17.79 18.26 1o5p h ALA 59 CO 0.00 -0.60 -2.16 0.09 0.00 0.00 0.00 179.25 176.58 1o5p n ASN 60 N -5.39 1.31 0.00 0.00 3.02 -1.26 -4.54 115.26 108.39 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 0.56 0.00 0.00 -0.61 0.00 0.00 39.78 40.03 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 2.12 0.68 3.66 7.41 0.00 -1.17 -2.00 105.19 115.90 1o5p n GLY 61 Ca -0.30 -0.79 -0.36 0.00 0.00 0.00 0.00 46.02 44.57 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 -1.12 6.00 -0.19 1.61 0.01 -1.25 -2.49 113.70 116.26 1o5p s SER 62 Ca 0.00 0.12 -0.04 0.00 1.31 0.00 0.00 55.95 57.34 1o5p s SER 62 Cb 0.00 -2.06 0.06 0.00 0.21 0.00 0.00 66.02 64.23 1o5p s SER 62 CO 0.00 0.11 0.07 0.00 0.41 0.00 0.00 173.24 173.83 1o5p s ALA 63 N 0.75 0.75 -0.17 1.44 0.00 0.13 -4.58 121.76 120.07 1o5p s ALA 63 Ca 0.07 -0.57 0.01 0.00 0.00 0.00 0.00 51.96 51.46 1o5p s ALA 63 Cb -0.13 -1.14 0.02 0.00 0.00 0.00 0.00 23.12 21.88 1o5p s ALA 63 CO 0.02 -1.21 -0.18 -1.54 0.00 0.00 0.00 175.76 172.84 1o5p s SER 64 N 1.99 3.04 -0.02 0.00 1.04 -1.26 0.96 113.70 119.45 1o5p s SER 64 Ca 0.01 -0.63 -0.06 0.00 0.48 0.00 0.00 55.95 55.75 1o5p s SER 64 Cb -0.17 -1.40 0.01 0.00 0.10 0.00 0.00 66.02 64.56 1o5p s SER 64 CO -0.10 -0.02 0.15 0.28 0.98 0.00 0.00 173.24 174.52 1o5p s THR 65 N 1.34 0.05 -0.04 2.02 -1.32 -0.54 -4.98 115.64 112.16 1o5p s THR 65 Ca 0.05 -0.40 -0.06 0.00 -1.21 0.00 0.00 61.69 60.07 1o5p s THR 65 Cb -0.13 -0.35 -0.04 0.00 -1.51 0.00 0.00 72.50 70.47 1o5p s THR 65 CO -0.12 -0.22 0.21 -0.94 -2.21 0.00 0.00 174.62 171.33 1o5p s SER 66 N -0.76 6.44 0.10 8.08 1.04 -1.26 -1.96 113.70 125.37 1o5p s SER 66 Ca -0.08 0.48 -0.02 0.00 0.48 0.00 0.00 55.95 56.81 1o5p s SER 66 Cb -0.05 -2.06 -0.03 0.00 0.10 0.00 0.00 66.02 63.97 1o5p s SER 66 CO 0.01 0.31 0.05 -1.48 0.98 0.00 0.00 173.24 173.11 1o5p s LEU 67 N -1.54 1.95 -0.21 2.42 0.05 0.21 -4.94 118.68 116.62 1o5p s LEU 67 Ca 0.23 -1.07 -0.17 0.00 0.05 0.00 0.00 54.13 53.17 1o5p s LEU 67 Cb -0.13 0.38 -0.03 0.00 -2.05 0.00 0.00 46.19 44.36 1o5p s LEU 67 CO 0.13 -0.69 0.47 0.42 -0.55 0.00 0.00 176.35 176.13 1o5p s THR 68 N -3.98 5.14 0.01 5.48 -4.23 -0.96 0.54 115.64 117.63 1o5p s THR 68 Ca 0.16 0.85 0.01 0.00 -1.18 0.00 0.00 61.69 61.53 1o5p s THR 68 Cb 0.07 -3.80 -0.01 0.00 1.34 0.00 0.00 72.50 70.10 1o5p s THR 68 CO -0.04 0.19 -0.04 0.68 -0.54 0.00 0.00 174.62 174.88 1o5p s VAL 69 N 1.61 0.28 0.00 2.29 -7.23 -0.83 -3.95 120.40 112.57 1o5p s VAL 69 Ca 0.22 -0.49 0.00 0.00 -1.81 0.00 0.00 61.98 59.90 1o5p s VAL 69 Cb -0.15 -0.30 0.00 0.00 0.56 0.00 0.00 36.38 36.48 1o5p s VAL 69 CO 0.09 -0.14 0.00 -2.11 -0.31 0.00 0.00 175.10 172.63 1o5p n ARG 70 N 2.39 0.12 0.00 4.82 1.85 -1.26 -4.15 116.66 120.44 1o5p n ARG 70 Ca -0.17 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.68 1o5p n ARG 70 Cb 0.57 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.98 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 -2.62 2.89 1.74 -1.26 -4.65 116.66 112.76 1o5p n ARG 71 Ca 0.00 0.31 -0.37 0.00 -0.77 0.00 0.00 57.85 57.02 1o5p n ARG 71 Cb 0.00 -1.17 -0.05 0.00 -1.02 0.00 0.00 32.46 30.22 1o5p n ARG 71 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1o5p s SER 72 N -2.07 6.95 -0.28 0.55 0.01 -1.26 0.29 113.70 117.90 1o5p s SER 72 Ca 0.00 1.98 -0.24 0.00 1.31 0.00 0.00 55.95 59.00 1o5p s SER 72 Cb 0.00 -2.58 0.10 0.00 0.21 0.00 0.00 66.02 63.75 1o5p s SER 72 CO 0.00 -0.35 0.90 0.72 0.41 0.00 0.00 173.24 174.92 1o5p s PHE 73 N -1.65 -0.62 -0.34 2.43 -0.71 -0.63 -4.84 117.98 111.62 1o5p s PHE 73 Ca 0.55 1.47 -0.35 0.00 -1.04 0.00 0.00 56.93 57.56 1o5p s PHE 73 Cb -0.21 0.35 -0.15 0.00 -1.21 0.00 0.00 43.02 41.80 1o5p s PHE 73 CO 0.26 -0.30 1.18 0.39 -1.34 0.00 0.00 175.22 175.41 1o5p n GLU 74 N 2.60 0.00 -1.83 1.99 4.71 -1.26 -1.43 120.64 125.42 1o5p n GLU 74 Ca -0.14 0.00 -0.35 0.00 -0.01 0.00 0.00 57.16 56.66 1o5p n GLU 74 Cb 0.56 -1.14 0.00 0.00 -1.01 0.00 0.00 31.44 29.85 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 2.86 5.14 3.48 0.62 0.00 -0.54 -1.84 105.19 114.92 1o5p n GLY 75 Ca 0.23 -2.26 -0.64 0.00 0.00 0.00 0.00 46.02 43.36 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 0.12 1.45 -2.97 1.61 3.01 0.83 -2.28 117.46 119.23 1o5p n PHE 76 Ca 0.52 0.93 -0.41 0.00 1.01 0.00 0.00 57.45 59.51 1o5p n PHE 76 Cb 0.35 -2.27 -0.04 0.00 -0.01 0.00 0.00 39.48 37.51 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 4.63 4.22 -0.34 4.37 2.96 -0.72 -1.96 118.68 131.83 1o5p s LEU 77 Ca 1.13 1.13 -0.02 0.00 -0.22 0.00 0.00 54.13 56.15 1o5p s LEU 77 Cb -1.49 -3.14 -0.03 0.00 0.50 0.00 0.00 46.19 42.03 1o5p s LEU 77 CO 0.73 -0.29 1.48 0.33 -1.32 0.00 0.00 176.35 177.28 1o5p n PHE 78 N 4.73 0.51 -1.92 5.38 7.35 -1.22 -2.95 117.46 129.34 1o5p n PHE 78 Ca 0.02 -1.03 0.00 0.00 -0.76 0.00 0.00 57.45 55.68 1o5p n PHE 78 Cb 0.50 -1.02 0.00 0.00 0.35 0.00 0.00 39.48 39.30 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 4.28 0.00 0.00 -2.13 -0.08 -1.26 -4.99 116.55 112.38 1o5p n ASP 79 Ca 0.19 -1.17 0.00 0.00 -1.51 0.00 0.00 54.79 52.30 1o5p n ASP 79 Cb 0.10 -0.03 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 2.90 3.94 0.27 0.00 -1.15 -5.00 105.19 106.15 1o5p n GLY 80 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.64 3.94 -0.11 2.61 -4.23 -1.26 -4.99 115.64 109.96 1o5p s THR 81 Ca 0.00 -1.12 -0.04 0.00 -1.18 0.00 0.00 61.69 59.35 1o5p s THR 81 Cb 0.00 -3.35 -0.04 0.00 1.34 0.00 0.00 72.50 70.45 1o5p s THR 81 CO 0.00 -0.17 0.03 0.00 -0.54 0.00 0.00 174.62 173.94 1o5p s ARG 82 N -4.10 3.30 0.40 3.99 1.70 -1.26 -1.75 118.95 121.23 1o5p s ARG 82 Ca 0.43 -0.36 0.23 0.00 -0.47 0.00 0.00 55.73 55.56 1o5p s ARG 82 Cb -0.08 -2.95 0.32 0.00 -0.57 0.00 0.00 34.95 31.67 1o5p s ARG 82 CO 0.29 0.60 1.55 2.35 -1.08 0.00 0.00 175.30 179.02 1o5p h TRP 83 N 5.54 0.00 0.00 5.89 7.01 -1.78 -3.45 115.95 129.16 1o5p h TRP 83 Ca -0.47 0.00 0.00 0.00 2.11 0.00 0.00 58.89 60.53 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 0.63 0.00 0.00 0.41 -2.79 0.00 0.00 178.44 176.69 1o5p n GLY 84 N 1.12 1.29 3.58 2.65 0.00 -1.26 -4.90 105.19 107.67 1o5p n GLY 84 Ca 0.04 -2.20 -0.41 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 -1.39 3.26 -0.52 2.61 -4.23 -1.26 -1.46 115.64 112.65 1o5p s THR 85 Ca 0.00 0.23 -0.28 0.00 -1.18 0.00 0.00 61.69 60.46 1o5p s THR 85 Cb 0.00 -3.43 0.02 0.00 1.34 0.00 0.00 72.50 70.43 1o5p s THR 85 CO 0.00 -0.33 1.28 -0.69 -0.54 0.00 0.00 174.62 174.34 1o5p s VAL 86 N 8.57 3.98 -0.26 2.29 1.01 -0.51 -4.67 120.40 130.81 1o5p s VAL 86 Ca 0.86 0.92 -0.29 0.00 0.00 0.00 0.00 61.98 63.47 1o5p s VAL 86 Cb -0.22 -4.52 -0.02 0.00 0.00 0.00 0.00 36.38 31.61 1o5p s VAL 86 CO 0.30 -1.10 1.70 -1.81 0.00 0.00 0.00 175.10 174.19 1o5p s ASP 87 N 3.43 6.18 0.00 3.32 1.01 -1.26 -1.60 116.67 127.75 1o5p s ASP 87 Ca 0.50 1.52 0.00 0.00 0.71 0.00 0.00 52.55 55.29 1o5p s ASP 87 Cb -0.09 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.31 1o5p s ASP 87 CO 0.28 -1.43 0.81 0.00 0.21 0.00 0.00 175.17 175.04 1o5p n THR 89 N -1.31 0.00 -0.11 0.00 -2.24 -1.26 -4.07 114.28 105.29 1o5p n THR 89 Ca 0.00 -0.09 -0.22 0.00 -2.27 0.00 0.00 64.05 61.47 1o5p n THR 89 Cb 0.03 0.12 -0.09 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 -0.80 1.26 -4.24 4.28 -2.24 0.38 -5.04 114.28 107.88 1o5p n THR 90 Ca 0.14 -0.37 -0.25 0.00 -2.27 0.00 0.00 64.05 61.30 1o5p n THR 90 Cb 0.31 -1.65 -0.03 0.00 -2.10 0.00 0.00 70.33 66.86 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 -3.77 0.53 -2.72 6.98 0.00 -1.21 -5.11 120.51 115.21 1o5p n ALA 91 Ca -0.44 -1.88 -0.39 0.00 0.00 0.00 0.00 53.44 50.74 1o5p n ALA 91 Cb 0.85 0.91 -0.11 0.00 0.00 0.00 0.00 19.45 21.09 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 -2.70 3.40 -0.26 0.00 0.00 -1.26 -4.70 121.76 116.24 1o5p s ALA 92 Ca 0.12 -1.25 -0.14 0.00 0.00 0.00 0.00 51.96 50.69 1o5p s ALA 92 Cb -0.01 -2.44 -0.04 0.00 0.00 0.00 0.00 23.12 20.63 1o5p s ALA 92 CO 0.08 -0.75 0.33 0.00 0.00 0.00 0.00 175.76 175.42 1o5p s GLN 94 N 1.82 3.04 -0.38 0.00 -0.21 -0.76 -2.43 119.66 120.74 1o5p s GLN 94 Ca 0.14 -0.53 -0.12 0.00 0.02 0.00 0.00 55.36 54.87 1o5p s GLN 94 Cb -0.15 -2.84 0.03 0.00 1.00 0.00 0.00 33.01 31.05 1o5p s GLN 94 CO 0.09 0.63 0.23 0.08 -2.12 0.00 0.00 175.29 174.20 1o5p s VAL 95 N -1.25 4.71 0.06 1.09 1.01 0.14 -2.21 120.40 123.94 1o5p s VAL 95 Ca 0.25 -0.84 -0.00 0.00 0.00 0.00 0.00 61.98 61.38 1o5p s VAL 95 Cb -0.12 -3.64 0.00 0.00 0.00 0.00 0.00 36.38 32.62 1o5p s VAL 95 CO 0.16 -0.26 0.07 0.61 0.00 0.00 0.00 175.10 175.68 1o5p n GLY 96 N 5.03 3.08 3.82 4.51 0.00 -1.05 0.30 105.19 120.88 1o5p n GLY 96 Ca -0.12 -1.45 -0.31 0.00 0.00 0.00 0.00 46.02 44.15 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 2.42 0.04 0.99 1.02 -1.24 -2.10 118.68 119.81 1o5p s LEU 97 Ca 0.05 -1.52 -0.29 0.00 0.02 0.00 0.00 54.13 52.40 1o5p s LEU 97 Cb -0.00 -0.89 0.10 0.00 0.02 0.00 0.00 46.19 45.42 1o5p s LEU 97 CO 0.03 -0.96 1.13 -0.94 0.02 0.00 0.00 176.35 175.64 1o5p s SER 98 N -4.03 -0.13 0.00 2.29 1.04 -0.34 -4.27 113.70 108.26 1o5p s SER 98 Ca 0.15 -0.22 0.00 0.00 0.48 0.00 0.00 55.95 56.36 1o5p s SER 98 Cb -0.00 0.30 0.00 0.00 0.10 0.00 0.00 66.02 66.42 1o5p s SER 98 CO 0.09 -0.54 0.00 -0.90 0.98 0.00 0.00 173.24 172.87 1o5p n ASP 99 N -0.44 1.58 -1.61 7.02 5.75 -1.24 0.25 116.55 127.86 1o5p n ASP 99 Ca -0.07 0.00 -0.16 0.00 -0.01 0.00 0.00 54.79 54.56 1o5p n ASP 99 Cb 0.62 0.00 0.09 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 4.74 -0.03 2.12 0.00 -1.26 -4.62 120.51 118.45 1o5p n ALA 100 Ca 0.00 -3.57 -0.03 0.00 0.00 0.00 0.00 53.44 49.84 1o5p n ALA 100 Cb 0.00 -0.50 -0.04 0.00 0.00 0.00 0.00 19.45 18.91 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 1.88 0.00 0.00 0.00 -1.26 -5.01 120.51 115.24 1o5p n ALA 101 Ca 0.38 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.52 1o5p n ALA 101 Cb 0.89 0.20 0.00 0.00 0.00 0.00 0.00 19.45 20.54 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 2.83 1.12 2.96 0.00 0.00 -1.26 -5.14 105.19 105.71 1o5p n GLY 102 Ca -0.09 -0.08 -0.06 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.70 -0.22 1.61 5.03 -1.26 -5.00 115.26 113.72 1o5p n ASN 103 Ca 0.00 -2.12 0.00 0.00 0.87 0.00 0.00 54.58 53.33 1o5p n ASN 103 Cb 0.00 2.82 0.00 0.00 -1.02 0.00 0.00 39.78 41.58 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 -0.45 2.25 2.95 7.41 0.00 -1.26 -3.69 105.19 112.40 1o5p n GLY 104 Ca -0.06 -0.77 -0.14 0.00 0.00 0.00 0.00 46.02 45.05 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 -1.70 -1.21 1.61 -0.02 -1.26 -4.91 135.00 127.50 1o5p n PRO 105 Ca 0.00 -0.50 -0.07 0.00 -2.02 0.00 0.00 63.50 60.90 1o5p n PRO 105 Cb 0.00 -1.35 0.04 0.00 -0.02 0.00 0.00 33.50 32.17 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 -0.79 0.40 -4.49 -0.52 0.28 -1.26 -4.60 120.64 109.64 1o5p n GLU 106 Ca 0.04 -0.83 -0.24 0.00 -0.16 0.00 0.00 57.16 55.97 1o5p n GLU 106 Cb 0.28 -0.20 -0.10 0.00 1.43 0.00 0.00 31.44 32.84 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 -3.21 2.01 -0.19 -1.84 0.00 -1.26 -3.59 107.32 99.23 1o5p s GLY 107 Ca 0.20 -1.98 -0.09 0.00 0.00 0.00 0.00 44.72 42.85 1o5p s GLY 107 CO 0.13 -1.97 0.13 0.14 0.00 0.00 0.00 173.10 171.53 1o5p s VAL 108 N -2.67 5.37 -0.13 1.40 1.01 0.15 -4.72 120.40 120.81 1o5p s VAL 108 Ca 0.31 0.18 -0.29 0.00 0.00 0.00 0.00 61.98 62.17 1o5p s VAL 108 Cb 0.01 -3.44 -0.02 0.00 0.00 0.00 0.00 36.38 32.92 1o5p s VAL 108 CO 0.15 0.46 1.32 0.00 0.00 0.00 0.00 175.10 177.03 1o5p s ALA 109 N 0.21 3.64 0.47 5.51 0.00 -1.26 0.24 121.76 130.56 1o5p s ALA 109 Ca 0.08 0.56 0.06 0.00 0.00 0.00 0.00 51.96 52.67 1o5p s ALA 109 Cb -0.11 -3.63 0.02 0.00 0.00 0.00 0.00 23.12 19.40 1o5p s ALA 109 CO -0.01 -1.16 0.64 0.96 0.00 0.00 0.00 175.76 176.19 1o5p s ILE 110 N 3.42 2.87 0.06 0.00 -4.36 -1.02 -4.86 121.20 117.31 1o5p s ILE 110 Ca 0.58 -0.90 0.02 0.00 -0.26 0.00 0.00 60.65 60.09 1o5p s ILE 110 Cb -0.24 -2.96 -0.03 0.00 1.25 0.00 0.00 42.46 40.48 1o5p s ILE 110 CO 0.18 0.00 -0.07 -0.55 0.24 0.00 0.00 174.94 174.74 1o5p s SER 111 N -4.39 0.97 -0.37 4.36 0.15 0.19 -4.72 113.70 109.89 1o5p s SER 111 Ca 0.56 -0.73 0.01 0.00 0.70 0.00 0.00 55.95 56.49 1o5p s SER 111 Cb -0.10 0.06 0.12 0.00 -1.71 0.00 0.00 66.02 64.39 1o5p s SER 111 CO 0.35 -0.31 0.16 -0.36 1.20 0.00 0.00 173.24 174.28 1o5p s PHE 112 N -2.27 1.95 -2.00 3.44 0.08 -1.26 -2.92 117.98 114.99 1o5p s PHE 112 Ca -0.01 -2.13 0.02 0.00 0.12 0.00 0.00 56.93 54.92 1o5p s PHE 112 Cb -0.04 -1.86 0.09 0.00 -0.57 0.00 0.00 43.02 40.65 1o5p s PHE 112 CO -0.02 -0.84 0.58 0.27 -0.10 0.00 0.00 175.22 175.12