#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cbm s ALA 2 N 0.00 3.55 0.22 0.00 0.00 -1.26 -4.64 121.76 119.63 2cbm s ALA 2 Ca 0.00 1.30 -0.31 0.00 0.00 0.00 0.00 51.96 52.95 2cbm s ALA 2 Cb 0.00 -3.52 -0.11 0.00 0.00 0.00 0.00 23.12 19.50 2cbm s ALA 2 CO 0.00 -0.70 1.59 -1.25 0.00 0.00 0.00 175.76 175.40 2cbm s PRO 3 N -1.22 4.18 0.11 0.00 0.04 -1.17 -4.56 135.00 132.39 2cbm s PRO 3 Ca 0.53 2.46 0.05 0.00 0.04 0.00 0.00 61.00 64.09 2cbm s PRO 3 Cb -0.41 -3.09 -0.04 0.00 0.04 0.00 0.00 34.50 31.00 2cbm s PRO 3 CO 0.49 -0.61 -0.13 0.95 0.04 0.00 0.00 177.00 177.74 2cbm s THR 4 N 0.63 1.23 0.02 1.26 -4.23 0.05 -4.43 115.64 110.18 2cbm s THR 4 Ca 0.67 -1.68 0.04 0.00 -1.18 0.00 0.00 61.69 59.55 2cbm s THR 4 Cb -0.46 -1.47 -0.02 0.00 1.34 0.00 0.00 72.50 71.90 2cbm s THR 4 CO 0.38 -0.44 -0.13 0.00 -0.54 0.00 0.00 174.62 173.89 2cbm s ALA 5 N -2.16 1.11 -0.02 3.99 0.00 -1.26 -1.21 121.76 122.21 2cbm s ALA 5 Ca 0.08 -0.73 0.04 0.00 0.00 0.00 0.00 51.96 51.35 2cbm s ALA 5 Cb -0.05 -0.20 -0.01 0.00 0.00 0.00 0.00 23.12 22.86 2cbm s ALA 5 CO 0.02 0.22 -0.15 0.99 0.00 0.00 0.00 175.76 176.85 2cbm s THR 6 N -0.68 1.18 -0.11 0.00 2.01 0.94 -4.93 115.64 114.06 2cbm s THR 6 Ca 0.02 -0.61 -0.00 0.00 0.31 0.00 0.00 61.69 61.41 2cbm s THR 6 Cb -0.07 -1.00 0.02 0.00 0.01 0.00 0.00 72.50 71.46 2cbm s THR 6 CO 0.01 0.34 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.51 2cbm s VAL 7 N -0.16 1.03 -0.08 3.82 1.01 -1.26 -0.31 120.40 124.45 2cbm s VAL 7 Ca 0.02 -0.30 -0.01 0.00 0.00 0.00 0.00 61.98 61.69 2cbm s VAL 7 Cb -0.08 -1.04 0.03 0.00 0.00 0.00 0.00 36.38 35.29 2cbm s VAL 7 CO 0.00 0.36 -0.02 -0.89 0.00 0.00 0.00 175.10 174.56 2cbm s THR 8 N 1.60 0.52 0.84 3.92 2.01 -0.33 -3.61 115.64 120.58 2cbm s THR 8 Ca 0.03 0.03 -0.12 0.00 0.31 0.00 0.00 61.69 61.93 2cbm s THR 8 Cb -0.13 -0.64 0.10 0.00 0.01 0.00 0.00 72.50 71.83 2cbm s THR 8 CO -0.07 0.28 1.18 -2.16 -0.69 0.00 0.00 174.62 173.16 2cbm s PRO 9 N 1.87 1.73 0.00 4.92 0.04 -1.26 -0.63 135.00 141.68 2cbm s PRO 9 Ca 0.04 0.13 0.00 0.00 0.04 0.00 0.00 61.00 61.22 2cbm s PRO 9 Cb -0.12 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.50 2cbm s PRO 9 CO -0.06 -1.76 0.00 -1.13 0.04 0.00 0.00 177.00 174.09 2cbm n SER 10 N -3.44 2.45 -4.44 6.66 3.41 -1.24 -4.79 113.62 112.24 2cbm n SER 10 Ca 0.08 -0.04 -0.22 0.00 -0.26 0.00 0.00 58.87 58.43 2cbm n SER 10 Cb 0.61 0.57 -0.10 0.00 -0.26 0.00 0.00 64.21 65.03 2cbm n SER 10 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2cbm s SER 11 N -1.06 3.07 -1.54 4.04 1.04 -1.26 -1.29 113.70 116.69 2cbm s SER 11 Ca 0.00 -1.12 -0.05 0.00 0.48 0.00 0.00 55.95 55.26 2cbm s SER 11 Cb 0.00 -0.22 0.01 0.00 0.10 0.00 0.00 66.02 65.91 2cbm s SER 11 CO 0.00 -0.20 0.59 0.61 0.98 0.00 0.00 173.24 175.22 2cbm n GLY 12 N -0.58 -0.52 3.86 7.32 0.00 -1.04 -4.90 105.19 109.33 2cbm n GLY 12 Ca -0.06 0.13 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 2cbm n GLY 12 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2cbm s LEU 13 N -6.67 3.45 0.27 0.99 1.43 -0.22 -4.96 118.68 112.97 2cbm s LEU 13 Ca 0.31 1.44 0.11 0.00 -1.03 0.00 0.00 54.13 54.96 2cbm s LEU 13 Cb -0.14 -4.43 -0.05 0.00 0.03 0.00 0.00 46.19 41.60 2cbm s LEU 13 CO 0.38 -0.71 -0.14 -0.44 0.23 0.00 0.00 176.35 175.67 2cbm s SER 14 N -3.65 3.90 0.32 2.29 0.01 -1.26 -4.36 113.70 110.95 2cbm s SER 14 Ca 0.56 -0.88 -0.29 0.00 1.31 0.00 0.00 55.95 56.65 2cbm s SER 14 Cb -0.10 -0.48 -0.11 0.00 0.21 0.00 0.00 66.02 65.54 2cbm s SER 14 CO 0.43 0.04 1.43 -0.62 0.41 0.00 0.00 173.24 174.92 2cbm s ASP 15 N -3.48 6.56 0.00 2.44 2.15 -1.26 -2.12 116.67 120.96 2cbm s ASP 15 Ca 0.30 2.83 0.00 0.00 0.43 0.00 0.00 52.55 56.10 2cbm s ASP 15 Cb -0.06 -2.65 0.00 0.00 -0.30 0.00 0.00 42.92 39.92 2cbm s ASP 15 CO 0.16 -0.73 0.00 0.61 -0.17 0.00 0.00 175.17 175.05 2cbm n GLY 16 N 1.20 0.82 3.77 2.66 0.00 0.58 -4.95 105.19 109.26 2cbm n GLY 16 Ca 0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 2cbm n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2cbm s THR 17 N -3.17 2.77 -0.35 2.61 2.01 -0.90 -4.71 115.64 113.90 2cbm s THR 17 Ca 0.00 0.61 -0.10 0.00 0.31 0.00 0.00 61.69 62.51 2cbm s THR 17 Cb 0.00 -3.32 0.01 0.00 0.01 0.00 0.00 72.50 69.20 2cbm s THR 17 CO 0.00 0.02 0.18 -0.69 -0.69 0.00 0.00 174.62 173.44 2cbm s VAL 18 N -1.41 4.53 0.07 3.82 1.01 -1.26 -1.10 120.40 126.07 2cbm s VAL 18 Ca 0.63 -0.70 0.01 0.00 0.00 0.00 0.00 61.98 61.92 2cbm s VAL 18 Cb -0.34 -3.45 -0.04 0.00 0.00 0.00 0.00 36.38 32.56 2cbm s VAL 18 CO 0.41 -0.11 0.15 0.68 0.00 0.00 0.00 175.10 176.24 2cbm s VAL 19 N 1.57 5.02 -0.20 2.92 -7.23 0.30 -4.76 120.40 118.01 2cbm s VAL 19 Ca 0.03 -0.56 -0.17 0.00 -1.81 0.00 0.00 61.98 59.47 2cbm s VAL 19 Cb -0.18 -3.44 -0.04 0.00 0.56 0.00 0.00 36.38 33.28 2cbm s VAL 19 CO 0.06 0.13 0.46 -0.75 -0.31 0.00 0.00 175.10 174.69 2cbm s LYS 20 N -2.48 4.17 -0.20 4.82 2.20 0.20 -1.21 119.74 127.25 2cbm s LYS 20 Ca 0.33 0.30 -0.05 0.00 -0.36 0.00 0.00 55.97 56.19 2cbm s LYS 20 Cb -0.13 -3.56 -0.02 0.00 -1.51 0.00 0.00 37.83 32.62 2cbm s LYS 20 CO 0.25 -0.11 -0.01 0.08 -0.36 0.00 0.00 175.35 175.21 2cbm s VAL 21 N 1.51 3.85 0.05 4.02 1.01 0.75 -1.19 120.40 130.41 2cbm s VAL 21 Ca 0.21 -0.35 0.08 0.00 0.00 0.00 0.00 61.98 61.92 2cbm s VAL 21 Cb -0.15 -2.74 -0.03 0.00 0.00 0.00 0.00 36.38 33.46 2cbm s VAL 21 CO 0.09 0.43 -0.22 0.00 0.00 0.00 0.00 175.10 175.40 2cbm s ALA 22 N 1.03 1.87 0.05 5.51 0.00 0.58 -0.94 121.76 129.86 2cbm s ALA 22 Ca 0.02 -1.13 0.05 0.00 0.00 0.00 0.00 51.96 50.89 2cbm s ALA 22 Cb -0.14 -0.36 -0.03 0.00 0.00 0.00 0.00 23.12 22.60 2cbm s ALA 22 CO 0.01 0.42 -0.13 0.20 0.00 0.00 0.00 175.76 176.26 2cbm s GLY 23 N -1.30 0.77 0.05 0.00 0.00 0.30 -0.04 107.32 107.10 2cbm s GLY 23 Ca 0.08 -0.88 -0.03 0.00 0.00 0.00 0.00 44.72 43.89 2cbm s GLY 23 CO 0.02 -0.89 0.03 0.00 0.00 0.00 0.00 173.10 172.26 2cbm s ALA 24 N -1.10 0.25 -1.53 3.20 0.00 -0.35 -2.15 121.76 120.08 2cbm s ALA 24 Ca -0.02 -0.94 0.00 0.00 0.00 0.00 0.00 51.96 51.00 2cbm s ALA 24 Cb -0.09 0.30 0.00 0.00 0.00 0.00 0.00 23.12 23.33 2cbm s ALA 24 CO 0.02 -0.37 0.00 0.41 0.00 0.00 0.00 175.76 175.81 2cbm n GLY 25 N 0.30 0.97 3.92 0.00 0.00 -0.81 -0.77 105.19 108.80 2cbm n GLY 25 Ca -0.16 -0.28 -0.27 0.00 0.00 0.00 0.00 46.02 45.32 2cbm n GLY 25 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2cbm s LEU 26 N -3.80 2.83 -0.27 0.99 1.43 -0.01 -3.03 118.68 116.83 2cbm s LEU 26 Ca 0.00 0.62 -0.29 0.00 -1.03 0.00 0.00 54.13 53.43 2cbm s LEU 26 Cb 0.00 -3.29 0.00 0.00 0.03 0.00 0.00 46.19 42.94 2cbm s LEU 26 CO 0.00 -1.54 1.22 -1.58 0.23 0.00 0.00 176.35 174.68 2cbm s GLN 27 N -5.28 4.05 0.24 1.70 0.74 -1.26 -4.26 119.66 115.60 2cbm s GLN 27 Ca 0.59 1.32 -0.31 0.00 0.05 0.00 0.00 55.36 57.01 2cbm s GLN 27 Cb -0.11 -3.80 -0.13 0.00 1.10 0.00 0.00 33.01 30.07 2cbm s GLN 27 CO 0.46 -0.93 1.52 0.00 -0.55 0.00 0.00 175.29 175.79 2cbm n ALA 28 N 7.11 1.80 0.00 1.58 0.00 -1.26 -1.56 120.51 128.18 2cbm n ALA 28 Ca 0.14 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.98 2cbm n ALA 28 Cb 0.46 -2.37 0.00 0.00 0.00 0.00 0.00 19.45 17.54 2cbm n ALA 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2cbm n GLY 29 N 2.49 2.61 3.78 0.00 0.00 -0.45 -4.99 105.19 108.63 2cbm n GLY 29 Ca 0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 2cbm n GLY 29 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2cbm s THR 30 N -2.21 4.58 0.06 2.61 2.01 -0.60 -4.78 115.64 117.30 2cbm s THR 30 Ca 0.00 1.50 -0.20 0.00 0.31 0.00 0.00 61.69 63.30 2cbm s THR 30 Cb 0.00 -4.04 -0.06 0.00 0.01 0.00 0.00 72.50 68.40 2cbm s THR 30 CO 0.00 0.51 0.60 0.00 -0.69 0.00 0.00 174.62 175.04 2cbm s ALA 31 N -0.92 3.55 -0.02 7.40 0.00 -1.26 -1.53 121.76 128.97 2cbm s ALA 31 Ca 0.33 0.07 0.07 0.00 0.00 0.00 0.00 51.96 52.43 2cbm s ALA 31 Cb -0.21 -2.70 -0.02 0.00 0.00 0.00 0.00 23.12 20.19 2cbm s ALA 31 CO 0.23 0.32 -0.23 0.71 0.00 0.00 0.00 175.76 176.79 2cbm s TYR 32 N -0.86 2.07 -0.08 0.00 1.51 0.18 -4.44 117.35 115.73 2cbm s TYR 32 Ca 0.30 -0.43 -0.26 0.00 -1.01 0.00 0.00 57.07 55.67 2cbm s TYR 32 Cb -0.20 -1.34 -0.03 0.00 -0.11 0.00 0.00 41.96 40.29 2cbm s TYR 32 CO 0.19 -0.07 0.82 -0.46 -1.11 0.00 0.00 175.55 174.93 2cbm s TRP 33 N -0.45 3.56 -0.34 2.71 -0.11 0.15 -1.35 118.94 123.10 2cbm s TRP 33 Ca 0.07 1.38 -0.07 0.00 1.22 0.00 0.00 56.10 58.69 2cbm s TRP 33 Cb -0.10 -2.96 0.03 0.00 -1.50 0.00 0.00 33.47 28.95 2cbm s TRP 33 CO -0.00 -0.04 0.12 0.08 -4.62 0.00 0.00 176.95 172.49 2cbm s VAL 34 N 1.25 3.96 0.18 5.86 1.01 0.57 -1.91 120.40 131.32 2cbm s VAL 34 Ca 0.42 -1.02 -0.07 0.00 0.00 0.00 0.00 61.98 61.31 2cbm s VAL 34 Cb -0.18 -3.20 -0.02 0.00 0.00 0.00 0.00 36.38 32.97 2cbm s VAL 34 CO 0.19 -0.15 0.25 0.00 0.00 0.00 0.00 175.10 175.39 2cbm s ALA 35 N 1.44 0.30 -0.16 5.51 0.00 -0.77 -2.59 121.76 125.49 2cbm s ALA 35 Ca -0.00 -1.11 -0.14 0.00 0.00 0.00 0.00 51.96 50.70 2cbm s ALA 35 Cb -0.19 0.98 -0.05 0.00 0.00 0.00 0.00 23.12 23.86 2cbm s ALA 35 CO 0.03 -0.64 0.32 -1.14 0.00 0.00 0.00 175.76 174.33 2cbm s GLN 36 N -4.02 4.26 0.34 0.00 0.74 -1.26 -0.77 119.66 118.94 2cbm s GLN 36 Ca 0.23 0.14 0.05 0.00 0.05 0.00 0.00 55.36 55.82 2cbm s GLN 36 Cb 0.04 -3.44 -0.07 0.00 1.10 0.00 0.00 33.01 30.64 2cbm s GLN 36 CO 0.04 0.19 0.04 -1.58 -0.55 0.00 0.00 175.29 173.43 2cbm s TRP 37 N 0.60 2.07 -0.27 1.67 0.52 0.34 -1.79 118.94 122.07 2cbm s TRP 37 Ca 0.18 -0.88 -0.14 0.00 0.02 0.00 0.00 56.10 55.27 2cbm s TRP 37 Cb -0.13 -1.36 0.09 0.00 -1.15 0.00 0.00 33.47 30.91 2cbm s TRP 37 CO 0.05 0.11 0.65 0.00 0.02 0.00 0.00 176.95 177.78 2cbm s ALA 38 N -3.17 -1.81 -0.36 0.98 0.00 -0.72 0.15 121.76 116.82 2cbm s ALA 38 Ca 0.36 2.31 -0.29 0.00 0.00 0.00 0.00 51.96 54.34 2cbm s ALA 38 Cb 0.09 -1.44 0.01 0.00 0.00 0.00 0.00 23.12 21.78 2cbm s ALA 38 CO 0.16 -0.47 1.26 0.50 0.00 0.00 0.00 175.76 177.21 2cbm s ARG 39 N 1.84 3.82 0.01 0.00 3.52 -1.26 -1.55 118.95 125.34 2cbm s ARG 39 Ca -0.09 1.01 0.22 0.00 -0.13 0.00 0.00 55.73 56.74 2cbm s ARG 39 Cb -0.07 -3.89 0.01 0.00 -1.56 0.00 0.00 34.95 29.44 2cbm s ARG 39 CO -0.19 -1.24 1.04 1.33 -0.81 0.00 0.00 175.30 175.43 2cbm n VAL 40 N 6.48 0.03 -3.74 7.11 0.24 0.48 -4.87 118.33 124.06 2cbm n VAL 40 Ca 0.14 -0.06 -0.02 0.00 -2.04 0.00 0.00 64.34 62.36 2cbm n VAL 40 Cb 0.47 0.62 -0.01 0.00 -1.47 0.00 0.00 33.84 33.46 2cbm n VAL 40 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2cbm s ASP 41 N -3.22 -0.14 0.02 -1.34 -1.08 -1.00 -5.00 116.67 104.90 2cbm s ASP 41 Ca 0.07 -0.37 -0.30 0.00 -0.52 0.00 0.00 52.55 51.43 2cbm s ASP 41 Cb 0.16 0.42 -0.09 0.00 -1.46 0.00 0.00 42.92 41.95 2cbm s ASP 41 CO 0.81 -0.79 1.99 0.41 0.52 0.00 0.00 175.17 178.12 2cbm n THR 42 N -0.49 0.75 -1.04 1.71 -1.04 -1.26 -1.09 114.28 111.81 2cbm n THR 42 Ca -0.06 -0.16 -0.01 0.00 -2.04 0.00 0.00 64.05 61.78 2cbm n THR 42 Cb 0.61 -2.32 -0.01 0.00 -1.82 0.00 0.00 70.33 66.79 2cbm n THR 42 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2cbm n GLY 43 N 4.62 0.43 2.93 3.41 0.00 -1.26 -5.00 105.19 110.33 2cbm n GLY 43 Ca 0.21 -0.12 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 2cbm n GLY 43 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2cbm s VAL 44 N -1.74 1.28 -0.07 1.61 1.01 -0.25 -5.10 120.40 117.13 2cbm s VAL 44 Ca 0.00 -0.66 0.05 0.00 0.00 0.00 0.00 61.98 61.36 2cbm s VAL 44 Cb 0.00 -1.37 -0.01 0.00 0.00 0.00 0.00 36.38 35.00 2cbm s VAL 44 CO 0.00 0.22 -0.22 0.26 0.00 0.00 0.00 175.10 175.36 2cbm s TRP 45 N 1.57 2.54 -0.01 5.22 0.52 -1.26 -0.39 118.94 127.14 2cbm s TRP 45 Ca 0.01 -0.67 0.05 0.00 0.02 0.00 0.00 56.10 55.51 2cbm s TRP 45 Cb -0.15 -1.65 -0.03 0.00 -1.15 0.00 0.00 33.47 30.49 2cbm s TRP 45 CO -0.08 -0.18 -0.14 0.00 0.02 0.00 0.00 176.95 176.57 2cbm s ALA 46 N -0.11 2.73 0.42 0.98 0.00 -0.59 -4.58 121.76 120.60 2cbm s ALA 46 Ca -0.04 -1.06 0.05 0.00 0.00 0.00 0.00 51.96 50.91 2cbm s ALA 46 Cb -0.14 -0.94 -0.05 0.00 0.00 0.00 0.00 23.12 21.99 2cbm s ALA 46 CO 0.04 0.58 0.03 1.52 0.00 0.00 0.00 175.76 177.93 2cbm s TYR 47 N -0.86 2.17 -0.50 0.00 -0.85 -0.03 -1.76 117.35 115.53 2cbm s TYR 47 Ca 0.14 -0.86 -0.15 0.00 -0.52 0.00 0.00 57.07 55.68 2cbm s TYR 47 Cb -0.11 -1.58 0.10 0.00 0.38 0.00 0.00 41.96 40.75 2cbm s TYR 47 CO 0.04 0.24 0.43 1.21 -1.52 0.00 0.00 175.55 175.94 2cbm s ASN 48 N -3.70 6.13 0.29 -0.18 2.47 -0.74 -1.79 114.94 117.43 2cbm s ASN 48 Ca 0.27 -1.54 0.26 0.00 0.42 0.00 0.00 52.86 52.26 2cbm s ASN 48 Cb 0.07 -2.18 0.90 0.00 -1.45 0.00 0.00 41.25 38.59 2cbm s ASN 48 CO 0.13 -0.73 1.76 1.55 -3.72 0.00 0.00 177.10 176.09 2cbm h PRO 49 N 8.79 0.00 0.00 0.43 0.13 -1.92 -3.23 132.00 136.20 2cbm h PRO 49 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 2cbm h PRO 49 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 2cbm h PRO 49 CO 0.94 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.71 2cbm h ALA 50 N 2.31 1.00 -2.46 -0.56 0.00 -1.92 -3.38 119.26 114.25 2cbm h ALA 50 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 54.91 54.46 2cbm h ALA 50 Cb 0.59 0.00 -0.37 0.00 0.00 0.00 0.00 17.79 18.01 2cbm h ALA 50 CO 0.00 0.00 -0.72 -0.51 0.00 0.00 0.00 179.25 178.02 2cbm s ASP 51 N -4.53 2.58 0.20 0.00 1.01 -1.22 -5.13 116.67 109.58 2cbm s ASP 51 Ca 0.06 -1.20 0.04 0.00 0.71 0.00 0.00 52.55 52.16 2cbm s ASP 51 Cb 0.10 0.05 -0.05 0.00 1.01 0.00 0.00 42.92 44.03 2cbm s ASP 51 CO 0.48 -0.39 -0.04 0.20 0.21 0.00 0.00 175.17 175.62 2cbm s ASN 52 N 2.04 1.82 0.20 0.27 0.01 -1.26 -4.69 114.94 113.34 2cbm s ASN 52 Ca 0.11 -1.14 -0.18 0.00 -0.71 0.00 0.00 52.86 50.93 2cbm s ASN 52 Cb -0.16 0.00 0.03 0.00 0.41 0.00 0.00 41.25 41.53 2cbm s ASN 52 CO -0.29 -0.44 0.55 -0.55 -1.51 0.00 0.00 177.10 174.86 2cbm s SER 53 N -3.25 -0.29 -0.03 -1.22 0.15 -1.07 -5.02 113.70 102.97 2cbm s SER 53 Ca 0.24 -0.46 -0.13 0.00 0.70 0.00 0.00 55.95 56.30 2cbm s SER 53 Cb 0.04 0.60 0.02 0.00 -1.71 0.00 0.00 66.02 64.97 2cbm s SER 53 CO 0.06 -1.08 0.29 -0.94 1.20 0.00 0.00 173.24 172.76 2cbm s SER 54 N -2.87 -0.19 0.03 5.45 1.04 -1.26 -0.31 113.70 115.59 2cbm s SER 54 Ca 0.09 0.15 -0.04 0.00 0.48 0.00 0.00 55.95 56.63 2cbm s SER 54 Cb -0.02 0.36 -0.01 0.00 0.10 0.00 0.00 66.02 66.45 2cbm s SER 54 CO -0.02 -0.37 0.06 0.54 0.98 0.00 0.00 173.24 174.43 2cbm s VAL 55 N -1.05 0.12 -0.17 5.02 0.11 -0.46 -4.95 120.40 119.03 2cbm s VAL 55 Ca -0.11 -1.02 -0.02 0.00 -2.93 0.00 0.00 61.98 57.90 2cbm s VAL 55 Cb -0.05 -0.69 -0.01 0.00 -1.53 0.00 0.00 36.38 34.10 2cbm s VAL 55 CO 0.03 -0.56 -0.09 -0.89 -3.33 0.00 0.00 175.10 170.26 2cbm s THR 56 N -2.17 3.28 0.34 5.04 2.01 -1.26 0.49 115.64 123.37 2cbm s THR 56 Ca -0.09 -0.56 -0.29 0.00 0.31 0.00 0.00 61.69 61.07 2cbm s THR 56 Cb -0.04 -2.43 -0.11 0.00 0.01 0.00 0.00 72.50 69.93 2cbm s THR 56 CO -0.03 0.48 1.45 0.00 -0.69 0.00 0.00 174.62 175.84 2cbm s ALA 57 N 0.79 3.58 1.02 7.40 0.00 -0.58 -4.77 121.76 129.21 2cbm s ALA 57 Ca -0.03 1.48 -0.07 0.00 0.00 0.00 0.00 51.96 53.34 2cbm s ALA 57 Cb -0.15 -3.58 0.09 0.00 0.00 0.00 0.00 23.12 19.48 2cbm s ALA 57 CO 0.01 -0.92 0.49 -0.40 0.00 0.00 0.00 175.76 174.94 2cbm n ASP 58 N 0.93 -0.27 0.19 0.00 5.68 0.69 -1.35 116.55 122.42 2cbm n ASP 58 Ca 0.02 -1.09 0.16 0.00 -0.50 0.00 0.00 54.79 53.38 2cbm n ASP 58 Cb 0.40 -0.38 0.78 0.00 -1.14 0.00 0.00 41.12 40.78 2cbm n ASP 58 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2cbm h ALA 59 N -2.00 1.92 -0.14 2.12 0.00 -1.94 -1.03 119.26 118.19 2cbm h ALA 59 Ca -0.16 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2cbm h ALA 59 Cb 0.45 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2cbm h ALA 59 CO 0.11 -0.27 0.00 0.09 0.00 0.00 0.00 179.25 179.18 2cbm n ASN 60 N -4.03 2.07 0.00 0.00 3.02 -1.26 -4.77 115.26 110.29 2cbm n ASN 60 Ca 0.02 -1.73 0.00 0.00 -0.03 0.00 0.00 54.58 52.83 2cbm n ASN 60 Cb 0.30 -0.09 0.00 0.00 -0.61 0.00 0.00 39.78 39.39 2cbm n ASN 60 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2cbm n GLY 61 N 1.23 0.49 3.45 7.41 0.00 -0.39 -4.52 105.19 112.87 2cbm n GLY 61 Ca 0.17 -0.91 -0.29 0.00 0.00 0.00 0.00 46.02 44.99 2cbm n GLY 61 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cbm s SER 62 N -2.86 3.68 0.09 1.61 0.01 -1.26 -0.83 113.70 114.14 2cbm s SER 62 Ca 0.00 -0.64 -0.26 0.00 1.31 0.00 0.00 55.95 56.36 2cbm s SER 62 Cb 0.00 -0.42 0.08 0.00 0.21 0.00 0.00 66.02 65.89 2cbm s SER 62 CO 0.00 0.17 0.79 0.00 0.41 0.00 0.00 173.24 174.61 2cbm s ALA 63 N -1.15 -1.69 -0.01 1.44 0.00 -0.91 -0.22 121.76 119.21 2cbm s ALA 63 Ca 0.17 0.65 -0.29 0.00 0.00 0.00 0.00 51.96 52.49 2cbm s ALA 63 Cb -0.10 0.63 0.08 0.00 0.00 0.00 0.00 23.12 23.73 2cbm s ALA 63 CO 0.09 -0.78 0.70 -1.54 0.00 0.00 0.00 175.76 174.23 2cbm s SER 64 N -2.65 -0.59 0.27 0.00 1.04 -1.26 -0.54 113.70 109.96 2cbm s SER 64 Ca 0.05 0.47 -0.20 0.00 0.48 0.00 0.00 55.95 56.75 2cbm s SER 64 Cb -0.01 0.52 0.06 0.00 0.10 0.00 0.00 66.02 66.69 2cbm s SER 64 CO -0.08 -0.67 0.91 0.28 0.98 0.00 0.00 173.24 174.66 2cbm s THR 65 N -1.91 0.00 0.09 2.02 -1.32 -0.12 -4.99 115.64 109.41 2cbm s THR 65 Ca -0.06 -0.79 0.02 0.00 -1.21 0.00 0.00 61.69 59.64 2cbm s THR 65 Cb -0.00 -2.69 -0.04 0.00 -1.51 0.00 0.00 72.50 68.26 2cbm s THR 65 CO 0.03 0.00 0.17 -0.44 -2.21 0.00 0.00 174.62 172.16 2cbm s SER 66 N -3.17 5.99 -0.08 8.08 0.01 -1.26 -0.18 113.70 123.09 2cbm s SER 66 Ca 0.17 0.12 -0.04 0.00 1.31 0.00 0.00 55.95 57.51 2cbm s SER 66 Cb -0.04 -1.74 0.04 0.00 0.21 0.00 0.00 66.02 64.49 2cbm s SER 66 CO 0.07 0.15 0.18 -0.22 0.41 0.00 0.00 173.24 173.84 2cbm s LEU 67 N -2.61 0.71 -0.26 2.44 2.96 -0.35 -4.83 118.68 116.74 2cbm s LEU 67 Ca 0.33 0.39 -0.19 0.00 -0.22 0.00 0.00 54.13 54.43 2cbm s LEU 67 Cb -0.12 0.53 -0.02 0.00 0.50 0.00 0.00 46.19 47.07 2cbm s LEU 67 CO 0.26 -0.14 0.58 -0.89 -1.32 0.00 0.00 176.35 174.83 2cbm s THR 68 N 1.04 5.02 0.34 3.68 2.01 -1.26 -0.54 115.64 125.93 2cbm s THR 68 Ca -0.08 1.03 -0.03 0.00 0.31 0.00 0.00 61.69 62.92 2cbm s THR 68 Cb -0.10 -3.89 -0.04 0.00 0.01 0.00 0.00 72.50 68.48 2cbm s THR 68 CO -0.06 0.06 0.58 0.68 -0.69 0.00 0.00 174.62 175.19 2cbm s VAL 69 N 2.40 5.04 -0.02 3.82 -7.23 -0.26 -4.87 120.40 119.29 2cbm s VAL 69 Ca 0.24 -0.15 0.04 0.00 -1.81 0.00 0.00 61.98 60.31 2cbm s VAL 69 Cb -0.16 -3.81 -0.01 0.00 0.56 0.00 0.00 36.38 32.97 2cbm s VAL 69 CO 0.09 -0.50 -0.15 -0.13 -0.31 0.00 0.00 175.10 174.10 2cbm s ARG 70 N -4.05 1.35 0.20 4.82 1.81 -1.26 -0.31 118.95 121.52 2cbm s ARG 70 Ca 0.43 -0.54 -0.07 0.00 -1.72 0.00 0.00 55.73 53.82 2cbm s ARG 70 Cb -0.10 -1.26 0.14 0.00 -0.45 0.00 0.00 34.95 33.27 2cbm s ARG 70 CO 0.35 0.29 1.70 -0.09 -0.68 0.00 0.00 175.30 176.87 2cbm h ARG 71 N 5.94 1.08 -4.25 3.54 2.43 -1.92 -3.44 114.38 117.75 2cbm h ARG 71 Ca -0.35 -0.28 -0.23 0.00 -0.81 0.00 0.00 59.98 58.31 2cbm h ARG 71 Cb 1.16 -0.13 -0.22 0.00 -0.42 0.00 0.00 29.97 30.36 2cbm h ARG 71 CO 0.48 0.99 -0.72 -1.12 -1.51 0.00 0.00 179.97 178.09 2cbm s SER 72 N -6.52 0.53 0.14 -3.80 0.01 -1.26 0.05 113.70 102.85 2cbm s SER 72 Ca -0.12 -0.46 -0.19 0.00 1.31 0.00 0.00 55.95 56.49 2cbm s SER 72 Cb 0.14 0.05 0.05 0.00 0.21 0.00 0.00 66.02 66.48 2cbm s SER 72 CO 0.85 -0.21 0.50 0.72 0.41 0.00 0.00 173.24 175.50 2cbm s PHE 73 N -1.23 -0.36 -0.67 2.43 -0.12 -0.64 -4.98 117.98 112.41 2cbm s PHE 73 Ca -0.11 0.10 -0.27 0.00 -0.05 0.00 0.00 56.93 56.60 2cbm s PHE 73 Cb -0.09 0.40 0.03 0.00 -0.63 0.00 0.00 43.02 42.74 2cbm s PHE 73 CO -0.00 -0.77 1.20 -2.00 -0.05 0.00 0.00 175.22 173.60 2cbm s GLU 74 N -3.78 3.31 0.39 1.99 2.56 -1.26 -0.48 118.70 121.42 2cbm s GLU 74 Ca 0.02 -0.12 -0.25 0.00 0.00 0.00 0.00 54.97 54.62 2cbm s GLU 74 Cb 0.00 -4.12 -0.09 0.00 2.00 0.00 0.00 34.13 31.93 2cbm s GLU 74 CO -0.12 -1.92 1.08 0.20 -0.56 0.00 0.00 175.26 173.94 2cbm s GLY 75 N 3.40 2.80 0.09 -1.50 0.00 0.28 -4.59 107.32 107.82 2cbm s GLY 75 Ca 0.36 0.78 0.03 0.00 0.00 0.00 0.00 44.72 45.90 2cbm s GLY 75 CO 0.18 1.25 -0.09 -1.36 0.00 0.00 0.00 173.10 173.09 2cbm s PHE 76 N -1.55 0.99 0.29 1.90 0.08 -0.74 -0.63 117.98 118.32 2cbm s PHE 76 Ca 0.56 -0.70 -0.07 0.00 0.12 0.00 0.00 56.93 56.84 2cbm s PHE 76 Cb -0.25 -0.55 -0.06 0.00 -0.57 0.00 0.00 43.02 41.59 2cbm s PHE 76 CO 0.32 -0.04 0.59 -0.51 -0.10 0.00 0.00 175.22 175.48 2cbm s LEU 77 N -2.53 4.05 0.55 -0.37 1.43 0.12 -0.86 118.68 121.08 2cbm s LEU 77 Ca 0.06 0.85 0.31 0.00 -1.03 0.00 0.00 54.13 54.33 2cbm s LEU 77 Cb -0.02 -3.67 1.71 0.00 0.03 0.00 0.00 46.19 44.25 2cbm s LEU 77 CO -0.01 -0.20 1.95 0.15 0.23 0.00 0.00 176.35 178.48 2cbm h PHE 78 N 1.87 0.00 -0.00 0.29 3.57 -1.88 0.35 116.94 121.14 2cbm h PHE 78 Ca -0.47 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.03 2cbm h PHE 78 Cb 1.18 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.92 2cbm h PHE 78 CO 0.59 0.00 -0.07 -0.40 -2.23 0.00 0.00 178.31 176.21 2cbm n ASP 79 N -2.72 0.42 0.00 0.41 5.75 -1.26 -4.89 116.55 114.27 2cbm n ASP 79 Ca -0.02 -0.67 0.00 0.00 -0.01 0.00 0.00 54.79 54.08 2cbm n ASP 79 Cb 0.19 -0.08 0.00 0.00 -1.03 0.00 0.00 41.12 40.20 2cbm n ASP 79 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2cbm n GLY 80 N 1.22 0.47 3.74 6.12 0.00 0.11 -5.07 105.19 111.78 2cbm n GLY 80 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 2cbm n GLY 80 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2cbm s THR 81 N -2.00 3.55 0.01 2.61 2.01 -1.23 -4.81 115.64 115.78 2cbm s THR 81 Ca 0.00 1.29 -0.30 0.00 0.31 0.00 0.00 61.69 62.99 2cbm s THR 81 Cb 0.00 -3.82 -0.03 0.00 0.01 0.00 0.00 72.50 68.65 2cbm s THR 81 CO 0.00 0.20 1.04 -0.60 -0.69 0.00 0.00 174.62 174.57 2cbm s ARG 82 N -0.14 4.51 -0.24 4.92 3.52 -1.26 0.13 118.95 130.41 2cbm s ARG 82 Ca 0.54 1.51 -0.16 0.00 -0.13 0.00 0.00 55.73 57.49 2cbm s ARG 82 Cb -0.33 -3.44 -0.10 0.00 -1.56 0.00 0.00 34.95 29.52 2cbm s ARG 82 CO 0.36 -0.13 -0.34 1.87 -0.81 0.00 0.00 175.30 176.25 2cbm n TRP 83 N 4.02 0.04 -0.31 5.12 -0.00 0.19 -4.88 117.44 121.63 2cbm n TRP 83 Ca 0.07 0.02 0.00 0.00 -0.00 0.00 0.00 57.50 57.59 2cbm n TRP 83 Cb 0.50 -0.79 0.00 0.00 -0.00 0.00 0.00 31.31 31.01 2cbm n TRP 83 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 2cbm n GLY 84 N 1.35 -0.24 3.72 5.87 0.00 -0.78 -4.98 105.19 110.13 2cbm n GLY 84 Ca -0.37 -1.72 -0.42 0.00 0.00 0.00 0.00 46.02 43.51 2cbm n GLY 84 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2cbm s THR 85 N -1.57 2.92 -0.20 2.61 2.01 -1.26 0.10 115.64 120.26 2cbm s THR 85 Ca 0.00 0.69 -0.01 0.00 0.31 0.00 0.00 61.69 62.67 2cbm s THR 85 Cb 0.00 -3.44 0.00 0.00 0.01 0.00 0.00 72.50 69.07 2cbm s THR 85 CO 0.00 0.07 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.19 2cbm s VAL 86 N 0.84 2.75 -0.42 3.82 1.01 0.37 -4.84 120.40 123.92 2cbm s VAL 86 Ca 0.65 -0.71 -0.11 0.00 0.00 0.00 0.00 61.98 61.81 2cbm s VAL 86 Cb -0.40 -2.21 0.07 0.00 0.00 0.00 0.00 36.38 33.83 2cbm s VAL 86 CO 0.34 0.48 0.29 -0.62 0.00 0.00 0.00 175.10 175.58 2cbm s ASP 87 N 1.34 5.80 0.00 3.32 -1.08 -1.26 -1.62 116.67 123.17 2cbm s ASP 87 Ca 0.05 -1.35 0.17 0.00 -0.52 0.00 0.00 52.55 50.90 2cbm s ASP 87 Cb -0.14 -2.05 0.96 0.00 -1.46 0.00 0.00 42.92 40.23 2cbm s ASP 87 CO -0.07 -0.54 1.46 0.00 0.52 0.00 0.00 175.17 176.54 2cbm h THR 89 N 0.00 0.48 0.00 0.00 1.35 -1.93 -3.38 112.91 109.43 2cbm h THR 89 Ca 0.00 -1.74 -0.20 0.00 -0.55 0.00 0.00 66.41 63.92 2cbm h THR 89 Cb 0.06 2.12 -0.04 0.00 -1.73 0.00 0.00 68.15 68.56 2cbm h THR 89 CO 0.00 0.27 -1.76 0.35 -0.25 0.00 0.00 175.52 174.14 2cbm n THR 90 N -3.05 0.76 -2.29 6.82 -2.24 -0.69 -5.02 114.28 108.57 2cbm n THR 90 Ca -0.00 -0.28 -0.29 0.00 -2.27 0.00 0.00 64.05 61.21 2cbm n THR 90 Cb 0.69 -1.08 0.00 0.00 -2.10 0.00 0.00 70.33 67.85 2cbm n THR 90 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2cbm s ALA 91 N -2.26 3.26 -1.09 6.98 0.00 0.70 -5.00 121.76 124.35 2cbm s ALA 91 Ca -0.18 -0.33 -0.15 0.00 0.00 0.00 0.00 51.96 51.30 2cbm s ALA 91 Cb 0.05 -2.81 0.17 0.00 0.00 0.00 0.00 23.12 20.53 2cbm s ALA 91 CO 0.30 -0.51 1.28 0.00 0.00 0.00 0.00 175.76 176.82 2cbm s ALA 92 N -2.94 3.83 0.61 0.00 0.00 -1.26 -4.56 121.76 117.43 2cbm s ALA 92 Ca 0.51 -3.18 -0.13 0.00 0.00 0.00 0.00 51.96 49.16 2cbm s ALA 92 Cb -0.11 -4.04 -0.04 0.00 0.00 0.00 0.00 23.12 18.94 2cbm s ALA 92 CO 0.49 -2.79 1.03 0.00 0.00 0.00 0.00 175.76 174.49 2cbm s GLN 94 N -4.75 1.06 -0.12 0.00 -0.21 0.12 -2.27 119.66 113.49 2cbm s GLN 94 Ca 0.58 -1.19 0.01 0.00 0.02 0.00 0.00 55.36 54.78 2cbm s GLN 94 Cb -0.12 0.35 -0.01 0.00 1.00 0.00 0.00 33.01 34.23 2cbm s GLN 94 CO 0.47 -0.37 -0.17 0.08 -2.12 0.00 0.00 175.29 173.18 2cbm s VAL 95 N -3.97 2.67 0.13 1.09 1.01 -0.26 0.13 120.40 121.19 2cbm s VAL 95 Ca 0.16 -0.80 0.01 0.00 0.00 0.00 0.00 61.98 61.36 2cbm s VAL 95 Cb 0.04 -2.09 -0.04 0.00 0.00 0.00 0.00 36.38 34.29 2cbm s VAL 95 CO -0.01 0.54 -0.02 -0.83 0.00 0.00 0.00 175.10 174.77 2cbm s GLY 96 N 0.39 0.94 -0.13 4.51 0.00 0.05 -1.06 107.32 112.02 2cbm s GLY 96 Ca -0.13 -1.44 0.03 0.00 0.00 0.00 0.00 44.72 43.17 2cbm s GLY 96 CO 0.06 -1.46 -0.22 1.08 0.00 0.00 0.00 173.10 172.56 2cbm s LEU 97 N -3.08 2.14 -0.01 0.66 1.02 -1.25 -1.84 118.68 116.31 2cbm s LEU 97 Ca 0.17 -0.57 -0.01 0.00 0.02 0.00 0.00 54.13 53.74 2cbm s LEU 97 Cb 0.06 -1.44 0.00 0.00 0.02 0.00 0.00 46.19 44.83 2cbm s LEU 97 CO -0.01 0.11 0.03 -0.94 0.02 0.00 0.00 176.35 175.56 2cbm s SER 98 N 0.62 -0.02 0.84 2.29 1.04 -0.80 -3.82 113.70 113.85 2cbm s SER 98 Ca -0.12 0.05 -0.07 0.00 0.48 0.00 0.00 55.95 56.30 2cbm s SER 98 Cb -0.16 0.05 0.13 0.00 0.10 0.00 0.00 66.02 66.14 2cbm s SER 98 CO 0.03 -0.01 0.83 -0.90 0.98 0.00 0.00 173.24 174.16 2cbm n ASP 99 N 3.11 0.45 0.27 7.02 5.68 0.14 -0.68 116.55 132.55 2cbm n ASP 99 Ca -0.13 -1.54 0.18 0.00 -0.50 0.00 0.00 54.79 52.80 2cbm n ASP 99 Cb 0.59 -0.60 0.94 0.00 -1.14 0.00 0.00 41.12 40.91 2cbm n ASP 99 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2cbm h ALA 100 N -1.30 1.50 -0.01 2.12 0.00 -1.89 0.24 119.26 119.93 2cbm h ALA 100 Ca -0.27 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2cbm h ALA 100 Cb 0.84 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.64 2cbm h ALA 100 CO 0.23 -0.16 -0.28 0.00 0.00 0.00 0.00 179.25 179.03 2cbm n ALA 101 N -2.22 3.14 -0.50 0.00 0.00 -1.26 -4.91 120.51 114.74 2cbm n ALA 101 Ca -0.01 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.02 2cbm n ALA 101 Cb 0.21 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.55 2cbm n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2cbm n GLY 102 N 1.35 0.74 3.95 0.00 0.00 0.07 -5.06 105.19 106.24 2cbm n GLY 102 Ca 0.12 -0.06 -0.20 0.00 0.00 0.00 0.00 46.02 45.87 2cbm n GLY 102 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2cbm s ASN 103 N -2.06 5.91 0.00 1.61 0.01 -1.26 -4.75 114.94 114.41 2cbm s ASN 103 Ca 0.00 -0.17 0.00 0.00 -0.71 0.00 0.00 52.86 51.98 2cbm s ASN 103 Cb 0.00 -1.38 0.00 0.00 0.41 0.00 0.00 41.25 40.28 2cbm s ASN 103 CO 0.00 -0.28 0.00 0.61 -1.51 0.00 0.00 177.10 175.92 2cbm n GLY 104 N -1.49 -0.16 3.71 0.66 0.00 -1.26 0.29 105.19 106.93 2cbm n GLY 104 Ca -0.04 -1.53 -0.32 0.00 0.00 0.00 0.00 46.02 44.13 2cbm n GLY 104 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2cbm s PRO 105 N -2.00 1.61 0.52 1.61 0.02 -1.25 -4.97 135.00 130.54 2cbm s PRO 105 Ca 0.00 1.56 -0.22 0.00 0.02 0.00 0.00 61.00 62.37 2cbm s PRO 105 Cb 0.00 -1.79 -0.06 0.00 0.02 0.00 0.00 34.50 32.67 2cbm s PRO 105 CO 0.00 -2.20 1.24 -2.00 -0.33 0.00 0.00 177.00 173.72 2cbm s GLU 106 N -4.43 3.39 0.57 5.54 2.12 -1.26 -4.64 118.70 119.99 2cbm s GLU 106 Ca 0.68 1.95 -0.20 0.00 0.36 0.00 0.00 54.97 57.77 2cbm s GLU 106 Cb -0.24 -2.26 -0.04 0.00 0.26 0.00 0.00 34.13 31.85 2cbm s GLU 106 CO 0.53 -0.91 1.25 0.20 -0.54 0.00 0.00 175.26 175.79 2cbm s GLY 107 N -1.26 2.80 -0.32 -1.50 0.00 -1.26 -4.66 107.32 101.12 2cbm s GLY 107 Ca 0.69 1.10 -0.11 0.00 0.00 0.00 0.00 44.72 46.40 2cbm s GLY 107 CO 0.39 1.53 0.19 0.14 0.00 0.00 0.00 173.10 175.36 2cbm s VAL 108 N -1.49 4.95 0.53 1.40 1.01 -0.23 -4.90 120.40 121.66 2cbm s VAL 108 Ca 0.75 -0.28 -0.22 0.00 0.00 0.00 0.00 61.98 62.23 2cbm s VAL 108 Cb -0.33 -3.51 -0.06 0.00 0.00 0.00 0.00 36.38 32.48 2cbm s VAL 108 CO 0.37 0.05 1.34 0.00 0.00 0.00 0.00 175.10 176.87 2cbm n ALA 109 N 5.04 1.55 -2.31 5.51 0.00 -1.26 -1.10 120.51 127.94 2cbm n ALA 109 Ca -0.13 0.15 -0.10 0.00 0.00 0.00 0.00 53.44 53.36 2cbm n ALA 109 Cb 0.50 -2.34 -0.10 0.00 0.00 0.00 0.00 19.45 17.50 2cbm n ALA 109 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 2cbm s ILE 110 N -1.28 0.47 0.02 0.00 -4.36 -0.96 -4.85 121.20 110.23 2cbm s ILE 110 Ca 0.70 -1.69 -0.01 0.00 -0.26 0.00 0.00 60.65 59.39 2cbm s ILE 110 Cb -0.43 -1.36 -0.01 0.00 1.25 0.00 0.00 42.46 41.91 2cbm s ILE 110 CO 0.51 -0.82 0.00 -0.94 0.24 0.00 0.00 174.94 173.93 2cbm s SER 111 N -2.67 0.19 0.00 4.36 1.04 -0.41 -4.48 113.70 111.73 2cbm s SER 111 Ca 0.05 -0.42 0.03 0.00 0.48 0.00 0.00 55.95 56.09 2cbm s SER 111 Cb 0.03 0.12 0.02 0.00 0.10 0.00 0.00 66.02 66.29 2cbm s SER 111 CO -0.05 -0.30 0.60 0.49 0.98 0.00 0.00 173.24 174.96