#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 3.83 0.84 0.00 0.00 -1.26 -5.00 121.76 120.17 1o5p s ALA 2 Ca 0.00 -1.42 -0.12 0.00 0.00 0.00 0.00 51.96 50.42 1o5p s ALA 2 Cb 0.00 -1.45 0.10 0.00 0.00 0.00 0.00 23.12 21.77 1o5p s ALA 2 CO 0.00 0.16 1.19 -2.14 0.00 0.00 0.00 175.76 174.97 1o5p s PRO 3 N -3.96 1.45 0.11 0.00 0.02 -0.00 -4.53 135.00 128.09 1o5p s PRO 3 Ca 0.37 1.69 -0.12 0.00 0.02 0.00 0.00 61.00 62.96 1o5p s PRO 3 Cb -0.08 -1.76 0.01 0.00 0.02 0.00 0.00 34.50 32.69 1o5p s PRO 3 CO 0.27 -2.34 0.29 0.95 -0.33 0.00 0.00 177.00 175.84 1o5p s THR 4 N -2.31 0.11 -0.15 0.99 -4.23 1.09 -4.87 115.64 106.26 1o5p s THR 4 Ca 0.71 -0.96 -0.06 0.00 -1.18 0.00 0.00 61.69 60.21 1o5p s THR 4 Cb -0.27 -1.32 0.07 0.00 1.34 0.00 0.00 72.50 72.32 1o5p s THR 4 CO 0.53 -0.48 0.31 0.00 -0.54 0.00 0.00 174.62 174.44 1o5p s ALA 5 N -3.85 -0.76 -0.30 3.99 0.00 -1.26 0.27 121.76 119.85 1o5p s ALA 5 Ca 0.05 1.15 -0.01 0.00 0.00 0.00 0.00 51.96 53.15 1o5p s ALA 5 Cb 0.03 -1.03 0.06 0.00 0.00 0.00 0.00 23.12 22.18 1o5p s ALA 5 CO -0.10 -0.56 -0.01 -0.08 0.00 0.00 0.00 175.76 175.01 1o5p s THR 6 N 2.19 2.86 -0.08 0.00 -1.32 -0.28 -4.87 115.64 114.13 1o5p s THR 6 Ca -0.02 -1.48 0.02 0.00 -1.21 0.00 0.00 61.69 59.00 1o5p s THR 6 Cb -0.11 -2.68 -0.02 0.00 -1.51 0.00 0.00 72.50 68.18 1o5p s THR 6 CO -0.10 -0.13 -0.15 -0.69 -2.21 0.00 0.00 174.62 171.34 1o5p s VAL 7 N 1.22 2.99 -0.19 5.08 1.01 -1.26 -0.46 120.40 128.78 1o5p s VAL 7 Ca -0.05 -0.72 -0.30 0.00 0.00 0.00 0.00 61.98 60.91 1o5p s VAL 7 Cb -0.20 -2.20 0.15 0.00 0.00 0.00 0.00 36.38 34.13 1o5p s VAL 7 CO -0.02 0.56 1.10 -0.89 0.00 0.00 0.00 175.10 175.85 1o5p s THR 8 N -0.27 0.00 0.45 3.92 2.01 -0.11 -4.46 115.64 117.18 1o5p s THR 8 Ca 0.02 0.00 -0.21 0.00 0.31 0.00 0.00 61.69 61.81 1o5p s THR 8 Cb -0.13 -1.00 -0.10 0.00 0.01 0.00 0.00 72.50 71.28 1o5p s THR 8 CO 0.03 0.00 0.98 -2.16 -0.69 0.00 0.00 174.62 172.77 1o5p s PRO 9 N -1.15 4.10 0.08 4.92 0.05 -1.26 -0.37 135.00 141.36 1o5p s PRO 9 Ca 0.02 1.18 0.20 0.00 0.05 0.00 0.00 61.00 62.44 1o5p s PRO 9 Cb -0.01 -2.15 -0.14 0.00 0.05 0.00 0.00 34.50 32.25 1o5p s PRO 9 CO -0.01 -0.15 0.78 -1.13 0.05 0.00 0.00 177.00 176.54 1o5p n SER 10 N -0.77 0.61 -4.26 6.66 3.41 -1.26 -4.76 113.62 113.25 1o5p n SER 10 Ca 0.08 0.25 -0.15 0.00 -0.26 0.00 0.00 58.87 58.79 1o5p n SER 10 Cb 0.54 0.72 -0.10 0.00 -0.26 0.00 0.00 64.21 65.10 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 -5.33 1.89 -0.18 4.04 0.01 -1.26 0.50 113.70 113.37 1o5p s SER 11 Ca -0.04 -1.00 -0.01 0.00 1.31 0.00 0.00 55.95 56.22 1o5p s SER 11 Cb 0.10 -0.03 0.00 0.00 0.21 0.00 0.00 66.02 66.30 1o5p s SER 11 CO 0.83 -0.30 0.11 0.61 0.41 0.00 0.00 173.24 174.89 1o5p n GLY 12 N -0.17 0.64 0.13 3.44 0.00 -1.13 -4.91 105.19 103.19 1o5p n GLY 12 Ca -0.10 -0.62 -0.22 0.00 0.00 0.00 0.00 46.02 45.08 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 -0.87 2.32 -1.16 0.99 4.77 -1.26 -5.04 117.00 116.75 1o5p n LEU 13 Ca -0.01 0.28 0.00 0.00 -0.03 0.00 0.00 56.01 56.26 1o5p n LEU 13 Cb 0.51 -1.04 0.00 0.00 -2.33 0.00 0.00 43.42 40.56 1o5p n LEU 13 CO 0.07 0.62 -0.34 -0.24 -1.33 0.00 0.00 177.39 176.17 1o5p n SER 14 N -3.87 -6.42 -4.46 -1.43 2.88 -1.26 -3.80 113.62 95.25 1o5p n SER 14 Ca -0.34 1.11 -0.49 0.00 -1.33 0.00 0.00 58.87 57.83 1o5p n SER 14 Cb 0.90 -3.35 -0.07 0.00 -0.75 0.00 0.00 64.21 60.94 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 -1.52 2.14 0.00 -3.46 5.75 -1.26 -2.02 116.55 116.18 1o5p n ASP 15 Ca 0.00 0.35 0.00 0.00 -0.01 0.00 0.00 54.79 55.13 1o5p n ASP 15 Cb 0.15 -1.28 0.00 0.00 -1.03 0.00 0.00 41.12 38.96 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 6.49 1.39 0.55 6.12 0.00 -1.26 -5.05 105.19 113.42 1o5p n GLY 16 Ca 0.41 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.40 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 -0.56 0.00 -4.42 2.61 5.66 -0.86 -4.96 114.28 111.75 1o5p n THR 17 Ca 0.00 -0.28 -0.20 0.00 -3.05 0.00 0.00 64.05 60.52 1o5p n THR 17 Cb 0.00 -0.83 -0.14 0.00 -1.55 0.00 0.00 70.33 67.81 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 0.32 0.94 0.21 1.08 1.01 -1.26 -2.31 120.40 120.39 1o5p s VAL 18 Ca 0.08 -0.68 0.11 0.00 0.00 0.00 0.00 61.98 61.49 1o5p s VAL 18 Cb -0.01 -0.82 -0.04 0.00 0.00 0.00 0.00 36.38 35.51 1o5p s VAL 18 CO 0.05 0.14 -0.19 0.68 0.00 0.00 0.00 175.10 175.77 1o5p s VAL 19 N -0.51 2.59 -0.36 2.92 -7.23 0.14 -4.72 120.40 113.23 1o5p s VAL 19 Ca 0.03 -2.02 -0.08 0.00 -1.81 0.00 0.00 61.98 58.10 1o5p s VAL 19 Cb -0.06 -2.28 0.04 0.00 0.56 0.00 0.00 36.38 34.64 1o5p s VAL 19 CO 0.00 -0.18 0.15 -0.75 -0.31 0.00 0.00 175.10 174.01 1o5p s LYS 20 N -2.90 2.65 -0.12 4.82 2.20 0.50 -1.10 119.74 125.79 1o5p s LYS 20 Ca 0.24 -1.20 -0.06 0.00 -0.36 0.00 0.00 55.97 54.58 1o5p s LYS 20 Cb -0.07 -3.57 -0.04 0.00 -1.51 0.00 0.00 37.83 32.64 1o5p s LYS 20 CO 0.12 -0.72 0.11 0.54 -0.36 0.00 0.00 175.35 175.05 1o5p s VAL 21 N 1.44 5.26 0.12 4.02 0.11 -0.87 -0.94 120.40 129.54 1o5p s VAL 21 Ca -0.00 0.12 0.02 0.00 -2.93 0.00 0.00 61.98 59.18 1o5p s VAL 21 Cb -0.20 -3.29 -0.04 0.00 -1.53 0.00 0.00 36.38 31.32 1o5p s VAL 21 CO 0.04 0.60 -0.05 0.00 -3.33 0.00 0.00 175.10 172.36 1o5p s ALA 22 N -0.86 1.07 0.00 1.54 0.00 0.39 -1.40 121.76 122.50 1o5p s ALA 22 Ca 0.14 -1.41 0.02 0.00 0.00 0.00 0.00 51.96 50.70 1o5p s ALA 22 Cb -0.12 0.28 -0.01 0.00 0.00 0.00 0.00 23.12 23.27 1o5p s ALA 22 CO 0.03 -0.26 -0.06 0.20 0.00 0.00 0.00 175.76 175.67 1o5p s GLY 23 N -3.08 0.28 -0.07 0.00 0.00 0.30 -1.13 107.32 103.62 1o5p s GLY 23 Ca 0.15 -0.28 -0.03 0.00 0.00 0.00 0.00 44.72 44.57 1o5p s GLY 23 CO -0.02 -0.25 0.14 0.00 0.00 0.00 0.00 173.10 172.97 1o5p s ALA 24 N -0.24 -0.17 0.00 3.20 0.00 0.75 0.14 121.76 125.44 1o5p s ALA 24 Ca 0.01 0.58 0.00 0.00 0.00 0.00 0.00 51.96 52.55 1o5p s ALA 24 Cb -0.03 -0.61 0.00 0.00 0.00 0.00 0.00 23.12 22.48 1o5p s ALA 24 CO -0.00 -0.35 0.00 0.41 0.00 0.00 0.00 175.76 175.82 1o5p n GLY 25 N 4.76 1.07 3.95 0.00 0.00 -1.05 0.35 105.19 114.27 1o5p n GLY 25 Ca -0.16 -0.48 -0.24 0.00 0.00 0.00 0.00 46.02 45.14 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 2.99 -0.87 0.99 1.43 -0.50 -0.82 118.68 121.90 1o5p s LEU 26 Ca 0.00 0.18 -0.30 0.00 -1.03 0.00 0.00 54.13 52.98 1o5p s LEU 26 Cb 0.00 -2.84 -0.18 0.00 0.03 0.00 0.00 46.19 43.19 1o5p s LEU 26 CO 0.00 -1.52 2.62 0.00 0.23 0.00 0.00 176.35 177.68 1o5p n GLN 27 N -2.75 0.25 -1.24 1.70 3.00 -1.26 -4.02 117.38 113.06 1o5p n GLN 27 Ca 0.09 0.00 -0.20 0.00 -0.01 0.00 0.00 57.00 56.88 1o5p n GLN 27 Cb 0.60 -1.97 -0.11 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 11.74 0.36 0.00 -1.58 0.00 -1.25 -1.25 120.51 128.53 1o5p n ALA 28 Ca 0.59 -2.18 0.00 0.00 0.00 0.00 0.00 53.44 51.85 1o5p n ALA 28 Cb 0.15 -3.09 0.00 0.00 0.00 0.00 0.00 19.45 16.52 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 5.63 0.32 2.63 0.00 0.00 1.03 -4.81 105.19 109.98 1o5p n GLY 29 Ca 0.38 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.15 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 -0.40 -0.14 -0.38 2.61 -4.23 -0.38 -4.88 115.64 107.84 1o5p s THR 30 Ca 0.00 -0.29 -0.36 0.00 -1.18 0.00 0.00 61.69 59.86 1o5p s THR 30 Cb 0.00 -0.69 -0.12 0.00 1.34 0.00 0.00 72.50 73.02 1o5p s THR 30 CO 0.00 -0.37 2.19 0.00 -0.54 0.00 0.00 174.62 175.90 1o5p n ALA 31 N 5.28 0.96 -2.92 3.99 0.00 -1.26 -2.74 120.51 123.82 1o5p n ALA 31 Ca -0.06 -0.04 -0.25 0.00 0.00 0.00 0.00 53.44 53.09 1o5p n ALA 31 Cb 0.48 -2.49 -0.03 0.00 0.00 0.00 0.00 19.45 17.40 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 7.21 3.40 0.31 0.00 1.51 0.16 -4.47 117.35 125.46 1o5p s TYR 32 Ca 1.11 0.06 0.06 0.00 -1.01 0.00 0.00 57.07 57.29 1o5p s TYR 32 Cb -0.94 -1.61 -0.02 0.00 -0.11 0.00 0.00 41.96 39.29 1o5p s TYR 32 CO 0.51 0.50 0.44 0.34 -1.11 0.00 0.00 175.55 176.23 1o5p s ASP 33 N -3.38 6.07 -0.16 2.29 -1.08 -0.58 -1.68 116.67 118.16 1o5p s ASP 33 Ca 0.34 -0.11 -0.05 0.00 -0.52 0.00 0.00 52.55 52.21 1o5p s ASP 33 Cb -0.10 -1.41 0.08 0.00 -1.46 0.00 0.00 42.92 40.02 1o5p s ASP 33 CO 0.28 -0.33 0.29 0.54 0.52 0.00 0.00 175.17 176.47 1o5p s VAL 34 N -2.12 -0.45 0.07 1.11 0.11 -0.76 -0.99 120.40 117.37 1o5p s VAL 34 Ca 0.42 0.19 -0.14 0.00 -2.93 0.00 0.00 61.98 59.51 1o5p s VAL 34 Cb -0.09 -0.54 0.05 0.00 -1.53 0.00 0.00 36.38 34.27 1o5p s VAL 34 CO 0.31 0.05 0.67 0.61 -3.33 0.00 0.00 175.10 173.40 1o5p n GLY 35 N 5.35 0.72 3.43 6.54 0.00 -0.93 -0.15 105.19 120.15 1o5p n GLY 35 Ca -0.06 -1.03 -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 -2.02 2.95 0.06 1.61 -2.07 -1.26 -2.57 119.66 116.36 1o5p s GLN 36 Ca 0.15 -1.10 0.05 0.00 -1.82 0.00 0.00 55.36 52.64 1o5p s GLN 36 Cb -0.01 -3.99 -0.03 0.00 -1.09 0.00 0.00 33.01 27.89 1o5p s GLN 36 CO 0.02 -0.81 -0.14 0.00 -1.32 0.00 0.00 175.29 173.04 1o5p s ALA 38 N -1.10 2.03 -0.35 0.00 0.00 -0.64 -1.72 121.76 119.99 1o5p s ALA 38 Ca -0.00 -1.01 -0.17 0.00 0.00 0.00 0.00 51.96 50.78 1o5p s ALA 38 Cb -0.09 -0.58 -0.01 0.00 0.00 0.00 0.00 23.12 22.44 1o5p s ALA 38 CO 0.02 0.44 0.43 -1.58 0.00 0.00 0.00 175.76 175.07 1o5p s TRP 39 N -0.34 3.19 -0.93 0.00 0.51 -1.26 -1.60 118.94 118.51 1o5p s TRP 39 Ca 0.03 0.03 0.16 0.00 -2.12 0.00 0.00 56.10 54.20 1o5p s TRP 39 Cb -0.11 -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 1.69 -1.53 4.03 0.24 -0.89 -4.75 118.33 122.46 1o5p n VAL 40 Ca -0.07 -1.28 0.00 0.00 -2.04 0.00 0.00 64.34 60.95 1o5p n VAL 40 Cb 0.49 0.16 0.00 0.00 -1.47 0.00 0.00 33.84 33.02 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 0.69 0.00 -4.55 -1.34 8.00 -1.26 -4.95 116.55 113.13 1o5p n ASP 41 Ca 0.21 0.00 -0.38 0.00 0.71 0.00 0.00 54.79 55.33 1o5p n ASP 41 Cb 0.77 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.84 1o5p n ASP 41 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1o5p s THR 42 N -2.46 3.43 0.00 -3.53 -1.32 -1.26 -2.82 115.64 107.68 1o5p s THR 42 Ca 0.00 0.17 0.00 0.00 -1.21 0.00 0.00 61.69 60.65 1o5p s THR 42 Cb 0.00 -4.13 0.00 0.00 -1.51 0.00 0.00 72.50 66.86 1o5p s THR 42 CO 0.00 -1.09 0.00 0.61 -2.21 0.00 0.00 174.62 171.93 1o5p n GLY 43 N 5.76 0.68 3.12 6.08 0.00 -1.26 -5.04 105.19 114.52 1o5p n GLY 43 Ca 0.19 -0.73 -0.34 0.00 0.00 0.00 0.00 46.02 45.14 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 2.79 -0.32 1.61 1.01 -1.13 -4.97 120.40 117.39 1o5p s VAL 44 Ca 0.00 -1.73 0.02 0.00 0.00 0.00 0.00 61.98 60.27 1o5p s VAL 44 Cb 0.00 -2.75 0.08 0.00 0.00 0.00 0.00 36.38 33.71 1o5p s VAL 44 CO 0.00 -0.30 0.03 -0.22 0.00 0.00 0.00 175.10 174.61 1o5p s LEU 45 N 1.14 4.35 -0.42 3.92 2.96 -1.26 -2.09 118.68 127.28 1o5p s LEU 45 Ca -0.00 -1.79 -0.17 0.00 -0.22 0.00 0.00 54.13 51.95 1o5p s LEU 45 Cb -0.20 -1.66 0.02 0.00 0.50 0.00 0.00 46.19 44.85 1o5p s LEU 45 CO -0.04 -0.34 0.40 0.00 -1.32 0.00 0.00 176.35 175.06 1o5p s ALA 46 N 1.05 3.45 0.31 5.97 0.00 -0.63 -3.40 121.76 128.51 1o5p s ALA 46 Ca 0.02 -1.61 0.08 0.00 0.00 0.00 0.00 51.96 50.45 1o5p s ALA 46 Cb -0.20 -3.02 -0.03 0.00 0.00 0.00 0.00 23.12 19.87 1o5p s ALA 46 CO -0.05 -1.57 0.23 0.00 0.00 0.00 0.00 175.76 174.36 1o5p s ASN 48 N -3.91 4.49 0.00 0.00 2.47 -0.92 -0.89 114.94 116.18 1o5p s ASN 48 Ca 0.38 -0.11 0.00 0.00 0.42 0.00 0.00 52.86 53.55 1o5p s ASN 48 Cb -0.06 -1.29 0.00 0.00 -1.45 0.00 0.00 41.25 38.45 1o5p s ASN 48 CO 0.25 0.30 0.53 -0.81 -3.72 0.00 0.00 177.10 173.65 1o5p n PRO 49 N 2.65 0.68 -0.04 0.43 -0.04 -1.26 -3.21 135.00 134.21 1o5p n PRO 49 Ca -0.18 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.33 1o5p n PRO 49 Cb 0.53 -1.24 0.06 0.00 -0.04 0.00 0.00 33.50 32.81 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 0.44 2.38 -1.90 0.55 0.00 -1.26 -4.46 120.51 116.26 1o5p n ALA 50 Ca 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 53.44 52.70 1o5p n ALA 50 Cb 0.27 -0.31 0.00 0.00 0.00 0.00 0.00 19.45 19.40 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 0.44 0.00 -4.56 0.00 5.75 -1.20 -2.55 116.55 114.43 1o5p n ASP 51 Ca 0.06 -1.83 -0.41 0.00 -0.01 0.00 0.00 54.79 52.60 1o5p n ASP 51 Cb 0.27 -0.17 -0.03 0.00 -1.03 0.00 0.00 41.12 40.17 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 0.00 2.47 0.00 2.11 0.40 -1.25 -3.08 117.98 118.63 1o5p s PHE 52 Ca 0.00 -0.67 0.00 0.00 -0.60 0.00 0.00 56.93 55.66 1o5p s PHE 52 Cb 0.00 -4.68 0.00 0.00 0.51 0.00 0.00 43.02 38.85 1o5p s PHE 52 CO 0.00 -1.97 0.00 0.43 0.70 0.00 0.00 175.22 174.38 1o5p n SER 53 N 9.02 1.45 0.00 1.36 7.64 0.78 -4.94 113.62 128.93 1o5p n SER 53 Ca 0.27 -0.89 0.00 0.00 1.01 0.00 0.00 58.87 59.26 1o5p n SER 53 Cb 0.51 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.71 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 -1.38 0.00 -3.78 6.43 2.88 -1.26 -1.83 113.62 114.67 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 -0.07 0.00 -0.75 0.00 0.00 64.21 63.39 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 -0.49 0.10 -0.04 2.46 0.11 -0.68 -4.95 120.40 116.92 1o5p s VAL 55 Ca 0.00 -0.86 -0.07 0.00 -2.93 0.00 0.00 61.98 58.12 1o5p s VAL 55 Cb 0.00 -1.09 -0.04 0.00 -1.53 0.00 0.00 36.38 33.71 1o5p s VAL 55 CO 0.00 -0.47 0.23 -0.89 -3.33 0.00 0.00 175.10 170.63 1o5p s THR 56 N -3.14 5.36 -0.34 5.04 2.01 -1.26 0.36 115.64 123.67 1o5p s THR 56 Ca -0.01 0.22 -0.28 0.00 0.31 0.00 0.00 61.69 61.93 1o5p s THR 56 Cb 0.01 -3.52 -0.03 0.00 0.01 0.00 0.00 72.50 68.97 1o5p s THR 56 CO -0.07 0.48 1.97 0.00 -0.69 0.00 0.00 174.62 176.31 1o5p s ALA 57 N -1.18 2.66 0.00 7.40 0.00 -1.11 -4.70 121.76 124.83 1o5p s ALA 57 Ca 0.23 0.30 0.00 0.00 0.00 0.00 0.00 51.96 52.48 1o5p s ALA 57 Cb -0.13 -4.09 0.00 0.00 0.00 0.00 0.00 23.12 18.90 1o5p s ALA 57 CO 0.12 -2.95 0.00 -3.47 0.00 0.00 0.00 175.76 169.46 1o5p n ASP 58 N 11.38 0.00 -0.09 0.00 -0.08 -1.26 0.34 116.55 126.83 1o5p n ASP 58 Ca 0.26 0.00 -0.06 0.00 -1.51 0.00 0.00 54.79 53.47 1o5p n ASP 58 Cb 0.47 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.93 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 0.04 0.00 -1.67 0.00 -1.92 -3.08 119.26 110.62 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 0.47 -0.06 0.00 0.00 0.00 0.00 17.79 18.19 1o5p h ALA 59 CO 0.00 -0.58 -2.30 -1.71 0.00 0.00 0.00 179.25 174.66 1o5p n ASN 60 N -5.37 1.05 0.00 0.00 2.85 -1.26 -4.53 115.26 108.01 1o5p n ASN 60 Ca 0.01 -0.05 0.00 0.00 -0.11 0.00 0.00 54.58 54.44 1o5p n ASN 60 Cb 0.28 0.48 0.00 0.00 1.24 0.00 0.00 39.78 41.78 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 2.04 0.78 3.76 8.20 0.00 -1.17 -1.41 105.19 117.40 1o5p n GLY 61 Ca -0.34 -0.77 -0.36 0.00 0.00 0.00 0.00 46.02 44.55 1o5p n GLY 61 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1o5p s SER 62 N -1.55 6.34 -0.19 1.61 1.04 -1.25 -2.47 113.70 117.23 1o5p s SER 62 Ca 0.00 0.39 -0.04 0.00 0.48 0.00 0.00 55.95 56.78 1o5p s SER 62 Cb 0.00 -2.12 0.07 0.00 0.10 0.00 0.00 66.02 64.06 1o5p s SER 62 CO 0.00 0.21 0.08 0.00 0.98 0.00 0.00 173.24 174.51 1o5p s ALA 63 N 0.06 0.60 -0.13 5.32 0.00 0.12 -4.64 121.76 123.09 1o5p s ALA 63 Ca 0.13 -0.51 0.00 0.00 0.00 0.00 0.00 51.96 51.57 1o5p s ALA 63 Cb -0.12 -1.12 0.02 0.00 0.00 0.00 0.00 23.12 21.90 1o5p s ALA 63 CO 0.02 -1.24 -0.11 -1.12 0.00 0.00 0.00 175.76 173.31 1o5p s SER 64 N 2.06 2.41 -0.06 0.00 0.01 -1.26 0.11 113.70 116.97 1o5p s SER 64 Ca 0.02 -0.39 -0.08 0.00 1.31 0.00 0.00 55.95 56.81 1o5p s SER 64 Cb -0.16 -1.00 0.02 0.00 0.21 0.00 0.00 66.02 65.08 1o5p s SER 64 CO -0.12 -0.08 0.21 0.28 0.41 0.00 0.00 173.24 173.93 1o5p s THR 65 N 1.57 0.02 -0.17 1.44 -1.32 -0.49 -4.99 115.64 111.70 1o5p s THR 65 Ca 0.04 -0.17 -0.11 0.00 -1.21 0.00 0.00 61.69 60.24 1o5p s THR 65 Cb -0.13 -0.36 -0.05 0.00 -1.51 0.00 0.00 72.50 70.46 1o5p s THR 65 CO -0.09 -0.09 0.18 -0.94 -2.21 0.00 0.00 174.62 171.47 1o5p s SER 66 N -0.29 6.31 0.24 8.08 1.04 -1.26 -2.05 113.70 125.76 1o5p s SER 66 Ca -0.04 0.36 0.01 0.00 0.48 0.00 0.00 55.95 56.76 1o5p s SER 66 Cb -0.03 -2.12 -0.05 0.00 0.10 0.00 0.00 66.02 63.93 1o5p s SER 66 CO 0.01 0.19 0.09 -0.76 0.98 0.00 0.00 173.24 173.76 1o5p s LEU 67 N 0.16 1.59 -0.06 2.42 1.02 -0.26 -4.92 118.68 118.63 1o5p s LEU 67 Ca 0.12 -1.36 -0.13 0.00 0.02 0.00 0.00 54.13 52.77 1o5p s LEU 67 Cb -0.12 0.09 -0.05 0.00 0.02 0.00 0.00 46.19 46.13 1o5p s LEU 67 CO 0.01 -0.74 0.33 0.28 0.02 0.00 0.00 176.35 176.25 1o5p s THR 68 N -3.83 5.20 -0.07 5.49 -1.32 -1.06 0.27 115.64 120.32 1o5p s THR 68 Ca 0.37 0.65 -0.11 0.00 -1.21 0.00 0.00 61.69 61.38 1o5p s THR 68 Cb 0.08 -3.63 0.02 0.00 -1.51 0.00 0.00 72.50 67.46 1o5p s THR 68 CO 0.12 0.54 0.28 0.68 -2.21 0.00 0.00 174.62 174.04 1o5p s VAL 69 N -0.71 0.02 0.17 5.08 -7.23 -0.98 -3.97 120.40 112.80 1o5p s VAL 69 Ca 0.21 -0.19 -0.02 0.00 -1.81 0.00 0.00 61.98 60.17 1o5p s VAL 69 Cb -0.15 -0.47 0.01 0.00 0.56 0.00 0.00 36.38 36.33 1o5p s VAL 69 CO 0.09 -0.10 0.25 -2.11 -0.31 0.00 0.00 175.10 172.92 1o5p n ARG 70 N 2.35 0.36 0.00 4.82 1.85 -1.26 -4.23 116.66 120.55 1o5p n ARG 70 Ca -0.16 -1.32 0.00 0.00 -1.00 0.00 0.00 57.85 55.37 1o5p n ARG 70 Cb 0.57 1.31 0.00 0.00 -1.05 0.00 0.00 32.46 33.29 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 -0.28 0.00 -1.70 2.89 1.85 -1.26 -4.55 116.66 113.61 1o5p n ARG 71 Ca -0.00 0.00 -0.41 0.00 -1.00 0.00 0.00 57.85 56.43 1o5p n ARG 71 Cb 0.28 0.00 0.01 0.00 -1.05 0.00 0.00 32.46 31.70 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 2.61 -3.64 2.89 7.64 -1.26 -1.89 113.62 119.98 1o5p n SER 72 Ca 0.00 1.13 -0.10 0.00 1.01 0.00 0.00 58.87 60.91 1o5p n SER 72 Cb 0.00 -1.50 -0.07 0.00 -1.01 0.00 0.00 64.21 61.63 1o5p n SER 72 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 1o5p s PHE 73 N -1.17 -0.72 -0.27 1.43 -0.71 -0.63 -4.81 117.98 111.09 1o5p s PHE 73 Ca 0.59 1.66 -0.31 0.00 -1.04 0.00 0.00 56.93 57.83 1o5p s PHE 73 Cb -0.52 0.37 -0.14 0.00 -1.21 0.00 0.00 43.02 41.52 1o5p s PHE 73 CO 0.59 -0.35 1.01 0.39 -1.34 0.00 0.00 175.22 175.52 1o5p n GLU 74 N 2.93 0.00 -1.35 1.99 -0.58 -1.26 -1.47 120.64 120.90 1o5p n GLU 74 Ca -0.15 0.00 -0.25 0.00 -0.42 0.00 0.00 57.16 56.34 1o5p n GLU 74 Cb 0.56 -1.02 -0.02 0.00 -0.57 0.00 0.00 31.44 30.39 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 2.36 4.42 3.29 0.62 0.00 -0.30 -2.65 105.19 112.93 1o5p n GLY 75 Ca 0.19 -1.74 -0.60 0.00 0.00 0.00 0.00 46.02 43.87 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 0.58 1.26 -2.96 1.61 3.01 -0.07 -2.19 117.46 118.70 1o5p n PHE 76 Ca 0.45 0.83 -0.41 0.00 1.01 0.00 0.00 57.45 59.34 1o5p n PHE 76 Cb 0.55 -2.24 -0.04 0.00 -0.01 0.00 0.00 39.48 37.74 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 5.30 4.24 -0.27 4.37 2.96 -0.72 -1.94 118.68 132.63 1o5p s LEU 77 Ca 1.15 1.17 -0.02 0.00 -0.22 0.00 0.00 54.13 56.21 1o5p s LEU 77 Cb -1.47 -3.16 -0.02 0.00 0.50 0.00 0.00 46.19 42.03 1o5p s LEU 77 CO 0.68 -0.27 1.34 0.33 -1.32 0.00 0.00 176.35 177.11 1o5p n PHE 78 N 4.57 0.39 -1.98 5.38 7.35 -1.22 -2.88 117.46 129.08 1o5p n PHE 78 Ca 0.02 -0.89 0.00 0.00 -0.76 0.00 0.00 57.45 55.82 1o5p n PHE 78 Cb 0.50 -0.91 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 -3.47 -0.76 0.00 0.00 176.76 172.53 1o5p n ASP 79 N 4.43 0.00 0.00 -2.13 -0.08 -1.26 -4.98 116.55 112.53 1o5p n ASP 79 Ca 0.14 -0.98 0.00 0.00 -1.51 0.00 0.00 54.79 52.44 1o5p n ASP 79 Cb 0.07 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.53 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 2.81 3.93 0.27 0.00 -1.14 -4.99 105.19 106.08 1o5p n GLY 80 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.08 5.10 -0.15 2.61 -4.23 -1.26 -4.97 115.64 111.67 1o5p s THR 81 Ca 0.00 -0.35 -0.05 0.00 -1.18 0.00 0.00 61.69 60.10 1o5p s THR 81 Cb 0.00 -3.83 -0.04 0.00 1.34 0.00 0.00 72.50 69.97 1o5p s THR 81 CO 0.00 -0.49 0.04 0.00 -0.54 0.00 0.00 174.62 173.62 1o5p s ARG 82 N -4.11 3.63 0.36 3.99 1.70 -1.26 -1.75 118.95 121.51 1o5p s ARG 82 Ca 0.41 -0.37 0.24 0.00 -0.47 0.00 0.00 55.73 55.53 1o5p s ARG 82 Cb -0.10 -3.05 0.38 0.00 -0.57 0.00 0.00 34.95 31.61 1o5p s ARG 82 CO 0.35 0.43 1.57 2.35 -1.08 0.00 0.00 175.30 178.91 1o5p h TRP 83 N 6.14 0.00 0.00 5.89 7.01 -1.77 -3.46 115.95 129.77 1o5p h TRP 83 Ca -0.41 0.00 0.00 0.00 2.11 0.00 0.00 58.89 60.59 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 0.59 0.00 0.00 0.41 -2.79 0.00 0.00 178.44 176.65 1o5p n GLY 84 N 1.15 1.42 3.58 2.65 0.00 -1.26 -4.90 105.19 107.84 1o5p n GLY 84 Ca 0.04 -2.17 -0.41 0.00 0.00 0.00 0.00 46.02 43.48 1o5p n GLY 84 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1o5p s THR 85 N -1.52 3.21 -0.55 2.61 -4.23 -1.26 -1.15 115.64 112.75 1o5p s THR 85 Ca 0.00 0.18 -0.28 0.00 -1.18 0.00 0.00 61.69 60.41 1o5p s THR 85 Cb 0.00 -3.36 0.02 0.00 1.34 0.00 0.00 72.50 70.50 1o5p s THR 85 CO 0.00 -0.28 1.37 -0.69 -0.54 0.00 0.00 174.62 174.48 1o5p s VAL 86 N 8.95 3.85 -0.27 2.29 1.01 -0.54 -4.68 120.40 131.01 1o5p s VAL 86 Ca 0.88 0.76 -0.28 0.00 0.00 0.00 0.00 61.98 63.34 1o5p s VAL 86 Cb -0.23 -4.47 -0.03 0.00 0.00 0.00 0.00 36.38 31.66 1o5p s VAL 86 CO 0.30 -1.15 1.86 -1.81 0.00 0.00 0.00 175.10 174.30 1o5p s ASP 87 N 4.04 5.91 0.00 3.32 1.11 -1.26 -1.61 116.67 128.18 1o5p s ASP 87 Ca 0.51 1.53 0.04 0.00 0.18 0.00 0.00 52.55 54.81 1o5p s ASP 87 Cb -0.10 -2.52 0.21 0.00 1.07 0.00 0.00 42.92 41.57 1o5p s ASP 87 CO 0.26 -1.66 0.98 0.00 1.18 0.00 0.00 175.17 175.93 1o5p n THR 89 N -1.30 0.00 -0.06 0.00 -2.24 -1.26 -4.10 114.28 105.31 1o5p n THR 89 Ca 0.02 -0.13 -0.13 0.00 -2.27 0.00 0.00 64.05 61.54 1o5p n THR 89 Cb 0.03 0.09 -0.04 0.00 -2.10 0.00 0.00 70.33 68.31 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 -0.43 0.65 -3.67 4.28 -2.24 0.02 -5.06 114.28 107.84 1o5p n THR 90 Ca 0.19 -0.17 -0.25 0.00 -2.27 0.00 0.00 64.05 61.55 1o5p n THR 90 Cb 0.27 -1.63 0.01 0.00 -2.10 0.00 0.00 70.33 66.88 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 -2.22 4.54 -0.31 6.98 0.00 -1.18 -5.09 121.76 124.47 1o5p s ALA 91 Ca -0.17 -1.46 -0.11 0.00 0.00 0.00 0.00 51.96 50.23 1o5p s ALA 91 Cb 0.06 -0.92 -0.02 0.00 0.00 0.00 0.00 23.12 22.25 1o5p s ALA 91 CO 0.21 -0.58 0.18 0.00 0.00 0.00 0.00 175.76 175.57 1o5p s ALA 92 N -2.76 3.37 -0.22 0.00 0.00 -1.26 -4.70 121.76 116.18 1o5p s ALA 92 Ca 0.41 -1.34 -0.14 0.00 0.00 0.00 0.00 51.96 50.89 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 0.26 -0.87 0.30 0.00 0.00 0.00 0.00 175.76 175.45 1o5p s GLN 94 N 1.28 2.95 -0.37 0.00 -0.21 -0.70 -2.51 119.66 120.10 1o5p s GLN 94 Ca 0.14 -0.60 -0.11 0.00 0.02 0.00 0.00 55.36 54.81 1o5p s GLN 94 Cb -0.14 -2.78 0.03 0.00 1.00 0.00 0.00 33.01 31.11 1o5p s GLN 94 CO 0.07 0.60 0.20 0.08 -2.12 0.00 0.00 175.29 174.12 1o5p s VAL 95 N -1.29 4.57 0.05 1.09 1.01 0.13 -2.16 120.40 123.79 1o5p s VAL 95 Ca 0.26 -0.84 -0.00 0.00 0.00 0.00 0.00 61.98 61.40 1o5p s VAL 95 Cb -0.12 -3.54 0.00 0.00 0.00 0.00 0.00 36.38 32.72 1o5p s VAL 95 CO 0.18 -0.22 0.07 0.61 0.00 0.00 0.00 175.10 175.74 1o5p n GLY 96 N 4.99 3.02 3.68 4.51 0.00 -1.06 0.25 105.19 120.59 1o5p n GLY 96 Ca -0.12 -1.42 -0.31 0.00 0.00 0.00 0.00 46.02 44.18 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 -3.90 0.99 4.32 -1.25 -2.18 117.00 114.98 1o5p n LEU 97 Ca 0.00 -3.08 -0.10 0.00 -0.02 0.00 0.00 56.01 52.81 1o5p n LEU 97 Cb 0.08 0.23 -0.00 0.00 -1.62 0.00 0.00 43.42 42.10 1o5p n LEU 97 CO 0.04 -0.49 0.39 -0.94 -1.22 0.00 0.00 177.39 175.17 1o5p s SER 98 N -3.92 0.23 -0.01 -1.43 1.04 -0.16 -4.30 113.70 105.14 1o5p s SER 98 Ca 0.10 -1.17 0.14 0.00 0.48 0.00 0.00 55.95 55.49 1o5p s SER 98 Cb -0.01 0.77 -0.19 0.00 0.10 0.00 0.00 66.02 66.69 1o5p s SER 98 CO 0.06 -1.51 0.41 0.47 0.98 0.00 0.00 173.24 173.65 1o5p n ASP 99 N -1.24 1.37 -0.76 7.02 9.92 -1.15 -1.53 116.55 130.19 1o5p n ASP 99 Ca -0.05 -0.31 -0.04 0.00 -0.53 0.00 0.00 54.79 53.87 1o5p n ASP 99 Cb 0.60 1.40 0.01 0.00 -0.64 0.00 0.00 41.12 42.49 1o5p n ASP 99 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1o5p n ALA 100 N -1.74 -0.17 0.00 2.24 0.00 -1.26 -4.66 120.51 114.93 1o5p n ALA 100 Ca -0.01 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1o5p n ALA 100 Cb 0.31 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.66 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 -2.21 1.24 0.00 0.00 0.00 -1.26 -5.04 120.51 113.23 1o5p n ALA 101 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1o5p n ALA 101 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 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 0.67 0.00 3.50 0.00 0.00 -1.26 -5.15 105.19 102.95 1o5p n GLY 102 Ca 0.00 -0.01 -0.12 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.95 -1.77 -0.63 1.61 5.03 -1.26 -5.03 115.26 112.26 1o5p n ASN 103 Ca 0.00 -2.74 0.00 0.00 0.87 0.00 0.00 54.58 52.71 1o5p n ASN 103 Cb 0.00 3.10 0.00 0.00 -1.02 0.00 0.00 39.78 41.86 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 -0.55 1.21 1.68 7.41 0.00 -1.26 -2.92 105.19 110.75 1o5p n GLY 104 Ca -0.04 -0.80 -0.09 0.00 0.00 0.00 0.00 46.02 45.10 1o5p n GLY 104 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1o5p n PRO 105 N 0.00 -0.82 -2.59 1.61 -0.02 -1.26 -4.94 135.00 126.99 1o5p n PRO 105 Ca 0.00 -0.41 -0.21 0.00 -2.02 0.00 0.00 63.50 60.85 1o5p n PRO 105 Cb 0.00 -0.82 0.10 0.00 -0.02 0.00 0.00 33.50 32.76 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 -1.23 0.10 -4.51 -0.52 0.28 -1.26 -4.70 120.64 108.80 1o5p n GLU 106 Ca 0.04 -2.70 -0.25 0.00 -0.16 0.00 0.00 57.16 54.09 1o5p n GLU 106 Cb 0.17 -0.53 -0.10 0.00 1.43 0.00 0.00 31.44 32.41 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 -4.86 2.05 -0.21 -1.84 0.00 -1.26 -3.75 107.32 97.44 1o5p s GLY 107 Ca 0.62 -1.99 -0.09 0.00 0.00 0.00 0.00 44.72 43.25 1o5p s GLY 107 CO 0.41 -2.00 0.12 0.14 0.00 0.00 0.00 173.10 171.76 1o5p s VAL 108 N -2.56 5.20 -0.08 1.40 1.01 0.14 -4.75 120.40 120.76 1o5p s VAL 108 Ca 0.31 0.12 -0.30 0.00 0.00 0.00 0.00 61.98 62.11 1o5p s VAL 108 Cb -0.01 -3.38 -0.03 0.00 0.00 0.00 0.00 36.38 32.96 1o5p s VAL 108 CO 0.16 0.42 1.20 0.00 0.00 0.00 0.00 175.10 176.88 1o5p s ALA 109 N 0.58 3.53 0.42 5.51 0.00 -1.26 0.22 121.76 130.76 1o5p s ALA 109 Ca 0.06 0.57 0.05 0.00 0.00 0.00 0.00 51.96 52.64 1o5p s ALA 109 Cb -0.12 -3.54 0.01 0.00 0.00 0.00 0.00 23.12 19.47 1o5p s ALA 109 CO 0.00 -0.85 0.59 0.96 0.00 0.00 0.00 175.76 176.47 1o5p s ILE 110 N 2.50 3.40 0.07 0.00 -4.36 -1.05 -4.83 121.20 116.93 1o5p s ILE 110 Ca 0.55 -0.86 0.01 0.00 -0.26 0.00 0.00 60.65 60.09 1o5p s ILE 110 Cb -0.24 -3.19 -0.03 0.00 1.25 0.00 0.00 42.46 40.25 1o5p s ILE 110 CO 0.20 -0.09 -0.06 -0.44 0.24 0.00 0.00 174.94 174.79 1o5p s SER 111 N -4.29 0.86 -0.11 4.36 0.01 0.18 -4.73 113.70 109.97 1o5p s SER 111 Ca 0.52 -0.83 0.03 0.00 1.31 0.00 0.00 55.95 56.97 1o5p s SER 111 Cb -0.10 0.10 0.01 0.00 0.21 0.00 0.00 66.02 66.24 1o5p s SER 111 CO 0.34 -0.40 -0.20 -0.36 0.41 0.00 0.00 173.24 173.03 1o5p s PHE 112 N -2.86 2.35 -0.78 2.43 0.40 -1.26 -2.83 117.98 115.42 1o5p s PHE 112 Ca 0.02 -1.08 0.00 0.00 -0.60 0.00 0.00 56.93 55.27 1o5p s PHE 112 Cb 0.00 -1.62 0.00 0.00 0.51 0.00 0.00 43.02 41.92 1o5p s PHE 112 CO -0.04 -0.50 0.19 0.27 0.70 0.00 0.00 175.22 175.85