#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 3.69 0.84 0.00 0.00 -1.26 -4.96 121.76 120.07 1o5p s ALA 2 Ca 0.00 -1.86 -0.12 0.00 0.00 0.00 0.00 51.96 49.97 1o5p s ALA 2 Cb 0.00 -0.32 0.10 0.00 0.00 0.00 0.00 23.12 22.90 1o5p s ALA 2 CO 0.00 -0.18 1.19 -2.14 0.00 0.00 0.00 175.76 174.63 1o5p s PRO 3 N -3.92 1.42 0.00 0.00 0.02 -0.52 -4.28 135.00 127.72 1o5p s PRO 3 Ca 0.36 1.71 0.00 0.00 0.02 0.00 0.00 61.00 63.09 1o5p s PRO 3 Cb 0.04 -1.76 0.00 0.00 0.02 0.00 0.00 34.50 32.80 1o5p s PRO 3 CO 0.20 -2.37 0.00 -2.37 -0.33 0.00 0.00 177.00 172.13 1o5p n THR 4 N -3.60 0.00 -3.64 0.99 5.66 0.40 -4.87 114.28 109.21 1o5p n THR 4 Ca 0.13 0.00 -0.06 0.00 -3.05 0.00 0.00 64.05 61.07 1o5p n THR 4 Cb 0.51 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 69.22 1o5p n THR 4 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1o5p s ALA 5 N -1.00 -2.06 -0.42 1.79 0.00 -1.26 -1.37 121.76 117.45 1o5p s ALA 5 Ca 0.00 2.15 -0.09 0.00 0.00 0.00 0.00 51.96 54.03 1o5p s ALA 5 Cb 0.00 -1.52 0.08 0.00 0.00 0.00 0.00 23.12 21.68 1o5p s ALA 5 CO 0.00 -0.32 0.25 0.95 0.00 0.00 0.00 175.76 176.64 1o5p s THR 6 N 1.03 4.16 -0.18 0.00 -4.23 -0.16 -4.78 115.64 111.48 1o5p s THR 6 Ca -0.05 -1.44 0.00 0.00 -1.18 0.00 0.00 61.69 59.02 1o5p s THR 6 Cb -0.04 -3.56 0.01 0.00 1.34 0.00 0.00 72.50 70.24 1o5p s THR 6 CO -0.12 -0.52 -0.16 -0.69 -0.54 0.00 0.00 174.62 172.59 1o5p s VAL 7 N 1.41 2.40 -0.14 2.29 1.01 -1.24 0.12 120.40 126.25 1o5p s VAL 7 Ca 0.03 -0.83 -0.30 0.00 0.00 0.00 0.00 61.98 60.88 1o5p s VAL 7 Cb -0.23 -2.02 0.10 0.00 0.00 0.00 0.00 36.38 34.23 1o5p s VAL 7 CO 0.02 0.51 0.87 -0.89 0.00 0.00 0.00 175.10 175.61 1o5p s THR 8 N 1.22 0.00 0.55 3.92 2.01 -0.62 -4.38 115.64 118.34 1o5p s THR 8 Ca 0.03 0.00 -0.17 0.00 0.31 0.00 0.00 61.69 61.86 1o5p s THR 8 Cb -0.14 -1.00 -0.06 0.00 0.01 0.00 0.00 72.50 71.32 1o5p s THR 8 CO -0.08 0.00 1.04 -2.16 -0.69 0.00 0.00 174.62 172.73 1o5p s PRO 9 N -0.93 3.56 -0.01 4.92 0.05 -1.26 -1.11 135.00 140.22 1o5p s PRO 9 Ca -0.05 1.21 0.21 0.00 0.05 0.00 0.00 61.00 62.42 1o5p s PRO 9 Cb -0.01 -2.07 -0.25 0.00 0.05 0.00 0.00 34.50 32.23 1o5p s PRO 9 CO 0.04 -0.61 0.55 0.43 0.05 0.00 0.00 177.00 177.46 1o5p n SER 10 N -1.65 0.24 -4.18 6.66 7.64 -1.26 -4.77 113.62 116.28 1o5p n SER 10 Ca 0.08 0.10 -0.12 0.00 1.01 0.00 0.00 58.87 59.94 1o5p n SER 10 Cb 0.53 1.39 -0.10 0.00 -1.01 0.00 0.00 64.21 65.02 1o5p n SER 10 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1o5p s SER 11 N -4.94 1.32 -0.13 6.43 0.01 -1.26 0.82 113.70 115.94 1o5p s SER 11 Ca -0.06 -0.95 -0.01 0.00 1.31 0.00 0.00 55.95 56.24 1o5p s SER 11 Cb 0.11 0.05 0.00 0.00 0.21 0.00 0.00 66.02 66.40 1o5p s SER 11 CO 0.87 -0.39 0.07 0.61 0.41 0.00 0.00 173.24 174.81 1o5p n GLY 12 N 0.11 0.65 0.13 3.44 0.00 -1.11 -4.90 105.19 103.50 1o5p n GLY 12 Ca -0.13 -0.67 -0.22 0.00 0.00 0.00 0.00 46.02 45.01 1o5p n GLY 12 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1o5p h LEU 13 N -0.16 0.28 -0.59 0.99 3.38 -1.88 -3.51 115.31 113.82 1o5p h LEU 13 Ca -0.05 -0.79 0.00 0.00 0.09 0.00 0.00 57.88 57.13 1o5p h LEU 13 Cb 1.03 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.69 1o5p h LEU 13 CO 0.05 1.70 -0.61 -0.24 0.09 0.00 0.00 178.44 179.43 1o5p n SER 14 N -3.87 -5.75 -4.46 -0.43 2.88 -1.26 -3.84 113.62 96.88 1o5p n SER 14 Ca -0.31 1.01 -0.47 0.00 -1.33 0.00 0.00 58.87 57.77 1o5p n SER 14 Cb 0.90 -2.88 -0.08 0.00 -0.75 0.00 0.00 64.21 61.41 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 -1.56 1.90 0.00 -3.46 5.75 -1.26 -1.99 116.55 115.93 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 0.15 -1.26 0.00 0.00 -1.03 0.00 0.00 41.12 38.98 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 6.48 1.47 0.92 6.12 0.00 -1.26 -5.06 105.19 113.87 1o5p n GLY 16 Ca 0.44 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.41 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 -0.79 0.00 -4.60 2.61 5.66 -0.84 -4.95 114.28 111.36 1o5p n THR 17 Ca 0.00 -0.48 -0.22 0.00 -3.05 0.00 0.00 64.05 60.30 1o5p n THR 17 Cb 0.00 -0.72 -0.15 0.00 -1.55 0.00 0.00 70.33 67.90 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 1.05 0.19 1.08 1.01 -1.26 -1.94 120.40 120.42 1o5p s VAL 18 Ca 0.12 -0.56 0.11 0.00 0.00 0.00 0.00 61.98 61.65 1o5p s VAL 18 Cb -0.01 -0.89 -0.04 0.00 0.00 0.00 0.00 36.38 35.44 1o5p s VAL 18 CO 0.08 0.30 -0.20 0.68 0.00 0.00 0.00 175.10 175.96 1o5p s VAL 19 N -0.23 2.61 -0.35 2.92 -7.23 0.16 -4.71 120.40 113.57 1o5p s VAL 19 Ca 0.03 -1.93 -0.07 0.00 -1.81 0.00 0.00 61.98 58.21 1o5p s VAL 19 Cb -0.06 -2.27 0.04 0.00 0.56 0.00 0.00 36.38 34.66 1o5p s VAL 19 CO -0.00 -0.12 0.14 -0.75 -0.31 0.00 0.00 175.10 174.06 1o5p s LYS 20 N -2.73 2.63 -0.22 4.82 2.20 -0.27 -0.97 119.74 125.20 1o5p s LYS 20 Ca 0.22 -1.21 -0.07 0.00 -0.36 0.00 0.00 55.97 54.55 1o5p s LYS 20 Cb -0.08 -3.53 -0.03 0.00 -1.51 0.00 0.00 37.83 32.67 1o5p s LYS 20 CO 0.11 -0.71 0.05 0.54 -0.36 0.00 0.00 175.35 174.98 1o5p s VAL 21 N 1.42 4.35 0.35 4.02 0.11 -0.90 -1.59 120.40 128.15 1o5p s VAL 21 Ca -0.00 -0.17 0.08 0.00 -2.93 0.00 0.00 61.98 58.96 1o5p s VAL 21 Cb -0.20 -2.99 -0.05 0.00 -1.53 0.00 0.00 36.38 31.61 1o5p s VAL 21 CO 0.03 0.39 0.10 0.00 -3.33 0.00 0.00 175.10 172.30 1o5p s ALA 22 N 1.10 3.41 -0.21 1.54 0.00 0.33 -2.33 121.76 125.61 1o5p s ALA 22 Ca 0.04 -1.89 -0.04 0.00 0.00 0.00 0.00 51.96 50.06 1o5p s ALA 22 Cb -0.14 -0.59 0.08 0.00 0.00 0.00 0.00 23.12 22.47 1o5p s ALA 22 CO 0.03 0.03 0.15 0.20 0.00 0.00 0.00 175.76 176.17 1o5p s GLY 23 N -3.81 0.23 -0.04 0.00 0.00 0.25 -0.99 107.32 102.96 1o5p s GLY 23 Ca 0.37 -0.26 0.05 0.00 0.00 0.00 0.00 44.72 44.89 1o5p s GLY 23 CO 0.22 1.98 -0.20 0.00 0.00 0.00 0.00 173.10 175.10 1o5p s ALA 24 N 2.21 2.41 0.00 3.20 0.00 -0.47 0.73 121.76 129.83 1o5p s ALA 24 Ca 0.05 -1.04 0.00 0.00 0.00 0.00 0.00 51.96 50.97 1o5p s ALA 24 Cb -0.16 -0.78 0.00 0.00 0.00 0.00 0.00 23.12 22.18 1o5p s ALA 24 CO -0.16 0.52 0.00 0.41 0.00 0.00 0.00 175.76 176.53 1o5p n GLY 25 N 2.48 0.61 3.96 0.00 0.00 -0.89 0.15 105.19 111.50 1o5p n GLY 25 Ca -0.17 -0.78 -0.25 0.00 0.00 0.00 0.00 46.02 44.82 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 2.95 -0.86 0.99 1.43 -0.53 -1.44 118.68 121.22 1o5p s LEU 26 Ca 0.00 0.11 -0.29 0.00 -1.03 0.00 0.00 54.13 52.91 1o5p s LEU 26 Cb 0.00 -2.66 -0.18 0.00 0.03 0.00 0.00 46.19 43.38 1o5p s LEU 26 CO 0.00 -1.69 2.61 0.00 0.23 0.00 0.00 176.35 177.50 1o5p n GLN 27 N -2.86 0.28 -1.16 1.70 3.00 -1.26 -4.08 117.38 113.00 1o5p n GLN 27 Ca 0.11 -0.01 -0.23 0.00 -0.01 0.00 0.00 57.00 56.86 1o5p n GLN 27 Cb 0.60 -2.03 -0.11 0.00 0.00 0.00 0.00 30.24 28.70 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 11.95 0.41 0.00 -1.58 0.00 -1.25 -1.31 120.51 128.73 1o5p n ALA 28 Ca 0.58 -2.23 0.00 0.00 0.00 0.00 0.00 53.44 51.79 1o5p n ALA 28 Cb 0.17 -3.15 0.00 0.00 0.00 0.00 0.00 19.45 16.47 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 5.54 0.26 2.68 0.00 0.00 1.04 -4.80 105.19 109.92 1o5p n GLY 29 Ca 0.39 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.19 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 -0.32 -0.21 -0.35 2.61 -4.23 -0.43 -4.88 115.64 107.83 1o5p s THR 30 Ca 0.00 -0.15 -0.35 0.00 -1.18 0.00 0.00 61.69 60.01 1o5p s THR 30 Cb 0.00 -0.64 -0.11 0.00 1.34 0.00 0.00 72.50 73.09 1o5p s THR 30 CO 0.00 -0.25 2.19 0.00 -0.54 0.00 0.00 174.62 176.02 1o5p n ALA 31 N 5.30 1.09 -2.81 3.99 0.00 -1.26 -2.73 120.51 124.10 1o5p n ALA 31 Ca -0.06 -0.06 -0.25 0.00 0.00 0.00 0.00 53.44 53.06 1o5p n ALA 31 Cb 0.49 -2.55 -0.05 0.00 0.00 0.00 0.00 19.45 17.34 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 7.33 3.15 0.32 0.00 1.51 0.16 -4.34 117.35 125.48 1o5p s TYR 32 Ca 1.09 -0.03 0.05 0.00 -1.01 0.00 0.00 57.07 57.17 1o5p s TYR 32 Cb -0.85 -1.49 -0.02 0.00 -0.11 0.00 0.00 41.96 39.49 1o5p s TYR 32 CO 0.49 0.52 0.47 0.34 -1.11 0.00 0.00 175.55 176.25 1o5p s ASP 33 N -3.26 6.08 -0.15 2.29 -1.08 0.70 -1.43 116.67 119.83 1o5p s ASP 33 Ca 0.31 -0.01 -0.04 0.00 -0.52 0.00 0.00 52.55 52.29 1o5p s ASP 33 Cb -0.10 -1.51 0.07 0.00 -1.46 0.00 0.00 42.92 39.93 1o5p s ASP 33 CO 0.24 -0.35 0.20 0.54 0.52 0.00 0.00 175.17 176.32 1o5p s VAL 34 N -2.17 -0.30 0.13 1.11 0.11 -0.21 -1.16 120.40 117.92 1o5p s VAL 34 Ca 0.42 0.10 -0.16 0.00 -2.93 0.00 0.00 61.98 59.40 1o5p s VAL 34 Cb -0.09 -0.51 0.06 0.00 -1.53 0.00 0.00 36.38 34.31 1o5p s VAL 34 CO 0.32 -0.04 0.77 0.61 -3.33 0.00 0.00 175.10 173.42 1o5p n GLY 35 N 5.32 0.77 3.49 6.54 0.00 -0.92 -0.14 105.19 120.26 1o5p n GLY 35 Ca -0.05 -1.09 -0.42 0.00 0.00 0.00 0.00 46.02 44.46 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 3.19 0.11 1.61 -2.07 -1.26 -2.56 119.66 116.65 1o5p s GLN 36 Ca 0.17 -0.85 0.05 0.00 -1.82 0.00 0.00 55.36 52.92 1o5p s GLN 36 Cb -0.02 -3.91 -0.04 0.00 -1.09 0.00 0.00 33.01 27.95 1o5p s GLN 36 CO 0.04 -0.63 -0.13 0.00 -1.32 0.00 0.00 175.29 173.25 1o5p s ALA 38 N -2.12 1.00 -0.35 0.00 0.00 -0.78 -1.51 121.76 118.00 1o5p s ALA 38 Ca 0.07 -0.46 -0.17 0.00 0.00 0.00 0.00 51.96 51.40 1o5p s ALA 38 Cb -0.05 -0.31 -0.00 0.00 0.00 0.00 0.00 23.12 22.76 1o5p s ALA 38 CO 0.02 0.20 0.47 -1.58 0.00 0.00 0.00 175.76 174.88 1o5p s TRP 39 N -0.05 3.18 -0.79 0.00 0.51 -1.26 -1.68 118.94 118.86 1o5p s TRP 39 Ca 0.01 0.09 0.16 0.00 -2.12 0.00 0.00 56.10 54.24 1o5p s TRP 39 Cb -0.07 -2.86 0.57 0.00 -0.81 0.00 0.00 33.47 30.30 1o5p s TRP 39 CO 0.00 -0.53 1.49 1.33 -0.51 0.00 0.00 176.95 178.74 1o5p n VAL 40 N 5.38 1.79 -1.33 4.03 0.24 -0.89 -4.73 118.33 122.83 1o5p n VAL 40 Ca -0.06 -1.34 0.00 0.00 -2.04 0.00 0.00 64.34 60.90 1o5p n VAL 40 Cb 0.49 0.10 0.00 0.00 -1.47 0.00 0.00 33.84 32.96 1o5p n VAL 40 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1o5p n ASP 41 N 0.52 0.00 -4.55 -1.34 9.92 -1.26 -4.95 116.55 114.88 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 3.37 0.00 -3.53 -1.32 -1.26 -2.73 115.64 107.77 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 -3.94 0.00 0.00 -1.51 0.00 0.00 72.50 67.05 1o5p s THR 42 CO 0.00 -0.90 0.00 0.61 -2.21 0.00 0.00 174.62 172.12 1o5p n GLY 43 N 6.03 0.66 3.14 6.08 0.00 -1.26 -5.04 105.19 114.80 1o5p n GLY 43 Ca 0.26 -0.75 -0.35 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 2.99 -0.32 1.61 1.01 -1.11 -5.00 120.40 117.58 1o5p s VAL 44 Ca 0.00 -1.65 -0.00 0.00 0.00 0.00 0.00 61.98 60.33 1o5p s VAL 44 Cb 0.00 -2.85 0.07 0.00 0.00 0.00 0.00 36.38 33.60 1o5p s VAL 44 CO 0.00 -0.30 0.03 -0.22 0.00 0.00 0.00 175.10 174.60 1o5p s LEU 45 N 1.19 4.20 -0.42 3.92 2.96 -1.26 -2.09 118.68 127.18 1o5p s LEU 45 Ca -0.00 -1.56 -0.18 0.00 -0.22 0.00 0.00 54.13 52.17 1o5p s LEU 45 Cb -0.20 -1.70 0.02 0.00 0.50 0.00 0.00 46.19 44.81 1o5p s LEU 45 CO -0.03 -0.32 0.46 0.00 -1.32 0.00 0.00 176.35 175.14 1o5p s ALA 46 N 1.16 3.42 0.03 5.97 0.00 -0.67 -3.55 121.76 128.12 1o5p s ALA 46 Ca -0.01 -1.45 -0.02 0.00 0.00 0.00 0.00 51.96 50.48 1o5p s ALA 46 Cb -0.20 -3.07 -0.04 0.00 0.00 0.00 0.00 23.12 19.81 1o5p s ALA 46 CO -0.03 -1.57 0.21 0.00 0.00 0.00 0.00 175.76 174.36 1o5p s ASN 48 N -2.22 6.32 0.00 0.00 3.84 -0.84 -0.56 114.94 121.48 1o5p s ASN 48 Ca 0.32 0.37 0.00 0.00 0.21 0.00 0.00 52.86 53.76 1o5p s ASN 48 Cb -0.13 -2.11 0.00 0.00 -0.55 0.00 0.00 41.25 38.46 1o5p s ASN 48 CO 0.23 0.22 0.47 -0.81 -2.79 0.00 0.00 177.10 174.43 1o5p n PRO 49 N 3.13 0.67 -0.01 0.43 -0.04 -1.26 -2.99 135.00 134.93 1o5p n PRO 49 Ca -0.16 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.33 1o5p n PRO 49 Cb 0.53 -1.27 0.03 0.00 -0.04 0.00 0.00 33.50 32.75 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 0.37 2.45 -1.75 0.55 0.00 -1.26 -4.53 120.51 116.33 1o5p n ALA 50 Ca 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 53.44 52.84 1o5p n ALA 50 Cb 0.24 -0.18 0.00 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 0.26 0.00 -4.55 0.00 5.68 -1.16 -2.86 116.55 113.92 1o5p n ASP 51 Ca 0.03 -1.72 -0.41 0.00 -0.50 0.00 0.00 54.79 52.19 1o5p n ASP 51 Cb 0.15 -0.14 -0.03 0.00 -1.14 0.00 0.00 41.12 39.96 1o5p n ASP 51 CO 0.00 0.00 0.00 -0.36 -1.33 0.00 0.00 177.20 175.51 1o5p s PHE 52 N 0.00 2.61 0.04 2.11 0.08 -1.25 -3.07 117.98 118.50 1o5p s PHE 52 Ca 0.00 -0.93 0.00 0.00 0.12 0.00 0.00 56.93 56.12 1o5p s PHE 52 Cb 0.00 -4.65 0.00 0.00 -0.57 0.00 0.00 43.02 37.81 1o5p s PHE 52 CO 0.00 -1.88 0.02 0.43 -0.10 0.00 0.00 175.22 173.70 1o5p n SER 53 N 8.57 1.39 0.00 1.36 7.64 0.80 -4.92 113.62 128.45 1o5p n SER 53 Ca 0.32 -1.15 0.00 0.00 1.01 0.00 0.00 58.87 59.05 1o5p n SER 53 Cb 0.51 0.01 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 -1.74 0.00 -3.84 6.43 2.88 -1.26 -1.05 113.62 115.04 1o5p n SER 54 Ca -0.01 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.44 1o5p n SER 54 Cb 0.05 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.44 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 -0.46 0.10 -0.04 2.46 0.11 -0.51 -4.94 120.40 117.11 1o5p s VAL 55 Ca 0.00 -1.10 -0.07 0.00 -2.93 0.00 0.00 61.98 57.88 1o5p s VAL 55 Cb 0.00 -1.48 -0.04 0.00 -1.53 0.00 0.00 36.38 33.32 1o5p s VAL 55 CO 0.00 -0.44 0.23 -0.89 -3.33 0.00 0.00 175.10 170.67 1o5p s THR 56 N -3.88 5.37 -0.35 5.04 2.01 -1.26 0.37 115.64 122.93 1o5p s THR 56 Ca 0.09 0.21 -0.28 0.00 0.31 0.00 0.00 61.69 62.02 1o5p s THR 56 Cb 0.03 -3.52 -0.03 0.00 0.01 0.00 0.00 72.50 69.00 1o5p s THR 56 CO -0.07 0.48 1.90 0.00 -0.69 0.00 0.00 174.62 176.23 1o5p s ALA 57 N -1.18 2.72 0.00 7.40 0.00 -1.11 -4.70 121.76 124.89 1o5p s ALA 57 Ca 0.22 0.23 0.00 0.00 0.00 0.00 0.00 51.96 52.42 1o5p s ALA 57 Cb -0.13 -4.07 0.00 0.00 0.00 0.00 0.00 23.12 18.92 1o5p s ALA 57 CO 0.12 -2.87 0.00 -3.47 0.00 0.00 0.00 175.76 169.54 1o5p n ASP 58 N 11.01 0.00 -0.12 0.00 2.03 -1.26 0.34 116.55 128.55 1o5p n ASP 58 Ca 0.24 0.00 -0.05 0.00 0.52 0.00 0.00 54.79 55.50 1o5p n ASP 58 Cb 0.47 0.00 0.01 0.00 -0.72 0.00 0.00 41.12 40.89 1o5p n ASP 58 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1o5p h ALA 59 N -2.00 0.18 0.00 -1.67 0.00 -1.93 -3.10 119.26 110.74 1o5p h ALA 59 Ca 0.00 0.15 -0.32 0.00 0.00 0.00 0.00 54.91 54.74 1o5p h ALA 59 Cb 0.00 0.40 -0.06 0.00 0.00 0.00 0.00 17.79 18.13 1o5p h ALA 59 CO 0.00 -0.51 -2.20 -1.71 0.00 0.00 0.00 179.25 174.83 1o5p n ASN 60 N -5.35 1.35 0.00 0.00 5.15 -1.26 -4.54 115.26 110.62 1o5p n ASN 60 Ca 0.02 -0.04 0.00 0.00 -0.60 0.00 0.00 54.58 53.96 1o5p n ASN 60 Cb 0.26 0.45 0.00 0.00 -0.53 0.00 0.00 39.78 39.96 1o5p n ASN 60 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1o5p n GLY 61 N 2.14 0.78 3.61 8.20 0.00 -1.17 -1.46 105.19 117.29 1o5p n GLY 61 Ca -0.32 -0.72 -0.35 0.00 0.00 0.00 0.00 46.02 44.63 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 -1.50 5.65 -0.22 1.61 0.01 -1.22 -2.09 113.70 115.95 1o5p s SER 62 Ca 0.00 0.05 -0.02 0.00 1.31 0.00 0.00 55.95 57.29 1o5p s SER 62 Cb 0.00 -1.99 0.07 0.00 0.21 0.00 0.00 66.02 64.31 1o5p s SER 62 CO 0.00 0.12 0.02 0.00 0.41 0.00 0.00 173.24 173.80 1o5p s ALA 63 N 0.68 1.30 -0.23 1.44 0.00 0.22 -4.69 121.76 120.48 1o5p s ALA 63 Ca 0.04 -0.98 0.01 0.00 0.00 0.00 0.00 51.96 51.03 1o5p s ALA 63 Cb -0.13 -1.30 0.03 0.00 0.00 0.00 0.00 23.12 21.73 1o5p s ALA 63 CO 0.02 -1.24 -0.12 -1.12 0.00 0.00 0.00 175.76 173.29 1o5p s SER 64 N 1.72 3.97 -0.06 0.00 0.01 -1.26 0.85 113.70 118.91 1o5p s SER 64 Ca -0.01 -0.95 -0.05 0.00 1.31 0.00 0.00 55.95 56.26 1o5p s SER 64 Cb -0.18 -1.57 0.02 0.00 0.21 0.00 0.00 66.02 64.51 1o5p s SER 64 CO -0.10 -0.10 0.16 0.28 0.41 0.00 0.00 173.24 173.89 1o5p s THR 65 N 1.25 -0.01 -0.17 1.44 -1.32 -0.98 -5.00 115.64 110.84 1o5p s THR 65 Ca -0.01 0.05 -0.09 0.00 -1.21 0.00 0.00 61.69 60.43 1o5p s THR 65 Cb -0.16 -0.23 -0.05 0.00 -1.51 0.00 0.00 72.50 70.55 1o5p s THR 65 CO -0.07 0.02 0.13 -0.94 -2.21 0.00 0.00 174.62 171.54 1o5p s SER 66 N 0.41 6.20 0.28 8.08 1.04 -1.26 -2.11 113.70 126.33 1o5p s SER 66 Ca -0.03 0.29 0.02 0.00 0.48 0.00 0.00 55.95 56.71 1o5p s SER 66 Cb -0.04 -2.06 -0.04 0.00 0.10 0.00 0.00 66.02 63.97 1o5p s SER 66 CO -0.02 0.25 0.13 -0.76 0.98 0.00 0.00 173.24 173.83 1o5p s LEU 67 N -0.08 1.60 -0.24 2.42 1.02 -0.15 -4.92 118.68 118.34 1o5p s LEU 67 Ca 0.10 -1.47 -0.11 0.00 0.02 0.00 0.00 54.13 52.67 1o5p s LEU 67 Cb -0.11 0.14 -0.05 0.00 0.02 0.00 0.00 46.19 46.19 1o5p s LEU 67 CO 0.00 -0.82 0.18 0.42 0.02 0.00 0.00 176.35 176.15 1o5p s THR 68 N -3.72 5.35 0.01 5.49 -4.23 -1.14 0.41 115.64 117.81 1o5p s THR 68 Ca 0.37 0.21 0.02 0.00 -1.18 0.00 0.00 61.69 61.11 1o5p s THR 68 Cb 0.06 -3.52 -0.01 0.00 1.34 0.00 0.00 72.50 70.37 1o5p s THR 68 CO 0.15 0.33 -0.06 0.68 -0.54 0.00 0.00 174.62 175.18 1o5p s VAL 69 N 1.12 0.46 0.00 2.29 -7.23 -0.82 -4.21 120.40 112.02 1o5p s VAL 69 Ca 0.08 -0.53 0.00 0.00 -1.81 0.00 0.00 61.98 59.72 1o5p s VAL 69 Cb -0.14 -0.44 0.00 0.00 0.56 0.00 0.00 36.38 36.36 1o5p s VAL 69 CO 0.05 -0.06 0.00 -2.11 -0.31 0.00 0.00 175.10 172.67 1o5p n ARG 70 N 2.42 0.00 0.00 4.82 1.85 -1.26 -4.16 116.66 120.33 1o5p n ARG 70 Ca -0.16 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.69 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 -1.76 2.89 3.00 -1.26 -4.70 116.66 114.83 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 -0.29 -0.01 0.00 0.00 0.00 0.00 32.46 32.16 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 -1.37 6.34 -0.28 0.55 0.01 -1.26 -1.78 113.70 115.92 1o5p s SER 72 Ca 0.00 2.99 -0.21 0.00 1.31 0.00 0.00 55.95 60.04 1o5p s SER 72 Cb 0.00 -2.64 0.08 0.00 0.21 0.00 0.00 66.02 63.67 1o5p s SER 72 CO 0.00 -0.93 0.75 0.72 0.41 0.00 0.00 173.24 174.19 1o5p s PHE 73 N -0.20 -0.87 -0.33 2.43 -0.71 -0.80 -4.83 117.98 112.68 1o5p s PHE 73 Ca 0.62 1.90 -0.31 0.00 -1.04 0.00 0.00 56.93 58.10 1o5p s PHE 73 Cb -0.48 0.44 -0.13 0.00 -1.21 0.00 0.00 43.02 41.63 1o5p s PHE 73 CO 0.51 -0.42 1.08 0.39 -1.34 0.00 0.00 175.22 175.44 1o5p n GLU 74 N 3.39 0.00 -1.67 1.99 4.71 -1.26 -1.86 120.64 125.94 1o5p n GLU 74 Ca -0.17 0.00 -0.32 0.00 -0.01 0.00 0.00 57.16 56.66 1o5p n GLU 74 Cb 0.57 -1.00 -0.02 0.00 -1.01 0.00 0.00 31.44 29.98 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 2.79 4.81 3.06 0.62 0.00 -0.56 -2.47 105.19 113.43 1o5p n GLY 75 Ca 0.22 -2.11 -0.55 0.00 0.00 0.00 0.00 46.02 43.57 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 0.36 1.40 -3.03 1.61 3.01 0.28 -2.29 117.46 118.80 1o5p n PHE 76 Ca 0.51 0.92 -0.40 0.00 1.01 0.00 0.00 57.45 59.48 1o5p n PHE 76 Cb 0.43 -1.85 -0.05 0.00 -0.01 0.00 0.00 39.48 38.00 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 2.74 4.21 -0.26 4.37 2.96 -0.45 -1.44 118.68 130.82 1o5p s LEU 77 Ca 0.88 1.05 -0.02 0.00 -0.22 0.00 0.00 54.13 55.83 1o5p s LEU 77 Cb -1.24 -3.05 -0.02 0.00 0.50 0.00 0.00 46.19 42.38 1o5p s LEU 77 CO 0.66 -0.25 1.33 0.33 -1.32 0.00 0.00 176.35 177.10 1o5p n PHE 78 N 4.65 0.39 -1.93 5.38 7.35 -1.23 -2.91 117.46 129.16 1o5p n PHE 78 Ca 0.00 -0.88 -0.01 0.00 -0.76 0.00 0.00 57.45 55.80 1o5p n PHE 78 Cb 0.50 -0.91 -0.01 0.00 0.35 0.00 0.00 39.48 39.42 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 4.48 -0.09 0.00 -2.13 2.03 -1.26 -4.98 116.55 114.59 1o5p n ASP 79 Ca 0.14 -1.02 0.00 0.00 0.52 0.00 0.00 54.79 54.43 1o5p n ASP 79 Cb 0.06 0.03 0.00 0.00 -0.72 0.00 0.00 41.12 40.49 1o5p n ASP 79 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1o5p n GLY 80 N 0.00 2.62 3.96 0.27 0.00 -1.14 -4.99 105.19 105.91 1o5p n GLY 80 Ca -0.03 -0.02 -0.22 0.00 0.00 0.00 0.00 46.02 45.76 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 3.88 -0.06 2.61 -4.23 -1.26 -4.95 115.64 110.62 1o5p s THR 81 Ca 0.00 -0.60 0.02 0.00 -1.18 0.00 0.00 61.69 59.93 1o5p s THR 81 Cb 0.00 -3.42 -0.03 0.00 1.34 0.00 0.00 72.50 70.39 1o5p s THR 81 CO 0.00 -0.27 -0.08 0.00 -0.54 0.00 0.00 174.62 173.72 1o5p s ARG 82 N -4.51 2.68 0.35 3.99 1.70 -1.26 -1.35 118.95 120.55 1o5p s ARG 82 Ca 0.49 -0.59 0.21 0.00 -0.47 0.00 0.00 55.73 55.36 1o5p s ARG 82 Cb -0.10 -2.54 0.21 0.00 -0.57 0.00 0.00 34.95 31.95 1o5p s ARG 82 CO 0.37 0.65 1.45 2.35 -1.08 0.00 0.00 175.30 179.04 1o5p h TRP 83 N 5.20 0.00 0.00 5.89 7.01 -1.76 -3.45 115.95 128.84 1o5p h TRP 83 Ca -0.48 0.00 0.00 0.00 2.11 0.00 0.00 58.89 60.52 1o5p h TRP 83 Cb 1.17 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 28.23 1o5p h TRP 83 CO 0.55 0.14 0.00 0.41 -2.79 0.00 0.00 178.44 176.76 1o5p n GLY 84 N 1.15 1.27 3.60 2.65 0.00 -1.26 -4.92 105.19 107.68 1o5p n GLY 84 Ca 0.02 -2.22 -0.43 0.00 0.00 0.00 0.00 46.02 43.40 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 -1.35 3.25 -0.64 2.61 -4.23 -1.26 -1.50 115.64 112.52 1o5p s THR 85 Ca 0.00 0.25 -0.26 0.00 -1.18 0.00 0.00 61.69 60.50 1o5p s THR 85 Cb 0.00 -3.33 0.04 0.00 1.34 0.00 0.00 72.50 70.55 1o5p s THR 85 CO 0.00 -0.21 1.14 -0.69 -0.54 0.00 0.00 174.62 174.32 1o5p s VAL 86 N 7.60 4.04 -0.26 2.29 1.01 -0.78 -4.72 120.40 129.58 1o5p s VAL 86 Ca 0.90 0.44 -0.28 0.00 0.00 0.00 0.00 61.98 63.04 1o5p s VAL 86 Cb -0.28 -4.75 -0.04 0.00 0.00 0.00 0.00 36.38 31.32 1o5p s VAL 86 CO 0.34 -1.48 2.00 -1.81 0.00 0.00 0.00 175.10 174.15 1o5p s ASP 87 N 3.29 5.72 0.00 3.32 1.01 -1.26 -1.90 116.67 126.84 1o5p s ASP 87 Ca 0.35 1.65 0.08 0.00 0.71 0.00 0.00 52.55 55.34 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 0.19 -1.79 1.09 0.00 0.21 0.00 0.00 175.17 174.86 1o5p n THR 89 N -1.25 0.14 0.00 0.00 -2.24 -1.26 -4.06 114.28 105.61 1o5p n THR 89 Ca 0.04 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 1o5p n THR 89 Cb 0.06 0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.37 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 -0.14 0.00 -3.40 4.28 -2.24 -0.34 -5.08 114.28 107.35 1o5p n THR 90 Ca 0.14 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.74 1o5p n THR 90 Cb 0.20 -1.34 0.03 0.00 -2.10 0.00 0.00 70.33 67.12 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 -2.91 0.85 -3.08 6.98 0.00 -1.19 -5.09 120.51 116.06 1o5p n ALA 91 Ca 0.00 -1.73 -0.38 0.00 0.00 0.00 0.00 53.44 51.33 1o5p n ALA 91 Cb 0.47 0.59 -0.12 0.00 0.00 0.00 0.00 19.45 20.39 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 -2.59 3.13 -0.25 0.00 0.00 -1.26 -4.73 121.76 116.06 1o5p s ALA 92 Ca 0.38 -1.49 -0.13 0.00 0.00 0.00 0.00 51.96 50.71 1o5p s ALA 92 Cb -0.03 -2.26 -0.04 0.00 0.00 0.00 0.00 23.12 20.79 1o5p s ALA 92 CO 0.24 -1.00 0.28 0.00 0.00 0.00 0.00 175.76 175.28 1o5p s GLN 94 N 1.54 3.00 -0.40 0.00 -0.21 -0.57 -2.59 119.66 120.43 1o5p s GLN 94 Ca 0.12 -0.58 -0.14 0.00 0.02 0.00 0.00 55.36 54.79 1o5p s GLN 94 Cb -0.15 -2.81 0.03 0.00 1.00 0.00 0.00 33.01 31.08 1o5p s GLN 94 CO 0.08 0.61 0.27 0.08 -2.12 0.00 0.00 175.29 174.21 1o5p s VAL 95 N -1.30 5.03 0.09 1.09 1.01 0.14 -2.29 120.40 124.18 1o5p s VAL 95 Ca 0.26 -0.75 -0.00 0.00 0.00 0.00 0.00 61.98 61.49 1o5p s VAL 95 Cb -0.12 -3.82 0.00 0.00 0.00 0.00 0.00 36.38 32.44 1o5p s VAL 95 CO 0.18 -0.30 0.13 0.61 0.00 0.00 0.00 175.10 175.72 1o5p n GLY 96 N 5.11 2.92 3.12 4.51 0.00 -1.06 0.28 105.19 120.07 1o5p n GLY 96 Ca -0.11 -1.46 -0.25 0.00 0.00 0.00 0.00 46.02 44.20 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 -3.61 0.99 4.32 -1.25 -2.16 117.00 115.29 1o5p n LEU 97 Ca 0.00 -2.57 -0.05 0.00 -0.02 0.00 0.00 56.01 53.38 1o5p n LEU 97 Cb 0.15 0.16 -0.02 0.00 -1.62 0.00 0.00 43.42 42.10 1o5p n LEU 97 CO 0.08 -0.45 0.83 -0.94 -1.22 0.00 0.00 177.39 175.69 1o5p s SER 98 N -3.50 -0.21 0.00 -1.43 1.04 -0.31 -4.36 113.70 104.93 1o5p s SER 98 Ca 0.11 -0.13 0.00 0.00 0.48 0.00 0.00 55.95 56.41 1o5p s SER 98 Cb -0.01 0.32 0.00 0.00 0.10 0.00 0.00 66.02 66.43 1o5p s SER 98 CO 0.07 -0.55 0.00 -0.90 0.98 0.00 0.00 173.24 172.83 1o5p n ASP 99 N -0.31 0.98 -1.54 7.02 5.75 -1.23 0.25 116.55 127.48 1o5p n ASP 99 Ca -0.06 0.00 -0.14 0.00 -0.01 0.00 0.00 54.79 54.58 1o5p n ASP 99 Cb 0.61 0.00 0.09 0.00 -1.03 0.00 0.00 41.12 40.79 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 4.62 -0.01 2.12 0.00 -1.26 -4.65 120.51 118.34 1o5p n ALA 100 Ca 0.00 -3.58 -0.01 0.00 0.00 0.00 0.00 53.44 49.85 1o5p n ALA 100 Cb 0.00 -0.43 -0.01 0.00 0.00 0.00 0.00 19.45 19.01 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 1.97 0.00 0.00 0.00 -1.26 -5.02 120.51 115.32 1o5p n ALA 101 Ca 0.36 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.73 1o5p n ALA 101 Cb 0.88 0.29 0.00 0.00 0.00 0.00 0.00 19.45 20.62 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 3.06 1.15 3.23 0.00 0.00 -1.26 -5.14 105.19 106.24 1o5p n GLY 102 Ca -0.02 -0.08 -0.09 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.86 -0.18 1.61 5.03 -1.26 -4.98 115.26 113.62 1o5p n ASN 103 Ca 0.00 -2.45 0.00 0.00 0.87 0.00 0.00 54.58 53.00 1o5p n ASN 103 Cb 0.00 3.15 0.00 0.00 -1.02 0.00 0.00 39.78 41.91 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 2.51 2.97 7.41 0.00 -1.26 -3.51 105.19 112.84 1o5p n GLY 104 Ca -0.06 -0.78 -0.17 0.00 0.00 0.00 0.00 46.02 45.01 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 -1.60 -2.59 1.61 -0.02 -1.26 -4.90 135.00 126.24 1o5p n PRO 105 Ca 0.00 -0.47 -0.24 0.00 -2.02 0.00 0.00 63.50 60.77 1o5p n PRO 105 Cb 0.00 -1.35 0.13 0.00 -0.02 0.00 0.00 33.50 32.25 1o5p n PRO 105 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 1o5p s GLU 106 N -3.05 1.46 0.29 -0.52 1.03 -1.26 -4.57 118.70 112.07 1o5p s GLU 106 Ca 0.30 -1.22 0.11 0.00 0.03 0.00 0.00 54.97 54.19 1o5p s GLU 106 Cb -0.04 -2.30 -0.05 0.00 -0.80 0.00 0.00 34.13 30.94 1o5p s GLU 106 CO 0.31 -1.62 -0.11 0.20 -1.33 0.00 0.00 175.26 172.71 1o5p s GLY 107 N -4.81 1.86 -0.19 -3.83 0.00 -1.26 -3.78 107.32 95.30 1o5p s GLY 107 Ca 0.69 -1.84 -0.09 0.00 0.00 0.00 0.00 44.72 43.48 1o5p s GLY 107 CO 0.46 -1.89 0.11 0.14 0.00 0.00 0.00 173.10 171.91 1o5p s VAL 108 N -2.46 5.20 0.02 1.40 1.01 0.14 -4.71 120.40 121.00 1o5p s VAL 108 Ca 0.31 0.12 -0.30 0.00 0.00 0.00 0.00 61.98 62.10 1o5p s VAL 108 Cb -0.04 -3.37 -0.05 0.00 0.00 0.00 0.00 36.38 32.92 1o5p s VAL 108 CO 0.17 0.45 1.28 0.00 0.00 0.00 0.00 175.10 177.00 1o5p s ALA 109 N 0.36 3.50 0.63 5.51 0.00 -1.26 0.26 121.76 130.76 1o5p s ALA 109 Ca 0.06 0.83 0.06 0.00 0.00 0.00 0.00 51.96 52.92 1o5p s ALA 109 Cb -0.11 -3.52 0.10 0.00 0.00 0.00 0.00 23.12 19.59 1o5p s ALA 109 CO -0.01 -0.69 0.87 0.96 0.00 0.00 0.00 175.76 176.89 1o5p s ILE 110 N 1.77 2.13 0.02 0.00 -4.36 -1.07 -4.85 121.20 114.84 1o5p s ILE 110 Ca 0.60 -0.86 -0.05 0.00 -0.26 0.00 0.00 60.65 60.08 1o5p s ILE 110 Cb -0.30 -2.27 -0.01 0.00 1.25 0.00 0.00 42.46 41.14 1o5p s ILE 110 CO 0.27 0.00 0.08 -0.44 0.24 0.00 0.00 174.94 175.09 1o5p s SER 111 N -4.70 0.15 -0.47 4.36 0.01 0.24 -4.83 113.70 108.45 1o5p s SER 111 Ca 0.64 -0.43 0.08 0.00 1.31 0.00 0.00 55.95 57.54 1o5p s SER 111 Cb -0.05 0.19 0.26 0.00 0.21 0.00 0.00 66.02 66.63 1o5p s SER 111 CO 0.41 -0.42 0.63 0.49 0.41 0.00 0.00 173.24 174.76 1o5p n PHE 112 N 1.16 1.15 0.00 2.43 3.72 -1.26 -2.75 117.46 121.91 1o5p n PHE 112 Ca -0.21 -3.79 0.00 0.00 -0.05 0.00 0.00 57.45 53.40 1o5p n PHE 112 Cb 0.57 -0.43 0.00 0.00 -0.94 0.00 0.00 39.48 38.68 1o5p n PHE 112 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98