#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oau s VAL 2 N 0.00 4.01 -0.03 6.31 1.01 -1.26 -4.03 120.40 126.41 1oau s VAL 2 Ca 0.00 1.43 -0.02 0.00 0.00 0.00 0.00 61.98 63.39 1oau s VAL 2 Cb 0.00 -3.92 0.01 0.00 0.00 0.00 0.00 36.38 32.48 1oau s VAL 2 CO 0.00 0.09 0.08 -1.10 0.00 0.00 0.00 175.10 174.17 1oau s GLN 3 N 1.25 0.07 -0.34 2.72 -0.21 0.17 -4.99 119.66 118.32 1oau s GLN 3 Ca 0.59 0.16 0.03 0.00 0.02 0.00 0.00 55.36 56.16 1oau s GLN 3 Cb -0.29 -0.03 0.10 0.00 1.00 0.00 0.00 33.01 33.79 1oau s GLN 3 CO 0.28 -0.05 0.06 -0.51 -2.12 0.00 0.00 175.29 172.95 1oau s LEU 4 N 0.34 4.75 -0.38 2.90 1.43 -1.26 -1.38 118.68 125.07 1oau s LEU 4 Ca -0.02 -2.10 -0.13 0.00 -1.03 0.00 0.00 54.13 50.84 1oau s LEU 4 Cb -0.04 -1.65 0.01 0.00 0.03 0.00 0.00 46.19 44.55 1oau s LEU 4 CO -0.01 -0.39 0.26 -1.58 0.23 0.00 0.00 176.35 174.86 1oau s GLN 5 N 0.94 3.07 0.38 1.70 2.00 -0.17 -3.80 119.66 123.79 1oau s GLN 5 Ca 0.10 -0.93 -0.04 0.00 -2.00 0.00 0.00 55.36 52.48 1oau s GLN 5 Cb -0.19 -3.86 -0.04 0.00 0.80 0.00 0.00 33.01 29.71 1oau s GLN 5 CO -0.07 -0.65 0.65 -0.65 -0.50 0.00 0.00 175.29 174.06 1oau s GLN 6 N 1.66 3.58 1.00 1.67 -0.21 -1.26 -0.74 119.66 125.35 1oau s GLN 6 Ca 0.05 0.02 -0.12 0.00 0.02 0.00 0.00 55.36 55.33 1oau s GLN 6 Cb -0.19 -2.53 0.19 0.00 1.00 0.00 0.00 33.01 31.48 1oau s GLN 6 CO 0.09 0.03 1.08 -1.54 -2.12 0.00 0.00 175.29 172.83 1oau s SER 7 N -3.73 2.49 0.94 5.90 1.04 -0.89 -4.97 113.70 114.49 1oau s SER 7 Ca 0.45 1.56 -0.12 0.00 0.48 0.00 0.00 55.95 58.32 1oau s SER 7 Cb -0.10 -2.23 0.16 0.00 0.10 0.00 0.00 66.02 63.95 1oau s SER 7 CO 0.37 -3.27 1.09 -0.83 0.98 0.00 0.00 173.24 171.58 1oau s GLY 8 N -3.03 1.59 0.60 7.32 0.00 -1.26 -4.64 107.32 107.90 1oau s GLY 8 Ca 0.66 -0.23 -0.18 0.00 0.00 0.00 0.00 44.72 44.97 1oau s GLY 8 CO 0.60 0.32 0.55 0.00 0.00 0.00 0.00 173.10 174.57 1oau n ALA 9 N -4.01 -1.12 -2.60 3.20 0.00 -1.26 -4.78 120.51 109.95 1oau n ALA 9 Ca 0.06 -0.06 -0.21 0.00 0.00 0.00 0.00 53.44 53.23 1oau n ALA 9 Cb 0.56 -1.85 -0.14 0.00 0.00 0.00 0.00 19.45 18.02 1oau n ALA 9 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1oau s GLU 10 N -2.25 1.04 -0.16 0.00 0.41 -0.13 -4.99 118.70 112.62 1oau s GLU 10 Ca 0.69 -0.60 -0.01 0.00 -0.41 0.00 0.00 54.97 54.63 1oau s GLU 10 Cb -0.43 -1.03 0.04 0.00 -1.78 0.00 0.00 34.13 30.94 1oau s GLU 10 CO 0.54 0.27 -0.02 -1.17 -0.49 0.00 0.00 175.26 174.39 1oau s LEU 11 N -0.66 1.38 0.08 1.80 2.96 -1.26 -1.20 118.68 121.77 1oau s LEU 11 Ca 0.04 -0.62 0.02 0.00 -0.22 0.00 0.00 54.13 53.35 1oau s LEU 11 Cb -0.06 -0.77 -0.04 0.00 0.50 0.00 0.00 46.19 45.82 1oau s LEU 11 CO 0.00 -0.21 -0.08 0.68 -1.32 0.00 0.00 176.35 175.42 1oau s VAL 12 N 1.73 0.69 0.46 1.68 -7.23 -0.65 -4.99 120.40 112.09 1oau s VAL 12 Ca 0.01 -1.63 -0.19 0.00 -1.81 0.00 0.00 61.98 58.35 1oau s VAL 12 Cb -0.15 -1.31 -0.10 0.00 0.56 0.00 0.00 36.38 35.38 1oau s VAL 12 CO -0.07 -0.68 0.97 -0.54 -0.31 0.00 0.00 175.10 174.47 1oau s LYS 13 N -2.99 4.10 0.36 4.82 1.02 -1.26 -0.56 119.74 125.24 1oau s LYS 13 Ca 0.04 1.07 -0.28 0.00 0.02 0.00 0.00 55.97 56.82 1oau s LYS 13 Cb -0.01 -2.16 -0.11 0.00 -0.52 0.00 0.00 37.83 35.04 1oau s LYS 13 CO -0.02 -0.14 1.45 -2.14 -0.92 0.00 0.00 175.35 173.58 1oau s PRO 14 N -3.51 4.16 0.00 -1.68 0.02 -1.26 -2.10 135.00 130.62 1oau s PRO 14 Ca 0.61 2.50 0.00 0.00 0.02 0.00 0.00 61.00 64.13 1oau s PRO 14 Cb -0.10 -2.99 0.00 0.00 0.02 0.00 0.00 34.50 31.43 1oau s PRO 14 CO 0.20 -0.47 0.00 0.41 -0.33 0.00 0.00 177.00 176.81 1oau n GLY 15 N 0.59 2.33 2.07 0.52 0.00 0.16 -4.92 105.19 105.94 1oau n GLY 15 Ca 0.01 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.89 1oau n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1oau n ALA 16 N -1.17 -0.46 -2.42 4.61 0.00 -0.89 -4.27 120.51 115.90 1oau n ALA 16 Ca 0.00 -0.98 -0.21 0.00 0.00 0.00 0.00 53.44 52.25 1oau n ALA 16 Cb 0.00 0.04 -0.10 0.00 0.00 0.00 0.00 19.45 19.39 1oau n ALA 16 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1oau s SER 17 N -3.44 2.84 -0.10 0.00 0.01 -1.26 -1.45 113.70 110.30 1oau s SER 17 Ca 0.38 -1.15 -0.17 0.00 1.31 0.00 0.00 55.95 56.32 1oau s SER 17 Cb -0.01 -0.18 0.04 0.00 0.21 0.00 0.00 66.02 66.07 1oau s SER 17 CO 0.26 -0.28 0.42 0.54 0.41 0.00 0.00 173.24 174.59 1oau s VAL 18 N -2.95 0.02 -0.22 3.43 0.11 -0.30 -4.99 120.40 115.50 1oau s VAL 18 Ca 0.29 -0.16 -0.01 0.00 -2.93 0.00 0.00 61.98 59.16 1oau s VAL 18 Cb 0.02 -0.65 0.02 0.00 -1.53 0.00 0.00 36.38 34.24 1oau s VAL 18 CO 0.11 -0.09 -0.11 -0.75 -3.33 0.00 0.00 175.10 170.94 1oau s LYS 19 N -0.46 2.96 0.04 1.54 2.20 -1.26 -0.59 119.74 124.17 1oau s LYS 19 Ca -0.06 -0.88 -0.01 0.00 -0.36 0.00 0.00 55.97 54.66 1oau s LYS 19 Cb -0.03 -2.85 -0.04 0.00 -1.51 0.00 0.00 37.83 33.40 1oau s LYS 19 CO 0.03 -0.31 0.21 -0.51 -0.36 0.00 0.00 175.35 174.41 1oau s LEU 20 N 1.33 4.36 0.23 5.43 1.43 0.13 -4.94 118.68 126.65 1oau s LEU 20 Ca 0.02 0.31 0.11 0.00 -1.03 0.00 0.00 54.13 53.54 1oau s LEU 20 Cb -0.15 -2.86 -0.05 0.00 0.03 0.00 0.00 46.19 43.16 1oau s LEU 20 CO -0.07 0.20 -0.20 -0.94 0.23 0.00 0.00 176.35 175.56 1oau s SER 21 N -2.31 3.31 -0.33 2.29 1.04 -1.26 -1.07 113.70 115.36 1oau s SER 21 Ca 0.33 -0.96 0.00 0.00 0.48 0.00 0.00 55.95 55.80 1oau s SER 21 Cb -0.13 -0.25 0.14 0.00 0.10 0.00 0.00 66.02 65.88 1oau s SER 21 CO 0.25 0.03 0.27 0.00 0.98 0.00 0.00 173.24 174.76 1oau s LYS 23 N 1.61 3.92 0.16 0.00 2.20 0.08 -1.41 119.74 126.30 1oau s LYS 23 Ca 0.14 0.68 -0.07 0.00 -0.36 0.00 0.00 55.97 56.36 1oau s LYS 23 Cb -0.18 -3.77 -0.06 0.00 -1.51 0.00 0.00 37.83 32.32 1oau s LYS 23 CO -0.13 -0.86 0.43 0.00 -0.36 0.00 0.00 175.35 174.43 1oau s ALA 24 N 3.35 3.71 -0.04 3.13 0.00 0.39 -1.00 121.76 131.31 1oau s ALA 24 Ca 0.38 -0.44 -0.30 0.00 0.00 0.00 0.00 51.96 51.60 1oau s ALA 24 Cb -0.13 -2.25 0.07 0.00 0.00 0.00 0.00 23.12 20.81 1oau s ALA 24 CO 0.16 0.60 0.68 -1.54 0.00 0.00 0.00 175.76 175.66 1oau s SER 25 N -2.28 -0.65 0.00 0.00 1.04 -0.48 -4.81 113.70 106.52 1oau s SER 25 Ca 0.41 0.66 0.00 0.00 0.48 0.00 0.00 55.95 57.50 1oau s SER 25 Cb -0.12 0.54 0.00 0.00 0.10 0.00 0.00 66.02 66.54 1oau s SER 25 CO 0.22 -0.63 0.00 0.61 0.98 0.00 0.00 173.24 174.42 1oau n GLY 26 N 0.80 0.81 3.82 7.32 0.00 -1.26 -0.66 105.19 116.03 1oau n GLY 26 Ca -0.19 -0.11 -0.05 0.00 0.00 0.00 0.00 46.02 45.67 1oau n GLY 26 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1oau s TYR 27 N -2.00 -0.04 -0.75 1.61 1.13 -1.26 -4.46 117.35 111.58 1oau s TYR 27 Ca 0.00 -0.39 -0.26 0.00 -1.41 0.00 0.00 57.07 55.00 1oau s TYR 27 Cb 0.00 0.71 0.02 0.00 -1.10 0.00 0.00 41.96 41.59 1oau s TYR 27 CO 0.00 -1.08 1.45 0.99 -2.51 0.00 0.00 175.55 174.40 1oau s THR 28 N -2.93 3.65 0.26 -3.49 2.01 -1.26 -4.90 115.64 108.99 1oau s THR 28 Ca 0.15 0.20 -0.10 0.00 0.31 0.00 0.00 61.69 62.25 1oau s THR 28 Cb -0.03 -4.69 0.39 0.00 0.01 0.00 0.00 72.50 68.18 1oau s THR 28 CO 0.06 -1.63 1.57 0.15 -0.69 0.00 0.00 174.62 174.08 1oau h PHE 29 N 11.12 -0.59 0.00 4.92 3.57 -1.96 0.45 116.94 134.46 1oau h PHE 29 Ca -0.21 0.09 0.00 0.00 3.53 0.00 0.00 57.97 61.38 1oau h PHE 29 Cb 1.07 0.40 0.00 0.00 2.79 0.00 0.00 35.95 40.21 1oau h PHE 29 CO 1.13 -0.40 0.00 0.25 -2.23 0.00 0.00 178.31 177.06 1oau n THR 30 N -5.58 0.41 0.85 4.41 -2.24 -1.26 -3.33 114.28 107.54 1oau n THR 30 Ca 0.14 0.10 0.13 0.00 -2.27 0.00 0.00 64.05 62.14 1oau n THR 30 Cb 0.46 -0.78 0.33 0.00 -2.10 0.00 0.00 70.33 68.24 1oau n THR 30 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1oau n SER 31 N -1.29 0.47 -4.14 3.42 7.64 0.15 -4.41 113.62 115.47 1oau n SER 31 Ca 0.09 0.09 -0.20 0.00 1.01 0.00 0.00 58.87 59.86 1oau n SER 31 Cb 0.16 -0.03 -0.14 0.00 -1.01 0.00 0.00 64.21 63.19 1oau n SER 31 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1oau s TYR 32 N -3.05 1.23 0.94 1.43 1.51 -1.21 -4.74 117.35 113.45 1oau s TYR 32 Ca 0.10 -0.33 -0.12 0.00 -1.01 0.00 0.00 57.07 55.72 1oau s TYR 32 Cb 0.16 -0.74 0.15 0.00 -0.11 0.00 0.00 41.96 41.42 1oau s TYR 32 CO 0.66 0.02 1.10 -1.58 -1.11 0.00 0.00 175.55 174.64 1oau s TRP 33 N -0.74 2.26 -0.12 2.71 0.51 -0.60 -4.47 118.94 118.49 1oau s TRP 33 Ca 0.02 1.10 -0.01 0.00 -2.12 0.00 0.00 56.10 55.10 1oau s TRP 33 Cb -0.07 -3.22 0.03 0.00 -0.81 0.00 0.00 33.47 29.40 1oau s TRP 33 CO 0.01 -2.58 -0.04 1.41 -0.51 0.00 0.00 176.95 175.24 1oau s MET 34 N -4.98 1.17 0.31 4.98 1.75 -0.26 -1.57 119.30 120.69 1oau s MET 34 Ca 0.64 -0.25 -0.01 0.00 -1.25 0.00 0.00 55.69 54.83 1oau s MET 34 Cb -0.18 -1.59 -0.04 0.00 2.84 0.00 0.00 34.83 35.86 1oau s MET 34 CO 0.57 -0.36 0.52 -1.01 -0.65 0.00 0.00 175.02 174.09 1oau s HIS 35 N 1.77 3.49 -0.06 4.11 3.76 0.11 -0.84 115.29 127.64 1oau s HIS 35 Ca 0.03 0.40 0.04 0.00 -0.15 0.00 0.00 55.06 55.38 1oau s HIS 35 Cb -0.14 -1.92 0.00 0.00 1.11 0.00 0.00 32.58 31.63 1oau s HIS 35 CO -0.07 0.18 -0.16 -1.58 -0.85 0.00 0.00 174.74 172.25 1oau s TRP 36 N -2.19 1.75 0.01 1.40 0.52 0.15 -1.28 118.94 119.30 1oau s TRP 36 Ca 0.40 -0.59 0.04 0.00 0.02 0.00 0.00 56.10 55.98 1oau s TRP 36 Cb -0.10 -1.20 -0.01 0.00 -1.15 0.00 0.00 33.47 31.00 1oau s TRP 36 CO 0.34 -0.24 -0.12 0.08 0.02 0.00 0.00 176.95 177.03 1oau s VAL 37 N 0.29 0.94 -0.16 4.03 1.01 -0.19 -1.35 120.40 124.97 1oau s VAL 37 Ca -0.10 -0.71 -0.03 0.00 0.00 0.00 0.00 61.98 61.14 1oau s VAL 37 Cb -0.14 -0.83 -0.02 0.00 0.00 0.00 0.00 36.38 35.39 1oau s VAL 37 CO 0.04 0.12 -0.06 -0.75 0.00 0.00 0.00 175.10 174.44 1oau s LYS 38 N -0.68 3.54 -0.17 2.72 2.20 0.79 -1.06 119.74 127.10 1oau s LYS 38 Ca 0.02 -0.58 0.01 0.00 -0.36 0.00 0.00 55.97 55.07 1oau s LYS 38 Cb -0.06 -2.86 0.01 0.00 -1.51 0.00 0.00 37.83 33.41 1oau s LYS 38 CO 0.00 0.15 -0.20 -1.14 -0.36 0.00 0.00 175.35 173.80 1oau s GLN 39 N 0.58 3.02 -0.00 4.03 0.74 0.23 -0.39 119.66 127.87 1oau s GLN 39 Ca -0.04 -0.83 0.05 0.00 0.05 0.00 0.00 55.36 54.59 1oau s GLN 39 Cb -0.15 -2.54 -0.01 0.00 1.10 0.00 0.00 33.01 31.41 1oau s GLN 39 CO 0.03 -0.14 -0.15 1.03 -0.55 0.00 0.00 175.29 175.51 1oau s ARG 40 N 1.12 1.21 0.19 1.67 0.52 -1.25 -1.30 118.95 121.11 1oau s ARG 40 Ca 0.01 -0.59 -0.33 0.00 -0.52 0.00 0.00 55.73 54.30 1oau s ARG 40 Cb -0.14 -1.19 -0.15 0.00 0.52 0.00 0.00 34.95 34.00 1oau s ARG 40 CO -0.08 0.32 1.35 -2.30 0.02 0.00 0.00 175.30 174.60 1oau n PRO 41 N 2.58 1.68 -0.85 3.54 -0.02 -1.26 -0.75 135.00 139.92 1oau n PRO 41 Ca -0.15 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 1oau n PRO 41 Cb 0.55 -2.22 0.00 0.00 -0.02 0.00 0.00 33.50 31.81 1oau n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1oau n GLY 42 N 2.32 0.69 0.36 -1.23 0.00 -1.26 -4.80 105.19 101.26 1oau n GLY 42 Ca 0.14 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.24 1oau n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1oau n ARG 43 N -2.00 1.30 0.00 1.61 1.74 0.07 -5.08 116.66 114.31 1oau n ARG 43 Ca 0.00 -2.78 0.00 0.00 -0.77 0.00 0.00 57.85 54.30 1oau n ARG 43 Cb 0.00 -1.45 0.00 0.00 -1.02 0.00 0.00 32.46 29.99 1oau n ARG 43 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1oau n GLY 44 N -1.18 2.57 3.29 -0.13 0.00 -1.23 -4.50 105.19 104.00 1oau n GLY 44 Ca 0.16 0.27 -0.26 0.00 0.00 0.00 0.00 46.02 46.19 1oau n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1oau s LEU 45 N 0.00 2.23 -0.07 0.99 1.43 -1.26 -3.89 118.68 118.11 1oau s LEU 45 Ca 0.00 -0.61 -0.01 0.00 -1.03 0.00 0.00 54.13 52.48 1oau s LEU 45 Cb 0.00 -0.99 0.03 0.00 0.03 0.00 0.00 46.19 45.26 1oau s LEU 45 CO 0.00 0.13 -0.02 -0.70 0.23 0.00 0.00 176.35 175.99 1oau s GLU 46 N -1.55 0.75 0.14 1.70 2.12 0.48 -4.95 118.70 117.38 1oau s GLU 46 Ca 0.08 0.02 -0.31 0.00 0.36 0.00 0.00 54.97 55.12 1oau s GLU 46 Cb -0.09 -1.00 -0.08 0.00 0.26 0.00 0.00 34.13 33.22 1oau s GLU 46 CO 0.03 -0.24 1.31 -0.46 -0.54 0.00 0.00 175.26 175.36 1oau s TRP 47 N 1.68 3.30 -0.25 5.30 -0.00 -1.26 -0.15 118.94 127.56 1oau s TRP 47 Ca 0.01 1.14 -0.15 0.00 -0.00 0.00 0.00 56.10 57.10 1oau s TRP 47 Cb -0.13 -3.59 -0.15 0.00 -0.00 0.00 0.00 33.47 29.61 1oau s TRP 47 CO -0.04 -1.93 -0.17 -0.89 -0.00 0.00 0.00 176.95 173.92 1oau n ILE 48 N 3.41 1.54 -1.82 5.86 5.41 -0.46 -4.62 119.36 128.68 1oau n ILE 48 Ca 0.09 -0.31 0.00 0.00 1.00 0.00 0.00 62.75 63.53 1oau n ILE 48 Cb 0.43 -1.89 0.00 0.00 -0.71 0.00 0.00 39.64 37.47 1oau n ILE 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1oau n GLY 49 N 1.39 -2.07 3.07 7.39 0.00 -1.20 -0.72 105.19 113.04 1oau n GLY 49 Ca -0.47 -1.23 -0.08 0.00 0.00 0.00 0.00 46.02 44.24 1oau n GLY 49 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1oau s ARG 50 N -1.87 0.53 -0.01 1.61 1.70 -0.05 -0.68 118.95 120.19 1oau s ARG 50 Ca 0.00 -0.96 0.05 0.00 -0.47 0.00 0.00 55.73 54.35 1oau s ARG 50 Cb 0.00 0.19 -0.01 0.00 -0.57 0.00 0.00 34.95 34.56 1oau s ARG 50 CO 0.00 -0.10 -0.15 -1.50 -1.08 0.00 0.00 175.30 172.47 1oau s ILE 51 N -2.98 1.16 -0.48 4.99 2.07 -0.02 -1.57 121.20 124.36 1oau s ILE 51 Ca -0.02 -0.67 -0.19 0.00 -1.41 0.00 0.00 60.65 58.37 1oau s ILE 51 Cb 0.01 -0.97 0.05 0.00 0.13 0.00 0.00 42.46 41.68 1oau s ILE 51 CO -0.07 0.29 0.57 -0.62 -1.91 0.00 0.00 174.94 173.21 1oau s ASP 52 N -0.43 6.22 0.29 4.50 -1.08 0.91 -1.11 116.67 125.97 1oau s ASP 52 Ca 0.05 -0.86 0.18 0.00 -0.52 0.00 0.00 52.55 51.41 1oau s ASP 52 Cb -0.06 -2.27 1.00 0.00 -1.46 0.00 0.00 42.92 40.13 1oau s ASP 52 CO -0.00 -0.81 1.54 -2.65 0.52 0.00 0.00 175.17 173.77 1oau n PRO 53 N 5.99 0.12 -3.01 4.34 -0.02 -1.26 0.34 135.00 141.49 1oau n PRO 53 Ca -0.07 0.61 -0.44 0.00 -2.02 0.00 0.00 63.50 61.58 1oau n PRO 53 Cb 0.46 -1.94 -0.02 0.00 -0.02 0.00 0.00 33.50 31.98 1oau n PRO 53 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1oau s ASN 54 N -3.83 6.82 0.00 2.55 2.47 -1.26 -3.98 114.94 117.70 1oau s ASN 54 Ca -0.02 -2.49 0.00 0.00 0.42 0.00 0.00 52.86 50.77 1oau s ASN 54 Cb 0.05 -2.36 0.00 0.00 -1.45 0.00 0.00 41.25 37.49 1oau s ASN 54 CO 0.17 -0.86 0.00 0.61 -3.72 0.00 0.00 177.10 173.30 1oau n GLY 55 N 4.73 3.06 2.14 1.21 0.00 -1.24 -4.55 105.19 110.54 1oau n GLY 55 Ca 0.26 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.23 1oau n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1oau n GLY 56 N -1.33 0.65 3.74 -0.02 0.00 0.15 -4.98 105.19 103.40 1oau n GLY 56 Ca 0.00 -0.78 -0.42 0.00 0.00 0.00 0.00 46.02 44.82 1oau n GLY 56 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1oau s GLY 57 N -2.90 2.15 0.20 -0.02 0.00 -1.09 -4.66 107.32 100.98 1oau s GLY 57 Ca 0.00 1.31 0.11 0.00 0.00 0.00 0.00 44.72 46.14 1oau s GLY 57 CO 0.00 2.35 -0.19 -0.51 0.00 0.00 0.00 173.10 174.75 1oau s THR 58 N 0.31 2.61 -0.05 0.90 -4.23 -1.26 -0.06 115.64 113.86 1oau s THR 58 Ca 0.62 -1.96 -0.01 0.00 -1.18 0.00 0.00 61.69 59.16 1oau s THR 58 Cb -0.42 -2.28 0.03 0.00 1.34 0.00 0.00 72.50 71.17 1oau s THR 58 CO 0.40 -0.14 0.03 -0.54 -0.54 0.00 0.00 174.62 173.82 1oau s LYS 59 N -2.80 0.21 0.27 3.99 1.02 -0.61 -5.01 119.74 116.81 1oau s LYS 59 Ca 0.23 0.23 0.10 0.00 0.02 0.00 0.00 55.97 56.54 1oau s LYS 59 Cb -0.08 -0.63 -0.04 0.00 -0.52 0.00 0.00 37.83 36.55 1oau s LYS 59 CO 0.12 -0.27 -0.01 0.71 -0.92 0.00 0.00 175.35 174.97 1oau s TYR 60 N 1.82 2.67 -0.12 3.18 1.51 -1.26 -0.87 117.35 124.28 1oau s TYR 60 Ca 0.01 -0.24 -0.30 0.00 -1.01 0.00 0.00 57.07 55.54 1oau s TYR 60 Cb -0.12 -1.20 -0.02 0.00 -0.11 0.00 0.00 41.96 40.51 1oau s TYR 60 CO -0.03 0.62 1.18 1.21 -1.11 0.00 0.00 175.55 177.42 1oau s ASN 61 N -3.67 7.04 0.61 2.29 3.84 0.10 -4.89 114.94 120.26 1oau s ASN 61 Ca 0.32 1.69 0.29 0.00 0.21 0.00 0.00 52.86 55.36 1oau s ASN 61 Cb -0.06 -2.55 1.49 0.00 -0.55 0.00 0.00 41.25 39.58 1oau s ASN 61 CO 0.20 -0.64 1.89 1.05 -2.79 0.00 0.00 177.10 176.80 1oau h GLU 62 N 7.68 0.00 0.00 0.43 4.11 -1.95 0.27 114.58 125.12 1oau h GLU 62 Ca -0.29 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.08 1oau h GLU 62 Cb 1.13 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.37 1oau h GLU 62 CO 0.92 0.00 -0.25 -0.22 0.07 0.00 0.00 179.01 179.53 1oau h LYS 63 N 0.00 0.00 -0.24 1.06 3.64 -1.94 -3.01 116.57 116.07 1oau h LYS 63 Ca 0.16 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 1oau h LYS 63 Cb 1.06 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.88 1oau h LYS 63 CO -0.00 0.25 0.00 1.19 -2.27 0.00 0.00 179.45 178.62 1oau n PHE 64 N -3.77 0.31 -0.19 1.91 3.72 0.90 -4.67 117.46 115.67 1oau n PHE 64 Ca -0.01 -0.23 -0.09 0.00 -0.05 0.00 0.00 57.45 57.06 1oau n PHE 64 Cb 0.35 -0.01 -0.05 0.00 -0.94 0.00 0.00 39.48 38.84 1oau n PHE 64 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 1oau h LYS 65 N 3.06 -0.25 -0.07 -1.08 1.57 -1.34 -0.10 116.57 118.36 1oau h LYS 65 Ca 0.00 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1oau h LYS 65 Cb 0.75 0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.11 1oau h LYS 65 CO 0.00 -0.17 0.00 0.43 -0.57 0.00 0.00 179.45 179.14 1oau n SER 66 N -5.40 1.03 -0.11 0.86 7.64 -1.26 -4.21 113.62 112.17 1oau n SER 66 Ca 0.01 -1.49 -0.21 0.00 1.01 0.00 0.00 58.87 58.19 1oau n SER 66 Cb 0.35 -0.04 -0.08 0.00 -1.01 0.00 0.00 64.21 63.42 1oau n SER 66 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1oau n LYS 67 N -0.14 0.48 -4.24 1.43 3.00 -0.43 -4.84 118.16 113.41 1oau n LYS 67 Ca 0.18 0.18 -0.32 0.00 -0.00 0.00 0.00 58.31 58.35 1oau n LYS 67 Cb 0.25 -1.32 -0.09 0.00 0.00 0.00 0.00 35.03 33.88 1oau n LYS 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1oau s ALA 68 N -2.41 3.29 -0.17 3.14 0.00 -0.18 -1.76 121.76 123.68 1oau s ALA 68 Ca -0.30 -0.99 -0.00 0.00 0.00 0.00 0.00 51.96 50.66 1oau s ALA 68 Cb 0.11 -1.31 0.04 0.00 0.00 0.00 0.00 23.12 21.96 1oau s ALA 68 CO 0.41 0.66 -0.06 0.99 0.00 0.00 0.00 175.76 177.77 1oau s THR 69 N -1.15 1.16 -0.13 0.00 2.01 -0.40 -4.81 115.64 112.32 1oau s THR 69 Ca 0.21 -0.65 -0.11 0.00 0.31 0.00 0.00 61.69 61.45 1oau s THR 69 Cb -0.12 -1.32 -0.05 0.00 0.01 0.00 0.00 72.50 71.03 1oau s THR 69 CO 0.13 0.14 0.22 -0.76 -0.69 0.00 0.00 174.62 173.66 1oau s LEU 70 N 1.61 4.32 0.22 4.42 1.43 -1.26 -1.11 118.68 128.31 1oau s LEU 70 Ca 0.01 0.50 -0.03 0.00 -1.03 0.00 0.00 54.13 53.58 1oau s LEU 70 Cb -0.15 -2.24 -0.03 0.00 0.03 0.00 0.00 46.19 43.80 1oau s LEU 70 CO -0.08 0.26 0.22 0.42 0.23 0.00 0.00 176.35 177.40 1oau s THR 71 N -0.30 0.00 0.06 5.49 -4.23 -0.65 -4.98 115.64 111.03 1oau s THR 71 Ca 0.15 -1.86 -0.03 0.00 -1.18 0.00 0.00 61.69 58.77 1oau s THR 71 Cb -0.13 -2.44 -0.03 0.00 1.34 0.00 0.00 72.50 71.25 1oau s THR 71 CO 0.04 0.00 0.04 0.68 -0.54 0.00 0.00 174.62 174.84 1oau s VAL 72 N -4.07 0.19 -0.33 2.29 -7.23 -1.26 -0.05 120.40 109.94 1oau s VAL 72 Ca 0.35 -1.57 0.01 0.00 -1.81 0.00 0.00 61.98 58.96 1oau s VAL 72 Cb 0.05 -1.40 0.10 0.00 0.56 0.00 0.00 36.38 35.69 1oau s VAL 72 CO 0.12 -0.87 0.09 -0.62 -0.31 0.00 0.00 175.10 173.51 1oau s ASP 73 N -2.82 4.28 0.20 4.85 2.15 0.37 -4.97 116.67 120.73 1oau s ASP 73 Ca 0.05 -1.89 -0.13 0.00 0.43 0.00 0.00 52.55 51.01 1oau s ASP 73 Cb 0.06 -1.15 0.24 0.00 -0.30 0.00 0.00 42.92 41.76 1oau s ASP 73 CO -0.10 -0.39 1.65 0.11 -0.17 0.00 0.00 175.17 176.27 1oau h LYS 74 N 7.83 0.05 -0.97 4.34 1.57 -1.91 -1.53 116.57 125.96 1oau h LYS 74 Ca -0.10 -0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.75 1oau h LYS 74 Cb 1.01 -0.01 -0.07 0.00 0.08 0.00 0.00 32.23 33.24 1oau h LYS 74 CO 0.49 0.03 0.63 -1.35 -0.57 0.00 0.00 179.45 178.68 1oau h PRO 75 N 0.05 1.08 -0.28 3.15 0.11 -1.96 -1.86 132.00 132.30 1oau h PRO 75 Ca 0.29 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 66.33 1oau h PRO 75 Cb 0.46 -0.24 0.00 0.00 0.11 0.00 0.00 31.00 31.32 1oau h PRO 75 CO -0.55 0.72 0.00 -1.13 -0.21 0.00 0.00 178.00 176.83 1oau n SER 76 N -4.50 2.74 -4.05 -2.05 3.41 -1.04 -4.95 113.62 103.18 1oau n SER 76 Ca 0.15 -1.89 -0.31 0.00 -0.26 0.00 0.00 58.87 56.56 1oau n SER 76 Cb 0.20 -0.18 -0.01 0.00 -0.26 0.00 0.00 64.21 63.96 1oau n SER 76 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1oau n SER 77 N 1.03 -2.58 -4.22 4.04 7.64 -0.61 -4.71 113.62 114.21 1oau n SER 77 Ca 0.18 -0.95 -0.30 0.00 1.01 0.00 0.00 58.87 58.80 1oau n SER 77 Cb 0.50 -3.14 -0.16 0.00 -1.01 0.00 0.00 64.21 60.40 1oau n SER 77 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1oau s THR 78 N -3.52 1.86 -0.08 0.44 2.01 -1.02 -0.46 115.64 114.87 1oau s THR 78 Ca 0.46 -0.95 -0.02 0.00 0.31 0.00 0.00 61.69 61.49 1oau s THR 78 Cb -0.25 -1.59 -0.03 0.00 0.01 0.00 0.00 72.50 70.64 1oau s THR 78 CO 0.89 0.52 0.00 0.00 -0.69 0.00 0.00 174.62 175.34 1oau s ALA 79 N -0.05 3.29 0.17 7.40 0.00 -0.50 -0.48 121.76 131.59 1oau s ALA 79 Ca -0.05 -0.81 0.10 0.00 0.00 0.00 0.00 51.96 51.19 1oau s ALA 79 Cb -0.14 -1.47 -0.04 0.00 0.00 0.00 0.00 23.12 21.47 1oau s ALA 79 CO 0.04 0.59 -0.21 0.71 0.00 0.00 0.00 175.76 176.89 1oau s TYR 80 N -0.90 2.04 -0.05 0.00 2.02 0.93 -0.37 117.35 121.02 1oau s TYR 80 Ca 0.14 -0.41 -0.02 0.00 -0.37 0.00 0.00 57.07 56.41 1oau s TYR 80 Cb -0.11 -1.03 0.03 0.00 -0.40 0.00 0.00 41.96 40.45 1oau s TYR 80 CO 0.03 0.38 0.04 1.41 -1.57 0.00 0.00 175.55 175.84 1oau s MET 81 N -2.58 0.20 -0.15 -0.62 -2.45 -0.23 -1.64 119.30 111.83 1oau s MET 81 Ca 0.16 0.27 -0.08 0.00 -1.25 0.00 0.00 55.69 54.79 1oau s MET 81 Cb -0.07 -0.71 -0.04 0.00 1.25 0.00 0.00 34.83 35.26 1oau s MET 81 CO 0.08 -0.32 0.13 -1.14 1.05 0.00 0.00 175.02 174.82 1oau s GLN 82 N 2.09 3.75 -0.14 4.11 0.74 -0.27 -0.69 119.66 129.25 1oau s GLN 82 Ca 0.05 -0.18 0.02 0.00 0.05 0.00 0.00 55.36 55.30 1oau s GLN 82 Cb -0.12 -3.28 0.00 0.00 1.10 0.00 0.00 33.01 30.71 1oau s GLN 82 CO -0.04 0.57 -0.19 -0.51 -0.55 0.00 0.00 175.29 174.58 1oau s LEU 83 N -0.44 2.31 0.36 3.68 1.43 0.25 -1.28 118.68 124.99 1oau s LEU 83 Ca 0.12 -0.52 0.08 0.00 -1.03 0.00 0.00 54.13 52.78 1oau s LEU 83 Cb -0.12 -1.50 -0.05 0.00 0.03 0.00 0.00 46.19 44.55 1oau s LEU 83 CO 0.01 0.10 0.09 -0.94 0.23 0.00 0.00 176.35 175.84 1oau s SER 84 N 0.71 4.38 -1.39 2.29 1.04 -0.72 -1.14 113.70 118.86 1oau s SER 84 Ca -0.08 -0.95 -0.00 0.00 0.48 0.00 0.00 55.95 55.39 1oau s SER 84 Cb -0.16 -0.58 -0.00 0.00 0.10 0.00 0.00 66.02 65.38 1oau s SER 84 CO 0.01 -0.32 0.46 -1.20 0.98 0.00 0.00 173.24 173.17 1oau n SER 85 N -1.07 -0.44 -4.74 7.02 7.64 -1.05 -4.83 113.62 116.14 1oau n SER 85 Ca -0.03 -0.98 -0.42 0.00 1.01 0.00 0.00 58.87 58.45 1oau n SER 85 Cb 0.63 -3.20 -0.01 0.00 -1.01 0.00 0.00 64.21 60.62 1oau n SER 85 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1oau n LEU 86 N -4.38 4.24 -4.35 -3.43 4.77 -0.53 -4.64 117.00 108.67 1oau n LEU 86 Ca -0.31 1.19 -0.19 0.00 -0.03 0.00 0.00 56.01 56.67 1oau n LEU 86 Cb 0.69 -1.57 -0.10 0.00 -2.33 0.00 0.00 43.42 40.11 1oau n LEU 86 CO 0.74 -0.03 -0.22 0.42 -1.33 0.00 0.00 177.39 176.96 1oau s THR 87 N -0.65 0.51 0.65 -5.08 -4.23 -1.26 0.37 115.64 105.94 1oau s THR 87 Ca 0.59 -2.00 0.40 0.00 -1.18 0.00 0.00 61.69 59.50 1oau s THR 87 Cb -0.52 -2.57 0.41 0.00 1.34 0.00 0.00 72.50 71.17 1oau s THR 87 CO 0.57 0.00 2.29 0.77 -0.54 0.00 0.00 174.62 177.72 1oau h SER 88 N 2.23 0.00 0.74 3.99 4.64 -1.97 0.61 113.55 123.79 1oau h SER 88 Ca -0.36 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.95 1oau h SER 88 Cb 1.25 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1oau h SER 88 CO 0.57 0.00 -0.06 -0.33 -0.87 0.00 0.00 176.83 176.14 1oau h GLU 89 N 0.00 0.00 0.00 4.77 4.39 -1.95 -2.41 114.58 119.38 1oau h GLU 89 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1oau h GLU 89 Cb 0.11 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.76 1oau h GLU 89 CO -0.00 0.06 -0.27 -0.25 -1.16 0.00 0.00 179.01 177.38 1oau n ASP 90 N -3.23 0.36 -4.64 1.42 8.00 0.21 -4.81 116.55 113.86 1oau n ASP 90 Ca -0.00 0.17 -0.42 0.00 0.71 0.00 0.00 54.79 55.24 1oau n ASP 90 Cb 0.28 -0.16 -0.03 0.00 -0.02 0.00 0.00 41.12 41.19 1oau n ASP 90 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1oau s SER 91 N -3.31 6.34 0.06 -2.24 0.01 -0.91 -4.88 113.70 108.76 1oau s SER 91 Ca 0.11 2.10 -0.22 0.00 1.31 0.00 0.00 55.95 59.25 1oau s SER 91 Cb 0.17 -2.53 0.08 0.00 0.21 0.00 0.00 66.02 63.95 1oau s SER 91 CO 0.63 -1.22 1.03 0.00 0.41 0.00 0.00 173.24 174.09 1oau n ALA 92 N 8.35 -2.84 -2.80 1.44 0.00 -0.65 -4.90 120.51 119.11 1oau n ALA 92 Ca 0.20 -0.79 -0.35 0.00 0.00 0.00 0.00 53.44 52.50 1oau n ALA 92 Cb 0.43 0.29 -0.09 0.00 0.00 0.00 0.00 19.45 20.08 1oau n ALA 92 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1oau s VAL 93 N -2.07 4.95 -0.07 0.00 1.01 -0.42 -0.19 120.40 123.62 1oau s VAL 93 Ca 0.24 0.02 0.03 0.00 0.00 0.00 0.00 61.98 62.27 1oau s VAL 93 Cb -0.01 -3.20 -0.02 0.00 0.00 0.00 0.00 36.38 33.14 1oau s VAL 93 CO 0.02 0.50 -0.15 -0.31 0.00 0.00 0.00 175.10 175.16 1oau s TYR 94 N -0.04 2.70 0.17 5.22 2.02 0.34 -0.60 117.35 127.16 1oau s TYR 94 Ca 0.07 -0.30 0.10 0.00 -0.37 0.00 0.00 57.07 56.57 1oau s TYR 94 Cb -0.12 -1.67 -0.04 0.00 -0.40 0.00 0.00 41.96 39.73 1oau s TYR 94 CO 0.01 0.08 -0.21 0.71 -1.57 0.00 0.00 175.55 174.56 1oau s TYR 95 N -0.47 2.04 0.04 2.71 2.02 -0.22 -0.57 117.35 122.89 1oau s TYR 95 Ca 0.06 -0.41 0.05 0.00 -0.37 0.00 0.00 57.07 56.39 1oau s TYR 95 Cb -0.12 -1.03 -0.04 0.00 -0.40 0.00 0.00 41.96 40.38 1oau s TYR 95 CO 0.02 0.39 -0.08 0.00 -1.57 0.00 0.00 175.55 174.30 1oau s ALA 97 N -1.05 -0.75 0.51 0.00 0.00 -0.40 -0.27 121.76 119.80 1oau s ALA 97 Ca 0.18 1.17 -0.15 0.00 0.00 0.00 0.00 51.96 53.17 1oau s ALA 97 Cb -0.11 -0.87 -0.07 0.00 0.00 0.00 0.00 23.12 22.07 1oau s ALA 97 CO 0.09 -0.38 0.96 -0.98 0.00 0.00 0.00 175.76 175.45 1oau s ARG 98 N 1.71 3.87 -0.04 0.00 1.70 -1.01 0.08 118.95 125.26 1oau s ARG 98 Ca -0.06 0.85 -0.02 0.00 -0.47 0.00 0.00 55.73 56.03 1oau s ARG 98 Cb -0.10 -2.17 0.03 0.00 -0.57 0.00 0.00 34.95 32.14 1oau s ARG 98 CO -0.10 -0.28 0.09 1.41 -1.08 0.00 0.00 175.30 175.34 1oau s MET 99 N -4.21 0.03 0.11 3.89 1.75 -0.61 -3.47 119.30 116.80 1oau s MET 99 Ca 0.57 0.27 -0.26 0.00 -1.25 0.00 0.00 55.69 55.02 1oau s MET 99 Cb -0.10 -0.19 -0.07 0.00 2.84 0.00 0.00 34.83 37.31 1oau s MET 99 CO 0.35 -0.15 0.81 -0.46 -0.65 0.00 0.00 175.02 174.92 1oau s TRP 100 N 1.03 3.83 0.00 4.11 -0.11 -0.68 -1.56 118.94 125.56 1oau s TRP 100 Ca -0.08 1.62 0.00 0.00 1.22 0.00 0.00 56.10 58.85 1oau s TRP 100 Cb -0.11 -2.85 0.00 0.00 -1.50 0.00 0.00 33.47 29.01 1oau s TRP 100 CO -0.04 0.36 0.19 2.48 -4.62 0.00 0.00 176.95 175.32 1oau n TYR 101 N 2.28 0.00 -2.77 5.86 0.18 -1.18 -2.09 117.16 119.44 1oau n TYR 101 Ca -0.03 -0.01 -0.43 0.00 1.88 0.00 0.00 57.90 59.31 1oau n TYR 101 Cb 0.49 -0.00 -0.03 0.00 -0.38 0.00 0.00 39.34 39.42 1oau n TYR 101 CO 0.00 0.00 0.00 -0.47 -2.08 0.00 0.00 176.86 174.31 1oau s TYR 102 N -0.03 2.85 0.00 -3.48 5.04 -1.26 -3.97 117.35 116.50 1oau s TYR 102 Ca 0.00 -1.12 0.00 0.00 -2.44 0.00 0.00 57.07 53.51 1oau s TYR 102 Cb 0.00 -4.46 0.00 0.00 0.35 0.00 0.00 41.96 37.85 1oau s TYR 102 CO 0.00 -1.69 0.00 0.41 -1.34 0.00 0.00 175.55 172.93 1oau n GLY 103 N 6.05 3.18 3.82 8.97 0.00 -1.26 -4.97 105.19 120.98 1oau n GLY 103 Ca 0.26 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.23 1oau n GLY 103 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1oau s THR 104 N -2.95 0.00 0.11 2.61 -1.32 -1.25 -5.18 115.64 107.65 1oau s THR 104 Ca 0.00 -0.83 0.08 0.00 -1.21 0.00 0.00 61.69 59.74 1oau s THR 104 Cb 0.00 -2.28 -0.04 0.00 -1.51 0.00 0.00 72.50 68.67 1oau s THR 104 CO 0.00 0.00 -0.21 -0.31 -2.21 0.00 0.00 174.62 171.89 1oau s TYR 105 N -3.16 1.82 -0.30 9.09 1.51 -1.25 -3.09 117.35 121.97 1oau s TYR 105 Ca 0.14 -0.42 -0.25 0.00 -1.01 0.00 0.00 57.07 55.53 1oau s TYR 105 Cb -0.04 -0.99 0.20 0.00 -0.11 0.00 0.00 41.96 41.02 1oau s TYR 105 CO 0.06 0.22 1.46 1.52 -1.11 0.00 0.00 175.55 177.70 1oau s TYR 106 N -1.22 -0.03 0.56 2.71 -0.85 -0.89 -4.97 117.35 112.66 1oau s TYR 106 Ca 0.08 0.08 -0.10 0.00 -0.52 0.00 0.00 57.07 56.60 1oau s TYR 106 Cb -0.10 0.47 -0.04 0.00 0.38 0.00 0.00 41.96 42.67 1oau s TYR 106 CO 0.05 -0.02 0.95 -0.06 -1.52 0.00 0.00 175.55 174.95 1oau s PHE 107 N 0.06 3.59 0.00 -3.49 0.08 -1.26 -1.69 117.98 115.27 1oau s PHE 107 Ca 0.07 1.16 0.00 0.00 0.12 0.00 0.00 56.93 58.28 1oau s PHE 107 Cb -0.05 -2.60 0.00 0.00 -0.57 0.00 0.00 43.02 39.80 1oau s PHE 107 CO -0.16 -0.53 0.00 -0.40 -0.10 0.00 0.00 175.22 174.03 1oau n ASP 108 N -2.46 0.00 -4.76 1.36 5.75 -1.23 -4.96 116.55 110.25 1oau n ASP 108 Ca 0.04 0.00 -0.39 0.00 -0.01 0.00 0.00 54.79 54.43 1oau n ASP 108 Cb 0.54 0.15 -0.06 0.00 -1.03 0.00 0.00 41.12 40.73 1oau n ASP 108 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 1oau s TYR 109 N -0.77 3.69 0.14 2.11 2.02 -1.26 -5.00 117.35 118.28 1oau s TYR 109 Ca 0.00 1.23 0.11 0.00 -0.37 0.00 0.00 57.07 58.04 1oau s TYR 109 Cb 0.00 -2.63 -0.04 0.00 -0.40 0.00 0.00 41.96 38.89 1oau s TYR 109 CO 0.00 0.34 -0.26 -1.58 -1.57 0.00 0.00 175.55 172.48 1oau s TRP 110 N -0.18 2.28 1.08 2.71 0.52 -1.26 -2.40 118.94 121.69 1oau s TRP 110 Ca 0.32 -0.38 -0.16 0.00 0.02 0.00 0.00 56.10 55.90 1oau s TRP 110 Cb -0.18 -1.22 0.23 0.00 -1.15 0.00 0.00 33.47 31.15 1oau s TRP 110 CO 0.18 0.36 1.12 0.20 0.02 0.00 0.00 176.95 178.83 1oau s GLY 111 N -2.16 1.59 0.08 0.98 0.00 0.63 -4.66 107.32 103.77 1oau s GLY 111 Ca 0.15 -0.71 0.27 0.00 0.00 0.00 0.00 44.72 44.43 1oau s GLY 111 CO 0.07 0.03 1.79 0.61 0.00 0.00 0.00 173.10 175.60 1oau n GLN 112 N -4.38 0.11 0.00 2.90 0.00 -1.25 -4.80 117.38 109.96 1oau n GLN 112 Ca 0.09 0.08 0.00 0.00 0.00 0.00 0.00 57.00 57.17 1oau n GLN 112 Cb 0.59 -1.61 0.00 0.00 0.00 0.00 0.00 30.24 29.21 1oau n GLN 112 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1oau n GLY 113 N 1.43 0.15 3.10 2.61 0.00 -1.26 -5.04 105.19 106.18 1oau n GLY 113 Ca 0.06 -1.55 -0.28 0.00 0.00 0.00 0.00 46.02 44.25 1oau n GLY 113 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1oau s THR 114 N -2.67 1.58 -0.08 2.61 2.01 0.26 -4.88 115.64 114.47 1oau s THR 114 Ca 0.00 -0.72 -0.23 0.00 0.31 0.00 0.00 61.69 61.05 1oau s THR 114 Cb 0.00 -1.41 -0.04 0.00 0.01 0.00 0.00 72.50 71.07 1oau s THR 114 CO 0.00 0.45 0.68 -0.89 -0.69 0.00 0.00 174.62 174.17 1oau s THR 115 N 0.68 5.06 -0.12 -0.82 2.01 -1.26 -0.51 115.64 120.68 1oau s THR 115 Ca -0.13 1.38 0.03 0.00 0.31 0.00 0.00 61.69 63.28 1oau s THR 115 Cb -0.16 -4.01 -0.00 0.00 0.01 0.00 0.00 72.50 68.33 1oau s THR 115 CO 0.03 0.25 -0.21 -0.22 -0.69 0.00 0.00 174.62 173.78 1oau s LEU 116 N 0.86 2.22 -0.18 4.42 2.96 0.74 -0.96 118.68 128.74 1oau s LEU 116 Ca 0.36 -0.53 0.01 0.00 -0.22 0.00 0.00 54.13 53.75 1oau s LEU 116 Cb -0.17 -1.46 0.03 0.00 0.50 0.00 0.00 46.19 45.09 1oau s LEU 116 CO 0.17 0.14 -0.16 -0.89 -1.32 0.00 0.00 176.35 174.29 1oau s THR 117 N 0.47 1.85 -0.48 3.68 2.01 -0.35 -1.64 115.64 121.18 1oau s THR 117 Ca -0.15 -0.89 -0.21 0.00 0.31 0.00 0.00 61.69 60.75 1oau s THR 117 Cb -0.17 -1.74 0.04 0.00 0.01 0.00 0.00 72.50 70.64 1oau s THR 117 CO 0.06 0.43 0.72 -0.69 -0.69 0.00 0.00 174.62 174.44 1oau s VAL 118 N 1.36 4.73 -0.04 3.82 1.01 -1.26 -1.64 120.40 128.38 1oau s VAL 118 Ca 0.03 0.04 0.03 0.00 0.00 0.00 0.00 61.98 62.08 1oau s VAL 118 Cb -0.14 -4.31 0.01 0.00 0.00 0.00 0.00 36.38 31.94 1oau s VAL 118 CO -0.11 -0.77 -0.10 -0.55 0.00 0.00 0.00 175.10 173.57 1oau s SER 119 N 2.35 1.40 0.22 3.32 0.15 0.28 -4.68 113.70 116.75 1oau s SER 119 Ca 0.23 -0.22 -0.30 0.00 0.70 0.00 0.00 55.95 56.36 1oau s SER 119 Cb -0.15 -0.45 -0.09 0.00 -1.71 0.00 0.00 66.02 63.63 1oau s SER 119 CO 0.18 0.06 1.08 -0.44 1.20 0.00 0.00 173.24 175.32 1oau s SER 120 N 0.31 7.31 -0.55 5.45 0.01 -1.26 -3.99 113.70 120.98 1oau s SER 120 Ca -0.06 2.14 -0.28 0.00 1.31 0.00 0.00 55.95 59.07 1oau s SER 120 Cb -0.11 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.51 1oau s SER 120 CO 0.01 -0.14 1.55 0.00 0.41 0.00 0.00 173.24 175.07 1oau s ALA 121 N -0.71 2.68 -0.16 1.44 0.00 -1.26 -5.08 121.76 118.67 1oau s ALA 121 Ca 0.46 -0.57 0.00 0.00 0.00 0.00 0.00 51.96 51.85 1oau s ALA 121 Cb -0.30 -4.14 0.00 0.00 0.00 0.00 0.00 23.12 18.68 1oau s ALA 121 CO 0.37 -3.10 0.04 0.00 0.00 0.00 0.00 175.76 173.07