#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 1.34 0.79 0.00 0.00 -1.26 -4.43 121.76 118.19 1o5p s ALA 2 Ca 0.00 0.19 -0.14 0.00 0.00 0.00 0.00 51.96 52.01 1o5p s ALA 2 Cb 0.00 -3.29 0.07 0.00 0.00 0.00 0.00 23.12 19.90 1o5p s ALA 2 CO 0.00 -2.60 1.22 -2.14 0.00 0.00 0.00 175.76 172.24 1o5p s PRO 3 N -4.77 1.72 0.00 0.00 0.02 -0.55 -4.22 135.00 127.20 1o5p s PRO 3 Ca 0.65 1.80 0.00 0.00 0.02 0.00 0.00 61.00 63.47 1o5p s PRO 3 Cb -0.20 -1.78 0.00 0.00 0.02 0.00 0.00 34.50 32.54 1o5p s PRO 3 CO 0.58 -2.16 0.00 -2.37 -0.33 0.00 0.00 177.00 172.72 1o5p n THR 4 N -3.15 0.00 -3.64 0.99 5.66 0.45 -4.87 114.28 109.72 1o5p n THR 4 Ca 0.14 0.00 -0.07 0.00 -3.05 0.00 0.00 64.05 61.07 1o5p n THR 4 Cb 0.50 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 69.21 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 -2.02 -0.44 1.79 0.00 -1.26 -1.40 121.76 117.43 1o5p s ALA 5 Ca 0.00 2.19 -0.11 0.00 0.00 0.00 0.00 51.96 54.04 1o5p s ALA 5 Cb 0.00 -1.50 0.08 0.00 0.00 0.00 0.00 23.12 21.71 1o5p s ALA 5 CO 0.00 -0.34 0.30 0.95 0.00 0.00 0.00 175.76 176.68 1o5p s THR 6 N 1.09 4.48 -0.19 0.00 -4.23 -0.06 -4.78 115.64 111.95 1o5p s THR 6 Ca -0.06 -1.36 0.00 0.00 -1.18 0.00 0.00 61.69 59.10 1o5p s THR 6 Cb -0.05 -3.75 0.02 0.00 1.34 0.00 0.00 72.50 70.07 1o5p s THR 6 CO -0.13 -0.55 -0.18 -0.69 -0.54 0.00 0.00 174.62 172.53 1o5p s VAL 7 N 1.47 2.25 -0.13 2.29 1.01 -1.24 0.12 120.40 126.17 1o5p s VAL 7 Ca 0.03 -0.89 -0.30 0.00 0.00 0.00 0.00 61.98 60.82 1o5p s VAL 7 Cb -0.24 -1.97 0.10 0.00 0.00 0.00 0.00 36.38 34.28 1o5p s VAL 7 CO 0.03 0.51 0.86 -0.89 0.00 0.00 0.00 175.10 175.61 1o5p s THR 8 N 1.31 0.00 0.47 3.92 2.01 -0.53 -4.37 115.64 118.45 1o5p s THR 8 Ca 0.05 0.00 -0.20 0.00 0.31 0.00 0.00 61.69 61.85 1o5p s THR 8 Cb -0.13 -1.00 -0.09 0.00 0.01 0.00 0.00 72.50 71.28 1o5p s THR 8 CO -0.11 0.00 1.00 -2.16 -0.69 0.00 0.00 174.62 172.65 1o5p s PRO 9 N -0.94 3.97 0.07 4.92 0.05 -1.26 -1.03 135.00 140.78 1o5p s PRO 9 Ca -0.05 1.21 0.16 0.00 0.05 0.00 0.00 61.00 62.37 1o5p s PRO 9 Cb -0.01 -2.13 -0.13 0.00 0.05 0.00 0.00 34.50 32.28 1o5p s PRO 9 CO 0.04 -0.27 0.86 0.66 0.05 0.00 0.00 177.00 178.34 1o5p h SER 10 N 1.58 0.00 -4.28 6.66 4.64 -1.90 -3.45 113.55 116.79 1o5p h SER 10 Ca -0.49 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 60.50 1o5p h SER 10 Cb 1.20 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.14 1o5p h SER 10 CO 0.60 0.62 -0.65 -0.94 -0.87 0.00 0.00 176.83 175.59 1o5p s SER 11 N -5.87 1.42 -0.31 4.97 1.04 -1.26 0.46 113.70 114.16 1o5p s SER 11 Ca -0.03 -1.23 -0.02 0.00 0.48 0.00 0.00 55.95 55.16 1o5p s SER 11 Cb 0.09 0.09 0.00 0.00 0.10 0.00 0.00 66.02 66.30 1o5p s SER 11 CO 0.81 -0.58 0.21 0.61 0.98 0.00 0.00 173.24 175.27 1o5p n GLY 12 N -0.35 0.56 0.13 7.32 0.00 -1.17 -4.89 105.19 106.79 1o5p n GLY 12 Ca -0.05 -0.52 -0.22 0.00 0.00 0.00 0.00 46.02 45.24 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 -1.33 2.45 -0.81 0.99 4.77 -1.26 -5.05 117.00 116.76 1o5p n LEU 13 Ca -0.01 0.22 0.00 0.00 -0.03 0.00 0.00 56.01 56.19 1o5p n LEU 13 Cb 0.52 -1.03 0.00 0.00 -2.33 0.00 0.00 43.42 40.58 1o5p n LEU 13 CO 0.13 0.71 -0.24 -0.24 -1.33 0.00 0.00 177.39 176.42 1o5p n SER 14 N -3.74 -4.69 -4.48 -1.43 2.88 -1.26 -3.88 113.62 97.02 1o5p n SER 14 Ca -0.36 0.74 -0.44 0.00 -1.33 0.00 0.00 58.87 57.47 1o5p n SER 14 Cb 0.94 -2.00 -0.08 0.00 -0.75 0.00 0.00 64.21 62.32 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 -1.31 1.69 0.00 -3.46 5.75 -1.26 -1.93 116.55 116.04 1o5p n ASP 15 Ca 0.00 0.09 0.00 0.00 -0.01 0.00 0.00 54.79 54.87 1o5p n ASP 15 Cb 0.08 -1.26 0.00 0.00 -1.03 0.00 0.00 41.12 38.91 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 6.40 1.58 0.49 6.12 0.00 -1.26 -5.05 105.19 113.46 1o5p n GLY 16 Ca 0.47 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.46 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 -0.61 0.00 -4.56 2.61 5.66 -0.81 -4.95 114.28 111.61 1o5p n THR 17 Ca 0.00 -0.26 -0.21 0.00 -3.05 0.00 0.00 64.05 60.53 1o5p n THR 17 Cb 0.00 -0.70 -0.15 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 0.11 0.99 0.20 1.08 1.01 -1.26 -1.84 120.40 120.69 1o5p s VAL 18 Ca 0.06 -0.54 0.10 0.00 0.00 0.00 0.00 61.98 61.61 1o5p s VAL 18 Cb -0.00 -0.82 -0.04 0.00 0.00 0.00 0.00 36.38 35.51 1o5p s VAL 18 CO 0.04 0.28 -0.16 0.68 0.00 0.00 0.00 175.10 175.94 1o5p s VAL 19 N -0.30 2.78 -0.37 2.92 -7.23 0.15 -4.76 120.40 113.60 1o5p s VAL 19 Ca 0.05 -1.91 -0.09 0.00 -1.81 0.00 0.00 61.98 58.21 1o5p s VAL 19 Cb -0.05 -2.38 0.04 0.00 0.56 0.00 0.00 36.38 34.56 1o5p s VAL 19 CO -0.00 -0.16 0.18 -0.75 -0.31 0.00 0.00 175.10 174.05 1o5p s LYS 20 N -2.90 2.70 -0.22 4.82 2.20 -0.20 -1.02 119.74 125.12 1o5p s LYS 20 Ca 0.24 -1.20 -0.06 0.00 -0.36 0.00 0.00 55.97 54.60 1o5p s LYS 20 Cb -0.08 -3.65 -0.03 0.00 -1.51 0.00 0.00 37.83 32.57 1o5p s LYS 20 CO 0.13 -0.74 0.03 0.54 -0.36 0.00 0.00 175.35 174.95 1o5p s VAL 21 N 1.47 4.12 0.33 4.02 0.11 -0.87 -1.45 120.40 128.13 1o5p s VAL 21 Ca 0.01 -0.25 0.09 0.00 -2.93 0.00 0.00 61.98 58.90 1o5p s VAL 21 Cb -0.20 -2.89 -0.05 0.00 -1.53 0.00 0.00 36.38 31.71 1o5p s VAL 21 CO 0.04 0.40 0.04 0.00 -3.33 0.00 0.00 175.10 172.26 1o5p s ALA 22 N 1.20 3.27 -0.20 1.54 0.00 0.33 -2.28 121.76 125.62 1o5p s ALA 22 Ca 0.04 -1.90 -0.05 0.00 0.00 0.00 0.00 51.96 50.05 1o5p s ALA 22 Cb -0.14 -0.50 0.07 0.00 0.00 0.00 0.00 23.12 22.55 1o5p s ALA 22 CO 0.02 0.08 0.11 0.20 0.00 0.00 0.00 175.76 176.17 1o5p s GLY 23 N -3.75 0.34 0.00 0.00 0.00 0.24 -0.88 107.32 103.28 1o5p s GLY 23 Ca 0.35 -0.44 0.06 0.00 0.00 0.00 0.00 44.72 44.69 1o5p s GLY 23 CO 0.20 1.86 -0.17 0.00 0.00 0.00 0.00 173.10 174.99 1o5p s ALA 24 N 2.15 2.58 0.00 3.20 0.00 -0.50 0.58 121.76 129.77 1o5p s ALA 24 Ca 0.04 -1.10 0.00 0.00 0.00 0.00 0.00 51.96 50.90 1o5p s ALA 24 Cb -0.16 -0.81 0.00 0.00 0.00 0.00 0.00 23.12 22.15 1o5p s ALA 24 CO -0.16 0.56 0.00 0.41 0.00 0.00 0.00 175.76 176.57 1o5p n GLY 25 N 1.92 0.51 3.97 0.00 0.00 -0.87 0.17 105.19 110.89 1o5p n GLY 25 Ca -0.16 -0.85 -0.23 0.00 0.00 0.00 0.00 46.02 44.77 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 3.03 -0.84 0.99 1.43 -1.03 -1.49 118.68 120.78 1o5p s LEU 26 Ca 0.00 -0.11 -0.29 0.00 -1.03 0.00 0.00 54.13 52.70 1o5p s LEU 26 Cb 0.00 -2.43 -0.18 0.00 0.03 0.00 0.00 46.19 43.61 1o5p s LEU 26 CO 0.00 -1.64 2.59 0.00 0.23 0.00 0.00 176.35 177.53 1o5p n GLN 27 N -2.74 0.33 -1.22 1.70 3.00 -1.26 -4.15 117.38 113.04 1o5p n GLN 27 Ca 0.12 -0.01 -0.18 0.00 -0.01 0.00 0.00 57.00 56.91 1o5p n GLN 27 Cb 0.60 -2.12 -0.09 0.00 0.00 0.00 0.00 30.24 28.63 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 12.16 0.36 0.00 -1.58 0.00 -1.22 -1.28 120.51 128.95 1o5p n ALA 28 Ca 0.57 -2.05 0.00 0.00 0.00 0.00 0.00 53.44 51.96 1o5p n ALA 28 Cb 0.20 -2.81 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 5.49 0.56 2.79 0.00 0.00 0.87 -4.82 105.19 110.08 1o5p n GLY 29 Ca 0.34 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.18 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 -0.73 -0.32 -0.13 2.61 -4.23 -0.40 -4.88 115.64 107.56 1o5p s THR 30 Ca 0.00 -0.01 -0.40 0.00 -1.18 0.00 0.00 61.69 60.11 1o5p s THR 30 Cb 0.00 -0.60 -0.17 0.00 1.34 0.00 0.00 72.50 73.07 1o5p s THR 30 CO 0.00 -0.12 1.47 0.00 -0.54 0.00 0.00 174.62 175.43 1o5p n ALA 31 N 5.32 -1.17 -2.44 3.99 0.00 -1.26 -2.72 120.51 122.23 1o5p n ALA 31 Ca -0.05 0.48 -0.29 0.00 0.00 0.00 0.00 53.44 53.58 1o5p n ALA 31 Cb 0.50 -2.06 -0.12 0.00 0.00 0.00 0.00 19.45 17.76 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 1.78 2.42 0.21 0.00 2.02 0.17 -4.54 117.35 119.41 1o5p s TYR 32 Ca 0.93 -0.32 0.04 0.00 -0.37 0.00 0.00 57.07 57.35 1o5p s TYR 32 Cb -1.11 -1.30 -0.03 0.00 -0.40 0.00 0.00 41.96 39.12 1o5p s TYR 32 CO 0.59 0.36 0.33 0.34 -1.57 0.00 0.00 175.55 175.60 1o5p s ASP 33 N -2.08 6.29 -0.16 2.29 2.15 0.72 -1.50 116.67 124.37 1o5p s ASP 33 Ca 0.16 0.09 -0.04 0.00 0.43 0.00 0.00 52.55 53.19 1o5p s ASP 33 Cb -0.10 -1.86 0.07 0.00 -0.30 0.00 0.00 42.92 40.73 1o5p s ASP 33 CO 0.08 -0.03 0.14 0.54 -0.17 0.00 0.00 175.17 175.73 1o5p s VAL 34 N -1.91 -0.19 0.34 1.11 0.11 -0.05 -0.95 120.40 118.86 1o5p s VAL 34 Ca 0.34 -0.02 -0.14 0.00 -2.93 0.00 0.00 61.98 59.23 1o5p s VAL 34 Cb -0.10 -0.53 0.05 0.00 -1.53 0.00 0.00 36.38 34.28 1o5p s VAL 34 CO 0.29 -0.16 0.72 0.61 -3.33 0.00 0.00 175.10 173.23 1o5p n GLY 35 N 5.30 1.06 3.44 6.54 0.00 -0.91 -0.24 105.19 120.38 1o5p n GLY 35 Ca -0.06 -1.22 -0.42 0.00 0.00 0.00 0.00 46.02 44.32 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 -2.08 2.99 0.06 1.61 -2.07 -1.26 -2.53 119.66 116.38 1o5p s GLN 36 Ca 0.15 -0.99 0.05 0.00 -1.82 0.00 0.00 55.36 52.74 1o5p s GLN 36 Cb -0.04 -3.88 -0.03 0.00 -1.09 0.00 0.00 33.01 27.97 1o5p s GLN 36 CO 0.10 -0.70 -0.13 0.00 -1.32 0.00 0.00 175.29 173.25 1o5p s ALA 38 N -1.15 2.06 -0.35 0.00 0.00 -0.71 -1.68 121.76 119.91 1o5p s ALA 38 Ca -0.02 -1.03 -0.17 0.00 0.00 0.00 0.00 51.96 50.74 1o5p s ALA 38 Cb -0.09 -0.59 -0.00 0.00 0.00 0.00 0.00 23.12 22.44 1o5p s ALA 38 CO 0.02 0.45 0.43 -1.58 0.00 0.00 0.00 175.76 175.07 1o5p s TRP 39 N -0.35 3.19 -0.98 0.00 0.51 -1.26 -1.80 118.94 118.26 1o5p s TRP 39 Ca 0.03 0.02 0.17 0.00 -2.12 0.00 0.00 56.10 54.19 1o5p s TRP 39 Cb -0.12 -2.80 0.58 0.00 -0.81 0.00 0.00 33.47 30.33 1o5p s TRP 39 CO 0.01 -0.50 1.50 1.33 -0.51 0.00 0.00 176.95 178.78 1o5p n VAL 40 N 5.34 1.65 -1.80 4.03 0.24 -0.90 -4.75 118.33 122.13 1o5p n VAL 40 Ca -0.07 -1.25 0.00 0.00 -2.04 0.00 0.00 64.34 60.98 1o5p n VAL 40 Cb 0.49 0.18 0.00 0.00 -1.47 0.00 0.00 33.84 33.04 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 0.74 0.00 -4.55 -1.34 9.92 -1.26 -4.96 116.55 115.11 1o5p n ASP 41 Ca 0.22 0.00 -0.38 0.00 -0.53 0.00 0.00 54.79 54.09 1o5p n ASP 41 Cb 0.76 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 41.21 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 -2.55 3.48 0.00 -3.53 -4.23 -1.26 -2.91 115.64 104.64 1o5p s THR 42 Ca 0.00 0.16 0.00 0.00 -1.18 0.00 0.00 61.69 60.67 1o5p s THR 42 Cb 0.00 -4.23 0.00 0.00 1.34 0.00 0.00 72.50 69.61 1o5p s THR 42 CO 0.00 -1.19 0.00 0.61 -0.54 0.00 0.00 174.62 173.50 1o5p n GLY 43 N 5.78 0.76 3.11 3.99 0.00 -1.26 -5.05 105.19 112.52 1o5p n GLY 43 Ca 0.18 -0.67 -0.34 0.00 0.00 0.00 0.00 46.02 45.20 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 2.72 -0.31 1.61 1.01 -1.15 -4.97 120.40 117.31 1o5p s VAL 44 Ca 0.00 -1.76 0.03 0.00 0.00 0.00 0.00 61.98 60.24 1o5p s VAL 44 Cb 0.00 -2.72 0.08 0.00 0.00 0.00 0.00 36.38 33.74 1o5p s VAL 44 CO 0.00 -0.30 0.00 -0.22 0.00 0.00 0.00 175.10 174.58 1o5p s LEU 45 N 1.13 4.26 -0.42 3.92 2.96 -1.26 -2.12 118.68 127.14 1o5p s LEU 45 Ca -0.00 -1.80 -0.16 0.00 -0.22 0.00 0.00 54.13 51.94 1o5p s LEU 45 Cb -0.20 -1.62 0.03 0.00 0.50 0.00 0.00 46.19 44.89 1o5p s LEU 45 CO -0.04 -0.31 0.40 0.00 -1.32 0.00 0.00 176.35 175.07 1o5p s ALA 46 N 1.02 3.45 0.34 5.97 0.00 -0.74 -3.36 121.76 128.44 1o5p s ALA 46 Ca 0.02 -1.63 0.07 0.00 0.00 0.00 0.00 51.96 50.43 1o5p s ALA 46 Cb -0.20 -3.01 -0.03 0.00 0.00 0.00 0.00 23.12 19.89 1o5p s ALA 46 CO -0.06 -1.57 0.30 0.00 0.00 0.00 0.00 175.76 174.43 1o5p s ASN 48 N -4.00 4.16 0.00 0.00 2.47 -0.84 -0.46 114.94 116.26 1o5p s ASN 48 Ca 0.41 -0.28 0.00 0.00 0.42 0.00 0.00 52.86 53.41 1o5p s ASN 48 Cb -0.06 -1.58 0.00 0.00 -1.45 0.00 0.00 41.25 38.16 1o5p s ASN 48 CO 0.27 0.18 0.36 -0.81 -3.72 0.00 0.00 177.10 173.38 1o5p n PRO 49 N 3.41 0.59 -0.04 0.43 -0.05 -1.26 -2.98 135.00 135.10 1o5p n PRO 49 Ca -0.18 0.00 0.07 0.00 -0.05 0.00 0.00 63.50 63.34 1o5p n PRO 49 Cb 0.53 -1.28 0.08 0.00 -0.05 0.00 0.00 33.50 32.78 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 0.31 2.42 -1.35 0.55 0.00 -1.26 -4.35 120.51 116.83 1o5p n ALA 50 Ca 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 53.44 52.72 1o5p n ALA 50 Cb 0.18 -0.47 0.01 0.00 0.00 0.00 0.00 19.45 19.16 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 0.76 0.21 -4.56 0.00 5.75 -1.16 -2.38 116.55 115.18 1o5p n ASP 51 Ca 0.09 -1.54 -0.39 0.00 -0.01 0.00 0.00 54.79 52.94 1o5p n ASP 51 Cb 0.37 -0.10 -0.03 0.00 -1.03 0.00 0.00 41.12 40.32 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 -0.18 2.37 0.17 2.11 0.40 -1.25 -3.24 117.98 118.35 1o5p s PHE 52 Ca 0.01 -0.48 0.01 0.00 -0.60 0.00 0.00 56.93 55.87 1o5p s PHE 52 Cb 0.01 -4.57 0.01 0.00 0.51 0.00 0.00 43.02 38.98 1o5p s PHE 52 CO 0.00 -1.93 0.08 0.45 0.70 0.00 0.00 175.22 174.52 1o5p n SER 53 N 9.84 1.93 0.00 1.36 2.88 0.66 -4.92 113.62 125.38 1o5p n SER 53 Ca 0.31 -1.65 0.00 0.00 -1.33 0.00 0.00 58.87 56.19 1o5p n SER 53 Cb 0.50 0.04 0.00 0.00 -0.75 0.00 0.00 64.21 64.00 1o5p n SER 53 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1o5p n SER 54 N -1.60 0.00 -3.68 -3.46 2.88 -1.26 -0.87 113.62 105.63 1o5p n SER 54 Ca -0.03 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.41 1o5p n SER 54 Cb 0.20 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.61 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 -0.93 0.08 0.01 2.46 0.11 -0.56 -4.94 120.40 116.61 1o5p s VAL 55 Ca 0.00 -0.70 -0.06 0.00 -2.93 0.00 0.00 61.98 58.28 1o5p s VAL 55 Cb 0.00 -1.25 -0.05 0.00 -1.53 0.00 0.00 36.38 33.55 1o5p s VAL 55 CO 0.00 -0.34 0.26 -0.89 -3.33 0.00 0.00 175.10 170.80 1o5p s THR 56 N -3.82 5.31 -0.36 5.04 2.01 -1.26 0.41 115.64 122.97 1o5p s THR 56 Ca 0.04 0.16 -0.28 0.00 0.31 0.00 0.00 61.69 61.93 1o5p s THR 56 Cb 0.02 -3.56 -0.04 0.00 0.01 0.00 0.00 72.50 68.93 1o5p s THR 56 CO -0.11 0.37 2.02 0.00 -0.69 0.00 0.00 174.62 176.22 1o5p s ALA 57 N -1.29 2.55 0.00 7.40 0.00 -1.10 -4.71 121.76 124.61 1o5p s ALA 57 Ca 0.27 0.26 0.00 0.00 0.00 0.00 0.00 51.96 52.50 1o5p s ALA 57 Cb -0.13 -4.12 0.00 0.00 0.00 0.00 0.00 23.12 18.87 1o5p s ALA 57 CO 0.16 -3.12 0.00 -0.40 0.00 0.00 0.00 175.76 172.40 1o5p n ASP 58 N 11.87 0.00 -0.08 0.00 5.75 -1.26 0.30 116.55 133.13 1o5p n ASP 58 Ca 0.27 0.00 -0.07 0.00 -0.01 0.00 0.00 54.79 54.98 1o5p n ASP 58 Cb 0.48 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.56 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 -2.07 0.21 0.00 2.12 0.00 -1.92 -3.16 119.26 114.44 1o5p h ALA 59 Ca 0.00 0.10 -0.36 0.00 0.00 0.00 0.00 54.91 54.65 1o5p h ALA 59 Cb 0.00 0.20 -0.07 0.00 0.00 0.00 0.00 17.79 17.92 1o5p h ALA 59 CO 0.00 -0.45 -2.37 0.27 0.00 0.00 0.00 179.25 176.70 1o5p n ASN 60 N -5.22 1.94 0.00 0.00 6.94 -1.26 -4.55 115.26 113.10 1o5p n ASN 60 Ca -0.00 -0.12 0.00 0.00 -0.02 0.00 0.00 54.58 54.44 1o5p n ASN 60 Cb 0.16 -0.24 0.00 0.00 -2.36 0.00 0.00 39.78 37.34 1o5p n ASN 60 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1o5p n GLY 61 N 2.30 0.65 3.51 4.83 0.00 -1.21 -2.47 105.19 112.81 1o5p n GLY 61 Ca -0.42 -0.76 -0.36 0.00 0.00 0.00 0.00 46.02 44.49 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 -0.83 5.29 -0.21 1.61 0.01 -1.22 -2.06 113.70 116.31 1o5p s SER 62 Ca 0.00 -0.10 -0.02 0.00 1.31 0.00 0.00 55.95 57.13 1o5p s SER 62 Cb 0.00 -1.93 0.06 0.00 0.21 0.00 0.00 66.02 64.36 1o5p s SER 62 CO 0.00 0.05 0.03 0.00 0.41 0.00 0.00 173.24 173.73 1o5p s ALA 63 N 1.12 1.13 -0.21 1.44 0.00 0.20 -4.64 121.76 120.80 1o5p s ALA 63 Ca 0.04 -0.83 -0.01 0.00 0.00 0.00 0.00 51.96 51.16 1o5p s ALA 63 Cb -0.14 -1.24 0.02 0.00 0.00 0.00 0.00 23.12 21.76 1o5p s ALA 63 CO 0.03 -1.21 -0.12 -1.12 0.00 0.00 0.00 175.76 173.34 1o5p s SER 64 N 1.80 3.83 -0.04 0.00 0.01 -1.26 0.82 113.70 118.85 1o5p s SER 64 Ca -0.01 -0.67 -0.05 0.00 1.31 0.00 0.00 55.95 56.53 1o5p s SER 64 Cb -0.17 -1.60 0.01 0.00 0.21 0.00 0.00 66.02 64.47 1o5p s SER 64 CO -0.09 -0.05 0.13 0.28 0.41 0.00 0.00 173.24 173.92 1o5p s THR 65 N 1.34 0.01 -0.19 1.44 -1.32 -0.97 -4.98 115.64 110.98 1o5p s THR 65 Ca 0.03 -0.08 -0.10 0.00 -1.21 0.00 0.00 61.69 60.33 1o5p s THR 65 Cb -0.15 -0.21 -0.05 0.00 -1.51 0.00 0.00 72.50 70.58 1o5p s THR 65 CO -0.08 -0.04 0.16 -0.94 -2.21 0.00 0.00 174.62 171.51 1o5p s SER 66 N -0.09 6.26 0.26 8.08 1.04 -1.26 -2.06 113.70 125.94 1o5p s SER 66 Ca -0.02 0.29 0.05 0.00 0.48 0.00 0.00 55.95 56.76 1o5p s SER 66 Cb -0.02 -2.10 -0.06 0.00 0.10 0.00 0.00 66.02 63.94 1o5p s SER 66 CO 0.00 0.18 -0.03 -1.48 0.98 0.00 0.00 173.24 172.90 1o5p s LEU 67 N 0.27 2.34 -0.24 2.42 0.05 -0.19 -4.90 118.68 118.43 1o5p s LEU 67 Ca 0.10 -1.22 -0.14 0.00 0.05 0.00 0.00 54.13 52.92 1o5p s LEU 67 Cb -0.11 -0.46 -0.04 0.00 -2.05 0.00 0.00 46.19 43.52 1o5p s LEU 67 CO -0.01 -0.44 0.31 0.42 -0.55 0.00 0.00 176.35 176.09 1o5p s THR 68 N -3.21 5.24 0.01 5.48 -4.23 -1.00 0.33 115.64 118.26 1o5p s THR 68 Ca 0.30 0.48 0.02 0.00 -1.18 0.00 0.00 61.69 61.30 1o5p s THR 68 Cb 0.05 -3.64 -0.01 0.00 1.34 0.00 0.00 72.50 70.24 1o5p s THR 68 CO 0.11 0.25 -0.06 0.68 -0.54 0.00 0.00 174.62 175.06 1o5p s VAL 69 N 1.50 0.44 0.00 2.29 -7.23 -0.77 -3.95 120.40 112.69 1o5p s VAL 69 Ca 0.14 -0.41 0.00 0.00 -1.81 0.00 0.00 61.98 59.90 1o5p s VAL 69 Cb -0.15 -0.41 0.00 0.00 0.56 0.00 0.00 36.38 36.39 1o5p s VAL 69 CO 0.08 0.01 0.00 -2.11 -0.31 0.00 0.00 175.10 172.77 1o5p n ARG 70 N 2.63 0.33 0.00 4.82 1.85 -1.26 -4.20 116.66 120.83 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 0.57 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 -1.90 2.89 3.00 -1.26 -4.72 116.66 114.68 1o5p n ARG 71 Ca 0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 57.85 57.43 1o5p n ARG 71 Cb 0.00 -0.47 -0.01 0.00 0.00 0.00 0.00 32.46 31.98 1o5p n ARG 71 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 1o5p s SER 72 N -1.30 6.48 -0.28 0.55 0.01 -1.26 -1.52 113.70 116.38 1o5p s SER 72 Ca 0.00 2.91 -0.22 0.00 1.31 0.00 0.00 55.95 59.95 1o5p s SER 72 Cb 0.00 -2.65 0.10 0.00 0.21 0.00 0.00 66.02 63.68 1o5p s SER 72 CO 0.00 -0.78 0.86 0.72 0.41 0.00 0.00 173.24 174.45 1o5p s PHE 73 N -0.83 -0.70 -0.30 2.43 -0.71 -0.76 -4.83 117.98 112.28 1o5p s PHE 73 Ca 0.54 1.59 -0.33 0.00 -1.04 0.00 0.00 56.93 57.69 1o5p s PHE 73 Cb -0.45 0.37 -0.14 0.00 -1.21 0.00 0.00 43.02 41.59 1o5p s PHE 73 CO 0.56 -0.34 1.09 -1.91 -1.34 0.00 0.00 175.22 173.28 1o5p n GLU 74 N 2.92 0.00 -1.65 1.99 0.00 -1.26 -1.59 120.64 121.04 1o5p n GLU 74 Ca -0.15 0.00 -0.32 0.00 0.00 0.00 0.00 57.16 56.69 1o5p n GLU 74 Cb 0.56 -1.07 -0.02 0.00 0.00 0.00 0.00 31.44 30.91 1o5p n GLU 74 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1o5p n GLY 75 N 2.59 4.76 3.39 8.31 0.00 -0.52 -2.63 105.19 121.09 1o5p n GLY 75 Ca 0.21 -2.09 -0.62 0.00 0.00 0.00 0.00 46.02 43.52 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 0.44 1.35 -2.93 1.61 3.01 0.39 -2.31 117.46 119.02 1o5p n PHE 76 Ca 0.51 0.89 -0.41 0.00 1.01 0.00 0.00 57.45 59.45 1o5p n PHE 76 Cb 0.44 -2.25 -0.04 0.00 -0.01 0.00 0.00 39.48 37.62 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 4.95 4.26 -0.24 4.37 2.96 -0.64 -1.78 118.68 132.56 1o5p s LEU 77 Ca 1.14 1.25 -0.02 0.00 -0.22 0.00 0.00 54.13 56.28 1o5p s LEU 77 Cb -1.49 -3.22 -0.02 0.00 0.50 0.00 0.00 46.19 41.97 1o5p s LEU 77 CO 0.71 -0.26 1.30 0.33 -1.32 0.00 0.00 176.35 177.10 1o5p n PHE 78 N 4.45 0.36 -1.92 5.38 7.35 -1.21 -2.87 117.46 128.99 1o5p n PHE 78 Ca 0.02 -0.84 0.00 0.00 -0.76 0.00 0.00 57.45 55.87 1o5p n PHE 78 Cb 0.50 -0.88 0.00 0.00 0.35 0.00 0.00 39.48 39.45 1o5p n PHE 78 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 1o5p n ASP 79 N 4.44 0.00 0.00 -2.13 -0.08 -1.26 -4.98 116.55 112.54 1o5p n ASP 79 Ca 0.13 -0.92 0.00 0.00 -1.51 0.00 0.00 54.79 52.49 1o5p n ASP 79 Cb 0.06 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.52 1o5p n ASP 79 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1o5p n GLY 80 N 0.00 2.79 3.92 0.27 0.00 -1.14 -4.99 105.19 106.04 1o5p n GLY 80 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.01 5.06 -0.15 2.61 -4.23 -1.26 -4.96 115.64 111.70 1o5p s THR 81 Ca 0.00 -0.10 -0.06 0.00 -1.18 0.00 0.00 61.69 60.35 1o5p s THR 81 Cb 0.00 -3.77 -0.04 0.00 1.34 0.00 0.00 72.50 70.03 1o5p s THR 81 CO 0.00 -0.40 0.05 0.00 -0.54 0.00 0.00 174.62 173.73 1o5p s ARG 82 N -3.78 3.64 0.38 3.99 3.03 -1.26 -1.62 118.95 123.32 1o5p s ARG 82 Ca 0.43 -0.35 0.24 0.00 2.03 0.00 0.00 55.73 58.08 1o5p s ARG 82 Cb -0.10 -3.08 0.45 0.00 -1.03 0.00 0.00 34.95 31.18 1o5p s ARG 82 CO 0.32 0.44 1.64 2.35 -1.13 0.00 0.00 175.30 178.92 1o5p h TRP 83 N 6.08 0.00 0.00 5.89 7.01 -1.79 -3.46 115.95 129.69 1o5p h TRP 83 Ca -0.42 0.00 0.00 0.00 2.11 0.00 0.00 58.89 60.58 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 0.60 0.00 0.00 0.41 -2.79 0.00 0.00 178.44 176.66 1o5p n GLY 84 N 1.15 1.18 3.60 2.65 0.00 -1.26 -4.89 105.19 107.61 1o5p n GLY 84 Ca 0.04 -2.16 -0.43 0.00 0.00 0.00 0.00 46.02 43.47 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 -1.41 3.14 -0.58 2.61 -4.23 -1.26 -1.44 115.64 112.47 1o5p s THR 85 Ca 0.00 0.14 -0.26 0.00 -1.18 0.00 0.00 61.69 60.39 1o5p s THR 85 Cb 0.00 -3.20 0.04 0.00 1.34 0.00 0.00 72.50 70.68 1o5p s THR 85 CO 0.00 -0.13 1.10 -0.69 -0.54 0.00 0.00 174.62 174.36 1o5p s VAL 86 N 8.06 4.14 -0.24 2.29 1.01 -0.62 -4.72 120.40 130.32 1o5p s VAL 86 Ca 0.94 0.61 -0.29 0.00 0.00 0.00 0.00 61.98 63.24 1o5p s VAL 86 Cb -0.29 -4.67 -0.03 0.00 0.00 0.00 0.00 36.38 31.38 1o5p s VAL 86 CO 0.34 -1.30 1.87 -1.81 0.00 0.00 0.00 175.10 174.20 1o5p s ASP 87 N 2.99 5.97 0.00 3.32 1.01 -1.26 -1.82 116.67 126.88 1o5p s ASP 87 Ca 0.37 1.67 0.08 0.00 0.71 0.00 0.00 52.55 55.38 1o5p s ASP 87 Cb -0.10 -2.52 0.40 0.00 1.01 0.00 0.00 42.92 41.71 1o5p s ASP 87 CO 0.22 -1.58 1.07 0.00 0.21 0.00 0.00 175.17 175.09 1o5p n THR 89 N -1.24 0.00 -0.05 0.00 -2.24 -1.26 -4.08 114.28 105.41 1o5p n THR 89 Ca 0.04 -0.14 -0.10 0.00 -2.27 0.00 0.00 64.05 61.57 1o5p n THR 89 Cb 0.05 0.07 -0.04 0.00 -2.10 0.00 0.00 70.33 68.32 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 -0.34 0.53 -3.72 4.28 -2.24 -0.25 -5.06 114.28 107.49 1o5p n THR 90 Ca 0.21 -0.14 -0.25 0.00 -2.27 0.00 0.00 64.05 61.60 1o5p n THR 90 Cb 0.25 -1.61 0.01 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 s ALA 91 N -2.18 4.56 -0.32 6.98 0.00 -1.20 -5.10 121.76 124.51 1o5p s ALA 91 Ca -0.14 -1.37 -0.11 0.00 0.00 0.00 0.00 51.96 50.35 1o5p s ALA 91 Cb 0.05 -0.87 -0.01 0.00 0.00 0.00 0.00 23.12 22.29 1o5p s ALA 91 CO 0.17 -0.58 0.18 0.00 0.00 0.00 0.00 175.76 175.53 1o5p s ALA 92 N -2.79 3.35 -0.23 0.00 0.00 -1.26 -4.70 121.76 116.12 1o5p s ALA 92 Ca 0.39 -1.37 -0.14 0.00 0.00 0.00 0.00 51.96 50.84 1o5p s ALA 92 Cb -0.03 -2.47 -0.04 0.00 0.00 0.00 0.00 23.12 20.58 1o5p s ALA 92 CO 0.24 -0.91 0.30 0.00 0.00 0.00 0.00 175.76 175.40 1o5p s GLN 94 N 1.42 3.10 -0.40 0.00 -0.21 -0.68 -2.49 119.66 120.40 1o5p s GLN 94 Ca 0.13 -0.55 -0.13 0.00 0.02 0.00 0.00 55.36 54.84 1o5p s GLN 94 Cb -0.15 -2.86 0.03 0.00 1.00 0.00 0.00 33.01 31.03 1o5p s GLN 94 CO 0.07 0.61 0.26 0.08 -2.12 0.00 0.00 175.29 174.19 1o5p s VAL 95 N -1.36 4.89 0.19 1.09 1.01 0.17 -2.21 120.40 124.18 1o5p s VAL 95 Ca 0.29 -0.81 0.02 0.00 0.00 0.00 0.00 61.98 61.48 1o5p s VAL 95 Cb -0.12 -3.75 -0.01 0.00 0.00 0.00 0.00 36.38 32.50 1o5p s VAL 95 CO 0.21 -0.30 0.21 0.61 0.00 0.00 0.00 175.10 175.84 1o5p n GLY 96 N 5.07 3.00 2.99 4.51 0.00 -1.05 0.29 105.19 120.01 1o5p n GLY 96 Ca -0.11 -1.66 -0.25 0.00 0.00 0.00 0.00 46.02 44.00 1o5p n GLY 96 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1o5p n LEU 97 N 0.00 0.00 -3.64 0.99 4.32 -1.24 -2.15 117.00 115.28 1o5p n LEU 97 Ca 0.02 -2.52 0.00 0.00 -0.02 0.00 0.00 56.01 53.50 1o5p n LEU 97 Cb 0.33 0.20 -0.01 0.00 -1.62 0.00 0.00 43.42 42.33 1o5p n LEU 97 CO 0.17 -0.41 0.99 -0.94 -1.22 0.00 0.00 177.39 175.98 1o5p s SER 98 N -3.36 -0.09 0.00 -1.43 1.04 -0.13 -4.39 113.70 105.35 1o5p s SER 98 Ca 0.07 -0.18 0.14 0.00 0.48 0.00 0.00 55.95 56.46 1o5p s SER 98 Cb -0.01 0.23 -0.13 0.00 0.10 0.00 0.00 66.02 66.21 1o5p s SER 98 CO 0.04 -0.42 0.62 0.47 0.98 0.00 0.00 173.24 174.93 1o5p n ASP 99 N -0.47 0.76 -1.09 7.02 8.00 -1.23 0.26 116.55 129.81 1o5p n ASP 99 Ca -0.08 -0.88 -0.06 0.00 0.71 0.00 0.00 54.79 54.48 1o5p n ASP 99 Cb 0.62 0.93 0.01 0.00 -0.02 0.00 0.00 41.12 42.67 1o5p n ASP 99 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1o5p n ALA 100 N -1.18 -0.28 0.00 2.24 0.00 -1.26 -4.79 120.51 115.24 1o5p n ALA 100 Ca 0.03 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1o5p n ALA 100 Cb 0.23 -1.52 0.00 0.00 0.00 0.00 0.00 19.45 18.15 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 -2.66 1.57 0.00 0.00 0.00 -1.26 -5.04 120.51 113.12 1o5p n ALA 101 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1o5p n ALA 101 Cb 0.52 0.07 0.00 0.00 0.00 0.00 0.00 19.45 20.04 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 1.41 -0.08 3.27 0.00 0.00 -1.26 -5.15 105.19 103.37 1o5p n GLY 102 Ca 0.00 -0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.92 -0.65 1.61 5.03 -1.26 -5.06 115.26 113.01 1o5p n ASN 103 Ca 0.00 -2.44 0.00 0.00 0.87 0.00 0.00 54.58 53.01 1o5p n ASN 103 Cb 0.00 3.23 0.00 0.00 -1.02 0.00 0.00 39.78 41.99 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 -0.48 0.71 2.97 7.41 0.00 -1.26 -3.53 105.19 111.01 1o5p n GLY 104 Ca -0.07 -0.75 -0.15 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.03 -1.63 1.61 -0.02 -1.26 -4.93 135.00 126.74 1o5p n PRO 105 Ca 0.00 -0.60 -0.13 0.00 -2.02 0.00 0.00 63.50 60.75 1o5p n PRO 105 Cb 0.00 -1.40 0.07 0.00 -0.02 0.00 0.00 33.50 32.15 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 -1.28 0.18 -4.46 -0.52 0.28 -1.26 -4.61 120.64 108.98 1o5p n GLU 106 Ca 0.05 -1.44 -0.23 0.00 -0.16 0.00 0.00 57.16 55.39 1o5p n GLU 106 Cb 0.29 -0.37 -0.10 0.00 1.43 0.00 0.00 31.44 32.68 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 -3.87 1.86 -0.15 -1.84 0.00 -1.26 -3.62 107.32 98.43 1o5p s GLY 107 Ca 0.36 -1.89 -0.06 0.00 0.00 0.00 0.00 44.72 43.13 1o5p s GLY 107 CO 0.24 -1.92 0.05 0.14 0.00 0.00 0.00 173.10 171.60 1o5p s VAL 108 N -2.69 4.66 -0.13 1.40 1.01 0.15 -4.76 120.40 120.03 1o5p s VAL 108 Ca 0.29 -0.09 -0.29 0.00 0.00 0.00 0.00 61.98 61.88 1o5p s VAL 108 Cb -0.01 -3.06 -0.02 0.00 0.00 0.00 0.00 36.38 33.29 1o5p s VAL 108 CO 0.13 0.51 1.21 0.00 0.00 0.00 0.00 175.10 176.95 1o5p s ALA 109 N -0.04 3.59 0.53 5.51 0.00 -1.26 0.41 121.76 130.50 1o5p s ALA 109 Ca 0.05 0.48 0.07 0.00 0.00 0.00 0.00 51.96 52.56 1o5p s ALA 109 Cb -0.12 -3.57 0.06 0.00 0.00 0.00 0.00 23.12 19.48 1o5p s ALA 109 CO 0.01 -0.99 0.73 0.96 0.00 0.00 0.00 175.76 176.47 1o5p s ILE 110 N 2.95 2.54 0.05 0.00 -4.36 -1.04 -4.84 121.20 116.50 1o5p s ILE 110 Ca 0.54 -0.90 -0.01 0.00 -0.26 0.00 0.00 60.65 60.02 1o5p s ILE 110 Cb -0.22 -2.64 -0.04 0.00 1.25 0.00 0.00 42.46 40.82 1o5p s ILE 110 CO 0.16 0.00 -0.02 -0.44 0.24 0.00 0.00 174.94 174.88 1o5p s SER 111 N -4.52 0.43 -0.04 4.36 0.01 0.17 -4.74 113.70 109.39 1o5p s SER 111 Ca 0.59 -0.90 0.01 0.00 1.31 0.00 0.00 55.95 56.96 1o5p s SER 111 Cb -0.08 0.19 0.02 0.00 0.21 0.00 0.00 66.02 66.36 1o5p s SER 111 CO 0.37 -0.55 -0.04 -0.36 0.41 0.00 0.00 173.24 173.07 1o5p s PHE 112 N -3.47 0.64 -0.49 2.43 0.08 -1.26 -3.05 117.98 112.86 1o5p s PHE 112 Ca 0.03 -0.15 0.00 0.00 0.12 0.00 0.00 56.93 56.92 1o5p s PHE 112 Cb 0.05 -0.57 0.00 0.00 -0.57 0.00 0.00 43.02 41.92 1o5p s PHE 112 CO -0.08 -0.15 0.12 0.27 -0.10 0.00 0.00 175.22 175.28