#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1o5p s ALA 2 N 0.00 3.90 0.77 0.00 0.00 -1.26 -4.79 121.76 120.37 1o5p s ALA 2 Ca 0.00 -1.30 -0.14 0.00 0.00 0.00 0.00 51.96 50.52 1o5p s ALA 2 Cb 0.00 -1.63 0.06 0.00 0.00 0.00 0.00 23.12 21.55 1o5p s ALA 2 CO 0.00 0.20 1.20 -1.25 0.00 0.00 0.00 175.76 175.92 1o5p s PRO 3 N -3.98 1.91 0.00 0.00 0.04 -0.66 -3.85 135.00 128.46 1o5p s PRO 3 Ca 0.35 1.73 0.00 0.00 0.04 0.00 0.00 61.00 63.13 1o5p s PRO 3 Cb -0.09 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.64 1o5p s PRO 3 CO 0.28 -2.01 0.00 -2.37 0.04 0.00 0.00 177.00 172.95 1o5p n THR 4 N -3.02 0.00 -3.64 1.26 5.66 0.39 -4.84 114.28 110.09 1o5p n THR 4 Ca 0.13 0.00 -0.05 0.00 -3.05 0.00 0.00 64.05 61.09 1o5p n THR 4 Cb 0.50 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 -2.15 -0.49 1.79 0.00 -1.25 -1.00 121.76 117.66 1o5p s ALA 5 Ca 0.00 2.15 -0.16 0.00 0.00 0.00 0.00 51.96 53.95 1o5p s ALA 5 Cb 0.00 -1.61 0.08 0.00 0.00 0.00 0.00 23.12 21.60 1o5p s ALA 5 CO 0.00 -0.32 0.43 0.95 0.00 0.00 0.00 175.76 176.81 1o5p s THR 6 N 1.10 5.21 -0.19 0.00 -4.23 0.31 -4.77 115.64 113.06 1o5p s THR 6 Ca -0.06 -1.11 0.01 0.00 -1.18 0.00 0.00 61.69 59.35 1o5p s THR 6 Cb -0.04 -4.17 0.03 0.00 1.34 0.00 0.00 72.50 69.66 1o5p s THR 6 CO -0.13 -0.64 -0.15 -0.69 -0.54 0.00 0.00 174.62 172.46 1o5p s VAL 7 N 1.69 1.92 -0.12 2.29 1.01 -1.24 0.14 120.40 126.08 1o5p s VAL 7 Ca 0.04 -1.03 -0.30 0.00 0.00 0.00 0.00 61.98 60.69 1o5p s VAL 7 Cb -0.25 -1.84 0.11 0.00 0.00 0.00 0.00 36.38 34.39 1o5p s VAL 7 CO 0.06 0.35 0.89 -0.89 0.00 0.00 0.00 175.10 175.51 1o5p s THR 8 N 1.31 0.00 0.49 3.92 2.01 -0.66 -4.42 115.64 118.28 1o5p s THR 8 Ca 0.01 0.00 -0.19 0.00 0.31 0.00 0.00 61.69 61.82 1o5p s THR 8 Cb -0.15 -1.00 -0.08 0.00 0.01 0.00 0.00 72.50 71.28 1o5p s THR 8 CO -0.10 0.00 1.00 -2.16 -0.69 0.00 0.00 174.62 172.67 1o5p s PRO 9 N -1.14 3.91 0.01 4.92 0.05 -1.26 -1.24 135.00 140.24 1o5p s PRO 9 Ca -0.05 1.16 0.18 0.00 0.05 0.00 0.00 61.00 62.34 1o5p s PRO 9 Cb -0.00 -2.12 -0.18 0.00 0.05 0.00 0.00 34.50 32.25 1o5p s PRO 9 CO 0.04 -0.32 0.67 -1.13 0.05 0.00 0.00 177.00 176.31 1o5p n SER 10 N -1.16 0.63 -4.26 6.66 3.41 -1.26 -4.78 113.62 112.85 1o5p n SER 10 Ca 0.08 0.27 -0.15 0.00 -0.26 0.00 0.00 58.87 58.82 1o5p n SER 10 Cb 0.53 0.51 -0.10 0.00 -0.26 0.00 0.00 64.21 64.89 1o5p n SER 10 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1o5p s SER 11 N -5.58 1.73 -0.18 4.04 0.01 -1.26 0.63 113.70 113.10 1o5p s SER 11 Ca -0.05 -1.06 -0.01 0.00 1.31 0.00 0.00 55.95 56.14 1o5p s SER 11 Cb 0.09 0.01 0.00 0.00 0.21 0.00 0.00 66.02 66.33 1o5p s SER 11 CO 0.83 -0.39 0.09 0.61 0.41 0.00 0.00 173.24 174.79 1o5p n GLY 12 N -0.24 0.60 0.13 3.44 0.00 -1.15 -4.91 105.19 103.06 1o5p n GLY 12 Ca -0.09 -0.64 -0.22 0.00 0.00 0.00 0.00 46.02 45.07 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 -0.81 2.46 -1.06 0.99 4.77 -1.26 -5.06 117.00 117.02 1o5p n LEU 13 Ca -0.01 0.24 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 1o5p n LEU 13 Cb 0.51 -1.06 0.00 0.00 -2.33 0.00 0.00 43.42 40.54 1o5p n LEU 13 CO 0.06 0.72 -0.31 -0.24 -1.33 0.00 0.00 177.39 176.29 1o5p n SER 14 N -3.72 -5.95 -4.48 -1.43 2.88 -1.26 -3.80 113.62 95.86 1o5p n SER 14 Ca -0.34 0.99 -0.45 0.00 -1.33 0.00 0.00 58.87 57.73 1o5p n SER 14 Cb 0.95 -2.97 -0.08 0.00 -0.75 0.00 0.00 64.21 61.37 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 -1.39 1.78 0.00 -3.46 5.75 -1.26 -1.97 116.55 116.00 1o5p n ASP 15 Ca 0.00 0.15 0.00 0.00 -0.01 0.00 0.00 54.79 54.93 1o5p n ASP 15 Cb 0.11 -1.27 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 6.43 1.56 0.78 6.12 0.00 -1.26 -5.05 105.19 113.76 1o5p n GLY 16 Ca 0.45 0.00 -0.05 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 -0.35 0.00 -4.57 2.61 5.66 -0.83 -4.97 114.28 111.83 1o5p n THR 17 Ca 0.00 -0.42 -0.22 0.00 -3.05 0.00 0.00 64.05 60.37 1o5p n THR 17 Cb 0.00 -0.66 -0.15 0.00 -1.55 0.00 0.00 70.33 67.97 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 -0.12 1.01 0.19 1.08 1.01 -1.26 -2.09 120.40 120.21 1o5p s VAL 18 Ca 0.09 -0.53 0.10 0.00 0.00 0.00 0.00 61.98 61.64 1o5p s VAL 18 Cb -0.01 -0.86 -0.04 0.00 0.00 0.00 0.00 36.38 35.47 1o5p s VAL 18 CO 0.06 0.29 -0.13 0.68 0.00 0.00 0.00 175.10 176.00 1o5p s VAL 19 N -0.15 2.98 -0.35 2.92 -7.23 0.16 -4.73 120.40 114.00 1o5p s VAL 19 Ca 0.02 -1.78 -0.07 0.00 -1.81 0.00 0.00 61.98 58.34 1o5p s VAL 19 Cb -0.07 -2.48 0.04 0.00 0.56 0.00 0.00 36.38 34.44 1o5p s VAL 19 CO 0.00 -0.13 0.13 -0.75 -0.31 0.00 0.00 175.10 174.03 1o5p s LYS 20 N -2.85 2.61 -0.22 4.82 2.20 -0.37 -1.02 119.74 124.90 1o5p s LYS 20 Ca 0.24 -1.22 -0.06 0.00 -0.36 0.00 0.00 55.97 54.57 1o5p s LYS 20 Cb -0.08 -3.51 -0.03 0.00 -1.51 0.00 0.00 37.83 32.70 1o5p s LYS 20 CO 0.14 -0.71 0.03 0.54 -0.36 0.00 0.00 175.35 174.99 1o5p s VAL 21 N 1.40 4.13 0.37 4.02 0.11 -0.86 -1.66 120.40 127.90 1o5p s VAL 21 Ca -0.01 -0.25 0.08 0.00 -2.93 0.00 0.00 61.98 58.88 1o5p s VAL 21 Cb -0.20 -2.89 -0.07 0.00 -1.53 0.00 0.00 36.38 31.69 1o5p s VAL 21 CO 0.03 0.40 -0.04 0.00 -3.33 0.00 0.00 175.10 172.15 1o5p s ALA 22 N 1.20 2.97 0.02 1.54 0.00 0.36 -2.23 121.76 125.61 1o5p s ALA 22 Ca 0.04 -2.16 0.04 0.00 0.00 0.00 0.00 51.96 49.87 1o5p s ALA 22 Cb -0.14 0.10 -0.02 0.00 0.00 0.00 0.00 23.12 23.05 1o5p s ALA 22 CO 0.02 -0.03 -0.12 0.20 0.00 0.00 0.00 175.76 175.83 1o5p s GLY 23 N -3.63 0.67 -0.14 0.00 0.00 0.37 -0.53 107.32 104.06 1o5p s GLY 23 Ca 0.33 -0.70 -0.06 0.00 0.00 0.00 0.00 44.72 44.30 1o5p s GLY 23 CO 0.17 -0.67 0.30 0.00 0.00 0.00 0.00 173.10 172.90 1o5p s ALA 24 N -0.71 -0.71 0.00 3.20 0.00 -0.17 0.24 121.76 123.62 1o5p s ALA 24 Ca 0.01 1.11 0.00 0.00 0.00 0.00 0.00 51.96 53.08 1o5p s ALA 24 Cb -0.07 -0.98 0.00 0.00 0.00 0.00 0.00 23.12 22.07 1o5p s ALA 24 CO 0.01 -0.53 0.00 0.41 0.00 0.00 0.00 175.76 175.65 1o5p n GLY 25 N 5.00 1.13 3.98 0.00 0.00 -0.98 0.15 105.19 114.46 1o5p n GLY 25 Ca -0.12 -0.44 -0.24 0.00 0.00 0.00 0.00 46.02 45.22 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 3.00 -0.76 0.99 1.43 -0.93 -1.65 118.68 120.75 1o5p s LEU 26 Ca 0.00 -0.16 -0.29 0.00 -1.03 0.00 0.00 54.13 52.65 1o5p s LEU 26 Cb 0.00 -2.30 -0.15 0.00 0.03 0.00 0.00 46.19 43.76 1o5p s LEU 26 CO 0.00 -1.76 2.56 0.00 0.23 0.00 0.00 176.35 177.38 1o5p n GLN 27 N -2.82 0.46 -1.35 1.70 3.00 -1.26 -4.08 117.38 113.03 1o5p n GLN 27 Ca 0.13 0.01 -0.15 0.00 -0.01 0.00 0.00 57.00 56.97 1o5p n GLN 27 Cb 0.60 -2.34 -0.10 0.00 0.00 0.00 0.00 30.24 28.41 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 12.73 0.30 0.00 -1.58 0.00 -1.23 -1.20 120.51 129.53 1o5p n ALA 28 Ca 0.53 -2.05 0.00 0.00 0.00 0.00 0.00 53.44 51.92 1o5p n ALA 28 Cb 0.25 -2.88 0.00 0.00 0.00 0.00 0.00 19.45 16.82 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 5.69 0.48 2.59 0.00 0.00 0.93 -4.83 105.19 110.04 1o5p n GLY 29 Ca 0.34 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.05 -0.39 2.61 -4.23 -0.34 -4.87 115.64 107.74 1o5p s THR 30 Ca 0.00 -0.44 -0.37 0.00 -1.18 0.00 0.00 61.69 59.70 1o5p s THR 30 Cb 0.00 -0.77 -0.13 0.00 1.34 0.00 0.00 72.50 72.94 1o5p s THR 30 CO 0.00 -0.47 2.19 0.00 -0.54 0.00 0.00 174.62 175.79 1o5p n ALA 31 N 5.26 0.88 -2.82 3.99 0.00 -1.26 -2.72 120.51 123.83 1o5p n ALA 31 Ca -0.07 -0.01 -0.28 0.00 0.00 0.00 0.00 53.44 53.09 1o5p n ALA 31 Cb 0.46 -2.44 -0.05 0.00 0.00 0.00 0.00 19.45 17.41 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 7.08 3.24 0.16 0.00 2.02 0.14 -4.65 117.35 125.34 1o5p s TYR 32 Ca 1.12 0.05 0.04 0.00 -0.37 0.00 0.00 57.07 57.91 1o5p s TYR 32 Cb -1.00 -1.58 -0.04 0.00 -0.40 0.00 0.00 41.96 38.94 1o5p s TYR 32 CO 0.53 0.52 0.21 -0.51 -1.57 0.00 0.00 175.55 174.73 1o5p s ASP 33 N -2.89 5.88 -0.08 2.29 1.01 0.83 -1.73 116.67 121.97 1o5p s ASP 33 Ca 0.31 -0.01 0.02 0.00 0.71 0.00 0.00 52.55 53.59 1o5p s ASP 33 Cb -0.11 -1.64 0.01 0.00 1.01 0.00 0.00 42.92 42.19 1o5p s ASP 33 CO 0.24 0.05 -0.14 -0.69 0.21 0.00 0.00 175.17 174.84 1o5p s VAL 34 N -1.77 1.32 -0.00 -1.27 1.01 -0.98 -1.35 120.40 117.35 1o5p s VAL 34 Ca 0.33 -0.56 -0.29 0.00 0.00 0.00 0.00 61.98 61.45 1o5p s VAL 34 Cb -0.10 -1.21 0.11 0.00 0.00 0.00 0.00 36.38 35.18 1o5p s VAL 34 CO 0.26 0.40 1.27 -0.83 0.00 0.00 0.00 175.10 176.20 1o5p s GLY 35 N 0.81 -0.27 -0.42 4.51 0.00 -0.93 0.48 107.32 111.50 1o5p s GLY 35 Ca -0.11 0.37 -0.14 0.00 0.00 0.00 0.00 44.72 44.84 1o5p s GLY 35 CO 0.02 2.47 0.30 -0.86 0.00 0.00 0.00 173.10 175.03 1o5p s GLN 36 N -2.25 2.93 0.06 2.90 -2.07 -1.26 -2.62 119.66 117.35 1o5p s GLN 36 Ca 0.21 -1.12 0.05 0.00 -1.82 0.00 0.00 55.36 52.68 1o5p s GLN 36 Cb 0.02 -3.96 -0.03 0.00 -1.09 0.00 0.00 33.01 27.96 1o5p s GLN 36 CO -0.02 -0.81 -0.15 0.00 -1.32 0.00 0.00 175.29 172.99 1o5p s ALA 38 N -1.05 1.88 -0.35 0.00 0.00 -0.83 -1.60 121.76 119.80 1o5p s ALA 38 Ca 0.01 -0.96 -0.17 0.00 0.00 0.00 0.00 51.96 50.84 1o5p s ALA 38 Cb -0.09 -0.50 -0.00 0.00 0.00 0.00 0.00 23.12 22.52 1o5p s ALA 38 CO 0.02 0.44 0.46 -1.58 0.00 0.00 0.00 175.76 175.10 1o5p s TRP 39 N -0.45 3.19 -0.76 0.00 0.51 -1.26 -1.95 118.94 118.23 1o5p s TRP 39 Ca 0.06 0.07 0.16 0.00 -2.12 0.00 0.00 56.10 54.27 1o5p s TRP 39 Cb -0.09 -2.84 0.57 0.00 -0.81 0.00 0.00 33.47 30.30 1o5p s TRP 39 CO -0.00 -0.51 1.48 1.33 -0.51 0.00 0.00 176.95 178.74 1o5p n VAL 40 N 5.36 1.81 -1.31 4.03 0.24 -0.91 -4.76 118.33 122.80 1o5p n VAL 40 Ca -0.06 -1.36 0.00 0.00 -2.04 0.00 0.00 64.34 60.88 1o5p n VAL 40 Cb 0.49 0.09 0.00 0.00 -1.47 0.00 0.00 33.84 32.95 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 0.47 0.00 -4.55 -1.34 9.92 -1.26 -4.95 116.55 114.84 1o5p n ASP 41 Ca 0.21 0.00 -0.35 0.00 -0.53 0.00 0.00 54.79 54.12 1o5p n ASP 41 Cb 0.79 0.00 -0.04 0.00 -0.64 0.00 0.00 41.12 41.24 1o5p n ASP 41 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 1o5p s THR 42 N -2.40 3.40 0.00 -3.53 -1.32 -1.26 -2.80 115.64 107.73 1o5p s THR 42 Ca 0.00 0.04 0.00 0.00 -1.21 0.00 0.00 61.69 60.52 1o5p s THR 42 Cb 0.00 -4.01 0.00 0.00 -1.51 0.00 0.00 72.50 66.98 1o5p s THR 42 CO 0.00 -0.97 0.00 0.61 -2.21 0.00 0.00 174.62 172.05 1o5p n GLY 43 N 6.03 0.63 3.14 6.08 0.00 -1.26 -5.04 105.19 114.76 1o5p n GLY 43 Ca 0.25 -0.76 -0.35 0.00 0.00 0.00 0.00 46.02 45.17 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 2.94 -0.33 1.61 1.01 -1.12 -4.97 120.40 117.54 1o5p s VAL 44 Ca 0.00 -1.68 0.01 0.00 0.00 0.00 0.00 61.98 60.31 1o5p s VAL 44 Cb 0.00 -2.83 0.08 0.00 0.00 0.00 0.00 36.38 33.63 1o5p s VAL 44 CO 0.00 -0.31 0.04 -0.22 0.00 0.00 0.00 175.10 174.61 1o5p s LEU 45 N 1.18 4.38 -0.42 3.92 2.96 -1.26 -2.13 118.68 127.30 1o5p s LEU 45 Ca -0.00 -1.73 -0.16 0.00 -0.22 0.00 0.00 54.13 52.01 1o5p s LEU 45 Cb -0.20 -1.68 0.03 0.00 0.50 0.00 0.00 46.19 44.83 1o5p s LEU 45 CO -0.03 -0.35 0.39 0.00 -1.32 0.00 0.00 176.35 175.05 1o5p s ALA 46 N 1.10 3.45 0.33 5.97 0.00 -0.82 -3.43 121.76 128.35 1o5p s ALA 46 Ca 0.02 -1.64 0.07 0.00 0.00 0.00 0.00 51.96 50.41 1o5p s ALA 46 Cb -0.20 -3.01 -0.03 0.00 0.00 0.00 0.00 23.12 19.88 1o5p s ALA 46 CO -0.05 -1.57 0.28 0.00 0.00 0.00 0.00 175.76 174.43 1o5p s ASN 48 N -3.98 5.08 0.00 0.00 3.84 -0.84 -0.36 114.94 118.68 1o5p s ASN 48 Ca 0.40 0.01 0.00 0.00 0.21 0.00 0.00 52.86 53.49 1o5p s ASN 48 Cb -0.06 -1.66 0.00 0.00 -0.55 0.00 0.00 41.25 38.99 1o5p s ASN 48 CO 0.26 0.26 0.48 -0.81 -2.79 0.00 0.00 177.10 174.51 1o5p n PRO 49 N 2.93 0.75 -0.06 0.43 -0.04 -1.26 -3.06 135.00 134.70 1o5p n PRO 49 Ca -0.18 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.31 1o5p n PRO 49 Cb 0.53 -1.30 0.05 0.00 -0.04 0.00 0.00 33.50 32.74 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 0.27 2.20 -1.42 0.55 0.00 -1.26 -4.46 120.51 116.39 1o5p n ALA 50 Ca 0.00 -0.91 0.01 0.00 0.00 0.00 0.00 53.44 52.54 1o5p n ALA 50 Cb 0.24 -0.19 0.01 0.00 0.00 0.00 0.00 19.45 19.51 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 0.05 0.22 -4.56 0.00 5.75 -1.17 -2.42 116.55 114.42 1o5p n ASP 51 Ca 0.05 -1.62 -0.39 0.00 -0.01 0.00 0.00 54.79 52.82 1o5p n ASP 51 Cb 0.27 -0.12 -0.03 0.00 -1.03 0.00 0.00 41.12 40.21 1o5p n ASP 51 CO 0.00 0.00 0.00 -0.36 -0.11 0.00 0.00 177.20 176.73 1o5p s PHE 52 N -0.20 2.45 0.00 2.11 0.40 -1.23 -3.05 117.98 118.46 1o5p s PHE 52 Ca 0.02 -0.72 0.00 0.00 -0.60 0.00 0.00 56.93 55.63 1o5p s PHE 52 Cb 0.01 -4.60 0.00 0.00 0.51 0.00 0.00 43.02 38.95 1o5p s PHE 52 CO 0.00 -1.87 0.00 0.45 0.70 0.00 0.00 175.22 174.50 1o5p n SER 53 N 9.67 0.00 0.00 1.36 2.88 0.18 -4.88 113.62 122.83 1o5p n SER 53 Ca 0.37 -0.75 0.00 0.00 -1.33 0.00 0.00 58.87 57.16 1o5p n SER 53 Cb 0.50 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.96 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 -2.25 0.00 -3.51 -3.46 2.88 -1.26 -2.33 113.62 103.70 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 -0.60 0.00 -0.06 2.46 0.11 -0.71 -4.99 120.40 116.61 1o5p s VAL 55 Ca 0.00 0.00 -0.07 0.00 -2.93 0.00 0.00 61.98 58.98 1o5p s VAL 55 Cb 0.00 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.81 1o5p s VAL 55 CO 0.00 0.00 0.21 -0.89 -3.33 0.00 0.00 175.10 171.09 1o5p s THR 56 N -2.12 5.39 -0.36 5.04 2.01 -1.26 0.24 115.64 124.59 1o5p s THR 56 Ca -0.03 0.23 -0.27 0.00 0.31 0.00 0.00 61.69 61.92 1o5p s THR 56 Cb -0.01 -3.50 -0.05 0.00 0.01 0.00 0.00 72.50 68.96 1o5p s THR 56 CO -0.01 0.51 2.21 0.00 -0.69 0.00 0.00 174.62 176.65 1o5p s ALA 57 N -1.14 2.30 0.00 7.40 0.00 -1.10 -4.70 121.76 124.52 1o5p s ALA 57 Ca 0.21 0.34 0.00 0.00 0.00 0.00 0.00 51.96 52.50 1o5p s ALA 57 Cb -0.13 -4.18 0.00 0.00 0.00 0.00 0.00 23.12 18.81 1o5p s ALA 57 CO 0.10 -3.46 0.00 -0.40 0.00 0.00 0.00 175.76 172.00 1o5p n ASP 58 N 13.14 0.00 -0.10 0.00 5.75 -1.26 0.31 116.55 134.39 1o5p n ASP 58 Ca 0.31 0.00 -0.06 0.00 -0.01 0.00 0.00 54.79 55.03 1o5p n ASP 58 Cb 0.49 0.00 0.01 0.00 -1.03 0.00 0.00 41.12 40.59 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 0.29 0.00 2.12 0.00 -1.92 -3.17 119.26 114.51 1o5p h ALA 59 Ca 0.00 0.12 -0.34 0.00 0.00 0.00 0.00 54.91 54.69 1o5p h ALA 59 Cb 0.00 0.21 -0.06 0.00 0.00 0.00 0.00 17.79 17.94 1o5p h ALA 59 CO 0.00 -0.43 -2.28 0.09 0.00 0.00 0.00 179.25 176.63 1o5p n ASN 60 N -5.22 1.78 0.00 0.00 3.02 -1.26 -4.54 115.26 109.04 1o5p n ASN 60 Ca 0.01 -0.09 0.00 0.00 -0.03 0.00 0.00 54.58 54.47 1o5p n ASN 60 Cb 0.19 -0.01 0.00 0.00 -0.61 0.00 0.00 39.78 39.35 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 2.27 0.68 3.58 7.41 0.00 -1.20 -2.18 105.19 115.75 1o5p n GLY 61 Ca -0.37 -0.76 -0.35 0.00 0.00 0.00 0.00 46.02 44.54 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 -0.98 5.48 -0.20 1.61 0.01 -1.25 -2.33 113.70 116.04 1o5p s SER 62 Ca 0.00 -0.00 -0.04 0.00 1.31 0.00 0.00 55.95 57.22 1o5p s SER 62 Cb 0.00 -1.95 0.06 0.00 0.21 0.00 0.00 66.02 64.34 1o5p s SER 62 CO 0.00 0.12 0.06 0.00 0.41 0.00 0.00 173.24 173.83 1o5p s ALA 63 N 0.71 0.81 -0.21 1.44 0.00 0.14 -4.62 121.76 120.03 1o5p s ALA 63 Ca 0.03 -0.63 -0.02 0.00 0.00 0.00 0.00 51.96 51.34 1o5p s ALA 63 Cb -0.13 -1.16 0.01 0.00 0.00 0.00 0.00 23.12 21.83 1o5p s ALA 63 CO 0.02 -1.22 -0.10 -1.54 0.00 0.00 0.00 175.76 172.91 1o5p s SER 64 N 1.95 3.85 -0.04 0.00 1.04 -1.26 0.14 113.70 119.38 1o5p s SER 64 Ca 0.01 -0.53 -0.06 0.00 0.48 0.00 0.00 55.95 55.85 1o5p s SER 64 Cb -0.17 -1.63 0.01 0.00 0.10 0.00 0.00 66.02 64.33 1o5p s SER 64 CO -0.11 -0.02 0.15 0.28 0.98 0.00 0.00 173.24 174.52 1o5p s THR 65 N 1.39 0.02 0.05 2.02 -1.32 -0.95 -4.98 115.64 111.88 1o5p s THR 65 Ca 0.05 -0.16 -0.01 0.00 -1.21 0.00 0.00 61.69 60.36 1o5p s THR 65 Cb -0.14 -0.27 -0.04 0.00 -1.51 0.00 0.00 72.50 70.54 1o5p s THR 65 CO -0.07 -0.09 0.22 -0.94 -2.21 0.00 0.00 174.62 171.54 1o5p s SER 66 N -0.25 6.38 0.15 8.08 1.04 -1.26 -2.03 113.70 125.82 1o5p s SER 66 Ca -0.03 0.33 -0.11 0.00 0.48 0.00 0.00 55.95 56.61 1o5p s SER 66 Cb -0.03 -1.99 0.01 0.00 0.10 0.00 0.00 66.02 64.11 1o5p s SER 66 CO 0.00 0.18 0.33 -1.48 0.98 0.00 0.00 173.24 173.26 1o5p s LEU 67 N -2.38 0.78 -0.21 2.42 0.05 -0.19 -4.96 118.68 114.19 1o5p s LEU 67 Ca 0.34 -0.69 -0.14 0.00 0.05 0.00 0.00 54.13 53.69 1o5p s LEU 67 Cb -0.13 1.44 -0.04 0.00 -2.05 0.00 0.00 46.19 45.41 1o5p s LEU 67 CO 0.25 -0.90 0.30 0.42 -0.55 0.00 0.00 176.35 175.88 1o5p s THR 68 N -3.91 5.27 0.01 5.48 -4.23 -1.02 0.37 115.64 117.61 1o5p s THR 68 Ca 0.12 0.50 0.01 0.00 -1.18 0.00 0.00 61.69 61.14 1o5p s THR 68 Cb 0.02 -3.63 -0.01 0.00 1.34 0.00 0.00 72.50 70.22 1o5p s THR 68 CO -0.04 0.31 -0.04 0.68 -0.54 0.00 0.00 174.62 174.99 1o5p s VAL 69 N 1.07 0.30 0.24 2.29 -7.23 -0.89 -4.15 120.40 112.02 1o5p s VAL 69 Ca 0.15 -0.42 -0.00 0.00 -1.81 0.00 0.00 61.98 59.89 1o5p s VAL 69 Cb -0.14 -0.31 0.00 0.00 0.56 0.00 0.00 36.38 36.49 1o5p s VAL 69 CO 0.06 -0.09 0.31 -2.11 -0.31 0.00 0.00 175.10 172.96 1o5p n ARG 70 N 2.52 0.45 0.00 4.82 1.85 -1.26 -4.23 116.66 120.81 1o5p n ARG 70 Ca -0.16 -1.95 0.00 0.00 -1.00 0.00 0.00 57.85 54.74 1o5p n ARG 70 Cb 0.58 1.83 0.00 0.00 -1.05 0.00 0.00 32.46 33.82 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 -0.40 0.00 -1.73 2.89 1.85 -1.26 -4.52 116.66 113.49 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 0.40 0.00 -0.00 0.00 -1.05 0.00 0.00 32.46 31.81 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 3.23 -3.63 2.89 7.64 -1.26 -1.94 113.62 120.54 1o5p n SER 72 Ca 0.00 1.22 -0.12 0.00 1.01 0.00 0.00 58.87 60.98 1o5p n SER 72 Cb 0.00 -1.55 -0.07 0.00 -1.01 0.00 0.00 64.21 61.58 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 -1.10 -0.72 -0.34 1.43 -0.71 -0.70 -4.82 117.98 111.02 1o5p s PHE 73 Ca 0.54 1.72 -0.34 0.00 -1.04 0.00 0.00 56.93 57.81 1o5p s PHE 73 Cb -0.53 0.33 -0.15 0.00 -1.21 0.00 0.00 43.02 41.47 1o5p s PHE 73 CO 0.63 -0.35 1.14 0.39 -1.34 0.00 0.00 175.22 175.69 1o5p n GLU 74 N 2.74 0.00 -1.75 1.99 -0.58 -1.26 -1.42 120.64 120.36 1o5p n GLU 74 Ca -0.14 0.00 -0.34 0.00 -0.42 0.00 0.00 57.16 56.26 1o5p n GLU 74 Cb 0.56 -1.10 -0.01 0.00 -0.57 0.00 0.00 31.44 30.32 1o5p n GLU 74 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1o5p n GLY 75 N 2.79 4.97 3.31 0.62 0.00 -0.52 -2.47 105.19 113.89 1o5p n GLY 75 Ca 0.22 -2.19 -0.61 0.00 0.00 0.00 0.00 46.02 43.45 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 0.24 1.32 -2.98 1.61 3.01 0.52 -2.30 117.46 118.88 1o5p n PHE 76 Ca 0.52 0.87 -0.41 0.00 1.01 0.00 0.00 57.45 59.44 1o5p n PHE 76 Cb 0.38 -2.20 -0.04 0.00 -0.01 0.00 0.00 39.48 37.61 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 4.84 4.24 -0.29 4.37 2.96 -0.69 -1.92 118.68 132.19 1o5p s LEU 77 Ca 1.11 1.16 -0.02 0.00 -0.22 0.00 0.00 54.13 56.17 1o5p s LEU 77 Cb -1.45 -3.14 -0.03 0.00 0.50 0.00 0.00 46.19 42.07 1o5p s LEU 77 CO 0.69 -0.25 1.39 0.33 -1.32 0.00 0.00 176.35 177.19 1o5p n PHE 78 N 4.49 0.43 -2.00 5.38 7.35 -1.22 -2.89 117.46 129.01 1o5p n PHE 78 Ca 0.01 -0.94 0.00 0.00 -0.76 0.00 0.00 57.45 55.77 1o5p n PHE 78 Cb 0.50 -0.95 0.00 0.00 0.35 0.00 0.00 39.48 39.38 1o5p n PHE 78 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 1o5p n ASP 79 N 4.37 0.00 0.00 -2.13 -0.08 -1.26 -4.98 116.55 112.47 1o5p n ASP 79 Ca 0.16 -1.00 0.00 0.00 -1.51 0.00 0.00 54.79 52.44 1o5p n ASP 79 Cb 0.08 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.54 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 2.80 3.92 0.27 0.00 -1.14 -4.99 105.19 106.04 1o5p n GLY 80 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.15 2.61 -4.23 -1.26 -4.97 115.64 111.70 1o5p s THR 81 Ca 0.00 -0.14 -0.07 0.00 -1.18 0.00 0.00 61.69 60.30 1o5p s THR 81 Cb 0.00 -3.74 -0.04 0.00 1.34 0.00 0.00 72.50 70.06 1o5p s THR 81 CO 0.00 -0.27 0.09 0.00 -0.54 0.00 0.00 174.62 173.91 1o5p s ARG 82 N -3.48 3.72 0.27 3.99 1.70 -1.26 -1.71 118.95 122.17 1o5p s ARG 82 Ca 0.41 -0.26 0.25 0.00 -0.47 0.00 0.00 55.73 55.67 1o5p s ARG 82 Cb -0.11 -3.20 0.58 0.00 -0.57 0.00 0.00 34.95 31.65 1o5p s ARG 82 CO 0.30 0.50 1.64 2.35 -1.08 0.00 0.00 175.30 179.00 1o5p h TRP 83 N 5.93 0.00 0.00 5.89 7.01 -1.78 -3.46 115.95 129.54 1o5p h TRP 83 Ca -0.46 0.00 0.00 0.00 2.11 0.00 0.00 58.89 60.54 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 0.64 0.00 0.00 0.41 -2.79 0.00 0.00 178.44 176.70 1o5p n GLY 84 N 1.24 1.16 3.57 2.65 0.00 -1.26 -4.86 105.19 107.69 1o5p n GLY 84 Ca 0.05 -2.14 -0.40 0.00 0.00 0.00 0.00 46.02 43.53 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 -1.45 3.16 -0.52 2.61 -4.23 -1.26 -1.44 115.64 112.51 1o5p s THR 85 Ca 0.00 0.13 -0.28 0.00 -1.18 0.00 0.00 61.69 60.36 1o5p s THR 85 Cb 0.00 -3.31 0.01 0.00 1.34 0.00 0.00 72.50 70.55 1o5p s THR 85 CO 0.00 -0.26 1.41 -0.69 -0.54 0.00 0.00 174.62 174.54 1o5p s VAL 86 N 9.68 3.82 -0.26 2.29 1.01 -0.51 -4.63 120.40 131.80 1o5p s VAL 86 Ca 0.89 0.74 -0.28 0.00 0.00 0.00 0.00 61.98 63.33 1o5p s VAL 86 Cb -0.21 -4.38 -0.03 0.00 0.00 0.00 0.00 36.38 31.75 1o5p s VAL 86 CO 0.29 -1.06 1.98 -1.81 0.00 0.00 0.00 175.10 174.49 1o5p s ASP 87 N 4.30 5.75 0.00 3.32 1.11 -1.26 -1.73 116.67 128.16 1o5p s ASP 87 Ca 0.55 1.63 0.07 0.00 0.18 0.00 0.00 52.55 54.98 1o5p s ASP 87 Cb -0.11 -2.52 0.36 0.00 1.07 0.00 0.00 42.92 41.72 1o5p s ASP 87 CO 0.27 -1.77 1.06 0.00 1.18 0.00 0.00 175.17 175.91 1o5p n THR 89 N -1.25 0.00 -0.06 0.00 -2.24 -1.26 -4.07 114.28 105.40 1o5p n THR 89 Ca 0.04 -0.12 -0.11 0.00 -2.27 0.00 0.00 64.05 61.58 1o5p n THR 89 Cb 0.05 0.04 -0.04 0.00 -2.10 0.00 0.00 70.33 68.28 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 -0.51 0.62 -3.72 4.28 -2.24 -0.25 -5.06 114.28 107.40 1o5p n THR 90 Ca 0.19 -0.17 -0.22 0.00 -2.27 0.00 0.00 64.05 61.58 1o5p n THR 90 Cb 0.26 -1.53 0.01 0.00 -2.10 0.00 0.00 70.33 66.97 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 -3.40 0.80 -2.96 6.98 0.00 -1.20 -5.10 120.51 115.64 1o5p n ALA 91 Ca -0.22 -1.94 -0.38 0.00 0.00 0.00 0.00 53.44 50.90 1o5p n ALA 91 Cb 0.67 0.76 -0.12 0.00 0.00 0.00 0.00 19.45 20.76 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 -2.69 3.22 -0.26 0.00 0.00 -1.26 -4.71 121.76 116.05 1o5p s ALA 92 Ca 0.32 -1.41 -0.14 0.00 0.00 0.00 0.00 51.96 50.73 1o5p s ALA 92 Cb -0.03 -2.32 -0.04 0.00 0.00 0.00 0.00 23.12 20.74 1o5p s ALA 92 CO 0.20 -0.91 0.32 0.00 0.00 0.00 0.00 175.76 175.37 1o5p s GLN 94 N 1.84 3.48 -0.38 0.00 1.11 -0.63 -2.50 119.66 122.58 1o5p s GLN 94 Ca 0.13 -0.24 -0.12 0.00 0.01 0.00 0.00 55.36 55.14 1o5p s GLN 94 Cb -0.16 -3.09 0.02 0.00 -1.01 0.00 0.00 33.01 28.78 1o5p s GLN 94 CO 0.09 0.67 0.23 0.08 0.01 0.00 0.00 175.29 176.37 1o5p s VAL 95 N -1.31 4.76 0.00 1.09 1.01 0.10 -2.24 120.40 123.81 1o5p s VAL 95 Ca 0.27 -0.78 0.00 0.00 0.00 0.00 0.00 61.98 61.47 1o5p s VAL 95 Cb -0.13 -3.64 0.00 0.00 0.00 0.00 0.00 36.38 32.61 1o5p s VAL 95 CO 0.17 -0.24 0.00 0.61 0.00 0.00 0.00 175.10 175.65 1o5p n GLY 96 N 5.04 2.63 3.72 4.51 0.00 -1.08 0.24 105.19 120.26 1o5p n GLY 96 Ca -0.12 -1.19 -0.29 0.00 0.00 0.00 0.00 46.02 44.42 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 2.69 0.00 0.99 1.02 -1.24 -2.20 118.68 119.94 1o5p s LEU 97 Ca 0.00 -1.41 0.00 0.00 0.02 0.00 0.00 54.13 52.74 1o5p s LEU 97 Cb 0.00 -0.97 0.00 0.00 0.02 0.00 0.00 46.19 45.24 1o5p s LEU 97 CO 0.00 -0.68 0.00 -0.24 0.02 0.00 0.00 176.35 175.45 1o5p n SER 98 N -1.21 0.00 -0.17 2.29 2.88 -0.46 -4.13 113.62 112.83 1o5p n SER 98 Ca -0.09 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.45 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 0.86 -1.60 -3.46 5.75 -1.25 0.29 116.55 117.14 1o5p n ASP 99 Ca 0.00 -0.08 -0.15 0.00 -0.01 0.00 0.00 54.79 54.54 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 -0.05 2.12 0.00 -1.26 -4.62 120.51 118.40 1o5p n ALA 100 Ca 0.00 -3.59 -0.05 0.00 0.00 0.00 0.00 53.44 49.80 1o5p n ALA 100 Cb 0.00 -0.46 -0.08 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 -0.87 1.75 0.00 0.00 0.00 -1.26 -5.00 120.51 115.14 1o5p n ALA 101 Ca 0.38 -0.65 0.00 0.00 0.00 0.00 0.00 53.44 53.16 1o5p n ALA 101 Cb 0.89 0.04 0.00 0.00 0.00 0.00 0.00 19.45 20.38 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 2.40 0.85 2.65 0.00 0.00 -1.26 -5.14 105.19 104.68 1o5p n GLY 102 Ca -0.16 -0.07 -0.00 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 -1.00 -0.08 1.61 5.03 -1.26 -5.03 115.26 114.53 1o5p n ASN 103 Ca 0.00 -1.40 0.00 0.00 0.87 0.00 0.00 54.58 54.05 1o5p n ASN 103 Cb 0.00 1.59 0.00 0.00 -1.02 0.00 0.00 39.78 40.35 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 -0.56 2.01 3.00 7.41 0.00 -1.26 -3.88 105.19 111.91 1o5p n GLY 104 Ca 0.01 -0.71 -0.19 0.00 0.00 0.00 0.00 46.02 45.12 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 -1.43 -2.15 1.61 -0.02 -1.26 -4.91 135.00 126.85 1o5p n PRO 105 Ca 0.00 -0.42 -0.15 0.00 -2.02 0.00 0.00 63.50 60.91 1o5p n PRO 105 Cb 0.00 -1.34 0.07 0.00 -0.02 0.00 0.00 33.50 32.21 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 -0.48 0.33 -4.55 -0.52 -0.00 -1.26 -4.63 120.64 109.52 1o5p n GLU 106 Ca 0.03 -2.04 -0.27 0.00 -0.00 0.00 0.00 57.16 54.89 1o5p n GLU 106 Cb 0.38 -0.36 -0.11 0.00 -0.00 0.00 0.00 31.44 31.35 1o5p n GLU 106 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.13 177.33 1o5p s GLY 107 N -4.15 2.32 -0.20 -1.84 0.00 -1.26 -3.68 107.32 98.51 1o5p s GLY 107 Ca 0.46 -2.18 -0.09 0.00 0.00 0.00 0.00 44.72 42.91 1o5p s GLY 107 CO 0.30 -2.05 0.10 0.14 0.00 0.00 0.00 173.10 171.59 1o5p s VAL 108 N -2.65 5.15 -0.19 1.40 1.01 0.14 -4.72 120.40 120.54 1o5p s VAL 108 Ca 0.34 0.10 -0.29 0.00 0.00 0.00 0.00 61.98 62.12 1o5p s VAL 108 Cb 0.05 -3.34 -0.03 0.00 0.00 0.00 0.00 36.38 33.06 1o5p s VAL 108 CO 0.17 0.44 1.64 0.00 0.00 0.00 0.00 175.10 177.35 1o5p s ALA 109 N 0.42 3.33 0.44 5.51 0.00 -1.26 0.01 121.76 130.20 1o5p s ALA 109 Ca 0.06 0.57 0.05 0.00 0.00 0.00 0.00 51.96 52.65 1o5p s ALA 109 Cb -0.12 -3.83 0.01 0.00 0.00 0.00 0.00 23.12 19.18 1o5p s ALA 109 CO -0.01 -1.85 0.61 0.96 0.00 0.00 0.00 175.76 175.47 1o5p s ILE 110 N 5.04 3.24 0.06 0.00 -4.36 -1.04 -4.82 121.20 119.31 1o5p s ILE 110 Ca 0.72 -0.87 -0.04 0.00 -0.26 0.00 0.00 60.65 60.20 1o5p s ILE 110 Cb -0.27 -3.13 -0.02 0.00 1.25 0.00 0.00 42.46 40.29 1o5p s ILE 110 CO 0.29 -0.06 0.05 -0.55 0.24 0.00 0.00 174.94 174.90 1o5p s SER 111 N -4.32 0.33 -0.32 4.36 0.15 0.21 -4.65 113.70 109.46 1o5p s SER 111 Ca 0.53 -0.80 -0.01 0.00 0.70 0.00 0.00 55.95 56.36 1o5p s SER 111 Cb -0.10 0.23 0.10 0.00 -1.71 0.00 0.00 66.02 64.55 1o5p s SER 111 CO 0.34 -0.60 0.12 -0.36 1.20 0.00 0.00 173.24 173.94 1o5p s PHE 112 N -3.53 1.42 -2.00 3.44 0.40 -1.26 -2.96 117.98 113.50 1o5p s PHE 112 Ca 0.03 -1.62 0.11 0.00 -0.60 0.00 0.00 56.93 54.85 1o5p s PHE 112 Cb 0.05 -1.54 0.66 0.00 0.51 0.00 0.00 43.02 42.70 1o5p s PHE 112 CO -0.09 -0.86 1.10 0.27 0.70 0.00 0.00 175.22 176.34