#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uit n SER 2 N 0.00 0.00 -3.64 1.61 7.64 -1.26 -5.18 113.62 112.79 1uit n SER 2 Ca 0.00 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.78 1uit n SER 2 Cb 0.00 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.13 1uit n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1uit s SER 3 N 0.00 -0.49 0.00 6.43 1.04 -1.26 -5.01 113.70 114.42 1uit s SER 3 Ca 0.00 0.94 0.00 0.00 0.48 0.00 0.00 55.95 57.37 1uit s SER 3 Cb 0.00 0.95 0.00 0.00 0.10 0.00 0.00 66.02 67.07 1uit s SER 3 CO 0.00 -0.16 0.00 0.61 0.98 0.00 0.00 173.24 174.67 1uit n GLY 4 N 2.29 -0.04 1.74 7.32 0.00 -1.26 -5.15 105.19 110.07 1uit n GLY 4 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1uit n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1uit n SER 5 N -1.48 -8.51 -4.64 1.61 7.64 -1.26 -5.01 113.62 101.98 1uit n SER 5 Ca 0.00 1.21 -0.30 0.00 1.01 0.00 0.00 58.87 60.79 1uit n SER 5 Cb 0.00 -4.47 -0.09 0.00 -1.01 0.00 0.00 64.21 58.64 1uit n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1uit s SER 6 N -1.43 4.76 -0.28 6.43 0.15 -1.26 -5.12 113.70 116.96 1uit s SER 6 Ca 0.00 -0.24 -0.17 0.00 0.70 0.00 0.00 55.95 56.24 1uit s SER 6 Cb 0.00 -1.06 0.09 0.00 -1.71 0.00 0.00 66.02 63.34 1uit s SER 6 CO 0.00 0.20 0.75 -0.83 1.20 0.00 0.00 173.24 174.55 1uit s GLY 7 N -2.12 -0.52 0.00 9.45 0.00 -1.26 -5.12 107.32 107.75 1uit s GLY 7 Ca 0.23 2.50 0.00 0.00 0.00 0.00 0.00 44.72 47.45 1uit s GLY 7 CO 0.15 2.35 0.00 0.61 0.00 0.00 0.00 173.10 176.21 1uit n GLY 8 N 4.00 5.40 3.64 0.20 0.00 -1.26 -5.11 105.19 112.06 1uit n GLY 8 Ca -0.19 -0.81 -0.42 0.00 0.00 0.00 0.00 46.02 44.60 1uit n GLY 8 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1uit s GLU 9 N 4.58 4.19 0.95 1.61 -1.05 -1.26 -5.03 118.70 122.69 1uit s GLU 9 Ca 0.00 1.00 -0.12 0.00 -0.15 0.00 0.00 54.97 55.70 1uit s GLU 9 Cb 0.00 -3.64 0.16 0.00 -0.44 0.00 0.00 34.13 30.21 1uit s GLU 9 CO 0.00 -0.53 1.09 0.50 0.95 0.00 0.00 175.26 177.26 1uit s ARG 10 N 2.89 0.78 0.00 -4.83 6.06 -1.26 -4.91 118.95 117.68 1uit s ARG 10 Ca 0.36 0.94 0.00 0.00 -2.50 0.00 0.00 55.73 54.53 1uit s ARG 10 Cb -0.15 -1.74 0.00 0.00 0.06 0.00 0.00 34.95 33.11 1uit s ARG 10 CO 0.07 -2.60 0.00 2.89 -2.50 0.00 0.00 175.30 173.16 1uit n ARG 11 N -4.15 0.00 -2.51 5.12 1.85 -1.26 -5.09 116.66 110.62 1uit n ARG 11 Ca 0.07 0.00 -0.04 0.00 -1.00 0.00 0.00 57.85 56.88 1uit n ARG 11 Cb 0.55 0.00 0.01 0.00 -1.05 0.00 0.00 32.46 31.96 1uit n ARG 11 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 1uit n LYS 12 N -1.39 -2.12 -3.64 2.89 0.00 -1.26 -5.07 118.16 107.57 1uit n LYS 12 Ca 0.00 1.92 -0.12 0.00 0.00 0.00 0.00 58.31 60.12 1uit n LYS 12 Cb 0.00 -4.62 -0.07 0.00 0.00 0.00 0.00 35.03 30.34 1uit n LYS 12 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1uit s ASP 13 N -1.93 -0.80 -0.22 3.14 1.11 -1.26 -5.15 116.67 111.56 1uit s ASP 13 Ca 0.13 1.44 -0.10 0.00 0.18 0.00 0.00 52.55 54.20 1uit s ASP 13 Cb -0.04 1.40 -0.05 0.00 1.07 0.00 0.00 42.92 45.31 1uit s ASP 13 CO 0.60 -0.24 0.14 -0.13 1.18 0.00 0.00 175.17 176.72 1uit s ARG 14 N 0.82 4.13 0.28 8.23 0.52 -1.26 -4.94 118.95 126.74 1uit s ARG 14 Ca -0.04 -0.24 0.14 0.00 -0.52 0.00 0.00 55.73 55.07 1uit s ARG 14 Cb -0.05 -3.47 0.32 0.00 0.52 0.00 0.00 34.95 32.27 1uit s ARG 14 CO -0.06 0.20 1.57 -1.00 0.02 0.00 0.00 175.30 176.02 1uit h PRO 15 N 7.04 0.00 0.00 3.54 0.13 -2.01 -3.45 132.00 137.25 1uit h PRO 15 Ca -0.40 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 1uit h PRO 15 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1uit h PRO 15 CO 0.71 0.58 0.00 0.66 -0.23 0.00 0.00 178.00 179.72 1uit n TYR 16 N -3.52 -1.04 -3.76 1.56 4.01 -1.26 -5.15 117.16 107.99 1uit n TYR 16 Ca -0.00 0.05 -0.16 0.00 -0.16 0.00 0.00 57.90 57.63 1uit n TYR 16 Cb 0.66 0.30 -0.00 0.00 -0.31 0.00 0.00 39.34 39.98 1uit n TYR 16 CO 0.00 0.00 0.00 1.33 -0.46 0.00 0.00 176.86 177.73 1uit n VAL 17 N -2.25 0.00 -2.58 -0.72 0.24 -1.26 -5.05 118.33 106.71 1uit n VAL 17 Ca 0.00 -1.33 -0.41 0.00 -2.04 0.00 0.00 64.34 60.55 1uit n VAL 17 Cb 0.00 -0.19 -0.03 0.00 -1.47 0.00 0.00 33.84 32.15 1uit n VAL 17 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1uit s GLU 18 N -3.36 3.23 0.76 7.34 0.41 -1.25 -4.79 118.70 121.03 1uit s GLU 18 Ca 0.18 -0.21 -0.16 0.00 -0.41 0.00 0.00 54.97 54.37 1uit s GLU 18 Cb -0.01 -4.16 -0.14 0.00 -1.78 0.00 0.00 34.13 28.04 1uit s GLU 18 CO 0.12 -2.04 -0.52 0.39 -0.49 0.00 0.00 175.26 172.72 1uit n GLU 19 N 9.08 0.00 -2.43 1.61 -0.58 -1.26 -4.20 120.64 122.86 1uit n GLU 19 Ca 0.03 0.00 -0.42 0.00 -0.42 0.00 0.00 57.16 56.35 1uit n GLU 19 Cb 0.49 -0.92 -0.03 0.00 -0.57 0.00 0.00 31.44 30.41 1uit n GLU 19 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 1uit s PRO 20 N -1.51 4.33 0.45 3.49 0.04 -1.26 -4.71 135.00 135.82 1uit s PRO 20 Ca 0.43 1.70 0.08 0.00 0.04 0.00 0.00 61.00 63.24 1uit s PRO 20 Cb -0.27 -3.59 0.01 0.00 0.04 0.00 0.00 34.50 30.68 1uit s PRO 20 CO 0.71 -0.50 0.49 -0.98 0.04 0.00 0.00 177.00 176.76 1uit s ARG 21 N 2.42 2.57 -0.57 4.56 3.03 -0.15 -4.95 118.95 125.87 1uit s ARG 21 Ca 0.56 -1.50 0.04 0.00 2.03 0.00 0.00 55.73 56.86 1uit s ARG 21 Cb -0.25 -2.50 0.15 0.00 -1.03 0.00 0.00 34.95 31.32 1uit s ARG 21 CO 0.21 -0.33 0.35 -1.01 -1.13 0.00 0.00 175.30 173.39 1uit s HIS 22 N -2.48 2.92 -0.23 5.89 3.76 -1.26 -2.58 115.29 121.30 1uit s HIS 22 Ca 0.51 -3.02 -0.29 0.00 -0.15 0.00 0.00 55.06 52.11 1uit s HIS 22 Cb -0.05 -2.43 0.01 0.00 1.11 0.00 0.00 32.58 31.22 1uit s HIS 22 CO 0.30 -0.68 1.08 0.08 -0.85 0.00 0.00 174.74 174.67 1uit s VAL 23 N -0.59 4.60 0.60 -0.90 1.01 0.45 -4.78 120.40 120.80 1uit s VAL 23 Ca 0.22 1.93 -0.10 0.00 0.00 0.00 0.00 61.98 64.03 1uit s VAL 23 Cb -0.15 -4.28 -0.03 0.00 0.00 0.00 0.00 36.38 31.92 1uit s VAL 23 CO -0.08 -0.21 0.99 -0.54 0.00 0.00 0.00 175.10 175.25 1uit s LYS 24 N 3.30 3.44 -0.02 2.72 1.02 -1.26 0.17 119.74 129.11 1uit s LYS 24 Ca 0.46 0.56 0.02 0.00 0.02 0.00 0.00 55.97 57.02 1uit s LYS 24 Cb -0.16 -2.14 0.01 0.00 -0.52 0.00 0.00 37.83 35.02 1uit s LYS 24 CO 0.08 -0.58 -0.05 0.08 -0.92 0.00 0.00 175.35 173.97 1uit s VAL 25 N -3.11 0.47 -0.82 3.17 1.01 0.20 -4.65 120.40 116.67 1uit s VAL 25 Ca 0.54 -0.19 0.02 0.00 0.00 0.00 0.00 61.98 62.35 1uit s VAL 25 Cb -0.11 -0.44 0.28 0.00 0.00 0.00 0.00 36.38 36.12 1uit s VAL 25 CO 0.51 0.16 1.08 0.00 0.00 0.00 0.00 175.10 176.86 1uit n GLN 26 N 3.35 3.43 0.00 2.72 6.02 -1.26 -1.98 117.38 129.66 1uit n GLN 26 Ca -0.18 -4.65 0.00 0.00 -0.01 0.00 0.00 57.00 52.17 1uit n GLN 26 Cb 0.55 -2.36 0.00 0.00 1.02 0.00 0.00 30.24 29.45 1uit n GLN 26 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 1uit n LYS 27 N 0.91 0.00 0.00 -1.09 3.00 0.32 -4.88 118.16 116.42 1uit n LYS 27 Ca 0.29 0.08 0.00 0.00 -0.00 0.00 0.00 58.31 58.68 1uit n LYS 27 Cb 0.37 -0.95 0.00 0.00 0.00 0.00 0.00 35.03 34.45 1uit n LYS 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1uit n GLY 28 N -0.54 1.95 1.92 3.14 0.00 -0.61 -3.99 105.19 107.07 1uit n GLY 28 Ca 0.00 -0.47 -0.03 0.00 0.00 0.00 0.00 46.02 45.51 1uit n GLY 28 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1uit n SER 29 N 3.96 -1.11 -4.13 1.61 7.64 -1.26 -4.66 113.62 115.66 1uit n SER 29 Ca 0.00 -1.93 -0.09 0.00 1.01 0.00 0.00 58.87 57.86 1uit n SER 29 Cb 0.00 0.47 -0.10 0.00 -1.01 0.00 0.00 64.21 63.57 1uit n SER 29 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1uit s GLU 30 N 0.07 0.78 1.03 1.43 0.41 -1.26 -5.17 118.70 116.00 1uit s GLU 30 Ca 0.05 -1.33 -0.16 0.00 -0.41 0.00 0.00 54.97 53.12 1uit s GLU 30 Cb 0.24 0.14 0.21 0.00 -1.78 0.00 0.00 34.13 32.95 1uit s GLU 30 CO -0.07 -0.16 1.20 -1.25 -0.49 0.00 0.00 175.26 174.49 1uit s PRO 31 N -3.96 0.14 -0.12 0.39 0.04 -1.26 -4.86 135.00 125.37 1uit s PRO 31 Ca 0.15 -0.09 -0.14 0.00 0.04 0.00 0.00 61.00 60.96 1uit s PRO 31 Cb 0.07 -1.76 -0.13 0.00 0.04 0.00 0.00 34.50 32.73 1uit s PRO 31 CO -0.04 -2.80 0.37 1.25 0.04 0.00 0.00 177.00 175.82 1uit h LEU 32 N -1.92 0.00 -2.89 -3.56 5.85 -1.94 -3.33 115.31 107.52 1uit h LEU 32 Ca -0.46 -0.49 -0.01 0.00 0.84 0.00 0.00 57.88 57.76 1uit h LEU 32 Cb 1.28 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.32 1uit h LEU 32 CO 0.44 0.76 -0.04 0.61 -0.34 0.00 0.00 178.44 179.87 1uit n GLY 33 N 1.69 -0.25 3.35 3.75 0.00 -1.26 -1.97 105.19 110.50 1uit n GLY 33 Ca -0.05 -0.08 -0.10 0.00 0.00 0.00 0.00 46.02 45.78 1uit n GLY 33 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1uit s ILE 34 N -3.02 0.07 0.01 -0.61 -4.36 -1.26 -0.70 121.20 111.33 1uit s ILE 34 Ca 0.02 -0.79 0.06 0.00 -0.26 0.00 0.00 60.65 59.68 1uit s ILE 34 Cb -0.00 -1.35 -0.03 0.00 1.25 0.00 0.00 42.46 42.33 1uit s ILE 34 CO 0.14 -0.31 -0.17 -0.55 0.24 0.00 0.00 174.94 174.28 1uit s SER 35 N -2.84 3.83 0.05 4.36 0.15 0.27 -4.94 113.70 114.58 1uit s SER 35 Ca 0.06 -0.35 0.03 0.00 0.70 0.00 0.00 55.95 56.40 1uit s SER 35 Cb 0.02 -0.67 -0.02 0.00 -1.71 0.00 0.00 66.02 63.63 1uit s SER 35 CO -0.09 0.29 -0.10 0.27 1.20 0.00 0.00 173.24 174.81 1uit s ILE 36 N -0.84 0.79 0.04 6.45 -5.25 -1.26 0.14 121.20 121.27 1uit s ILE 36 Ca 0.13 -1.11 0.02 0.00 -0.99 0.00 0.00 60.65 58.71 1uit s ILE 36 Cb -0.10 -0.80 -0.02 0.00 2.95 0.00 0.00 42.46 44.49 1uit s ILE 36 CO 0.03 -0.27 -0.08 0.68 -1.79 0.00 0.00 174.94 173.51 1uit s VAL 37 N -1.23 0.59 0.01 8.37 -7.23 0.77 -4.76 120.40 116.92 1uit s VAL 37 Ca -0.06 -0.98 -0.02 0.00 -1.81 0.00 0.00 61.98 59.11 1uit s VAL 37 Cb -0.09 -0.63 -0.04 0.00 0.56 0.00 0.00 36.38 36.18 1uit s VAL 37 CO 0.01 -0.29 0.17 -0.55 -0.31 0.00 0.00 175.10 174.13 1uit s SER 38 N -1.39 6.26 -0.01 4.85 0.15 -1.26 -1.04 113.70 121.26 1uit s SER 38 Ca -0.07 0.30 0.07 0.00 0.70 0.00 0.00 55.95 56.94 1uit s SER 38 Cb -0.09 -1.93 -0.02 0.00 -1.71 0.00 0.00 66.02 62.26 1uit s SER 38 CO 0.01 0.24 -0.21 -0.83 1.20 0.00 0.00 173.24 173.65 1uit s GLY 39 N -2.05 1.42 0.18 9.45 0.00 -1.18 -4.76 107.32 110.39 1uit s GLY 39 Ca 0.28 -1.10 -0.22 0.00 0.00 0.00 0.00 44.72 43.69 1uit s GLY 39 CO 0.20 -0.93 1.58 -2.09 0.00 0.00 0.00 173.10 171.87 1uit h GLU 40 N 5.22 -0.16 -0.82 2.90 4.81 -1.99 0.44 114.58 124.97 1uit h GLU 40 Ca -0.45 0.01 0.20 0.00 -0.13 0.00 0.00 59.36 58.99 1uit h GLU 40 Cb 1.14 0.04 -0.12 0.00 0.63 0.00 0.00 28.75 30.43 1uit h GLU 40 CO 0.48 -0.11 0.25 -0.22 -0.73 0.00 0.00 179.01 178.68 1uit h LYS 41 N -0.17 0.28 0.00 1.92 3.11 -2.04 -3.47 116.57 116.20 1uit h LYS 41 Ca 0.23 -0.02 0.00 0.00 -2.81 0.00 0.00 60.65 58.05 1uit h LYS 41 Cb 0.56 -0.06 0.00 0.00 -1.00 0.00 0.00 32.23 31.72 1uit h LYS 41 CO -0.69 0.18 0.00 0.41 -2.81 0.00 0.00 179.45 176.54 1uit n GLY 42 N -1.36 3.99 0.00 5.01 0.00 0.15 -5.18 105.19 107.81 1uit n GLY 42 Ca 0.18 -1.46 0.00 0.00 0.00 0.00 0.00 46.02 44.74 1uit n GLY 42 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uit n GLY 43 N -1.25 1.66 3.19 -0.02 0.00 -1.25 -4.74 105.19 102.77 1uit n GLY 43 Ca 0.00 -2.17 -0.26 0.00 0.00 0.00 0.00 46.02 43.59 1uit n GLY 43 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1uit s ILE 44 N -1.62 1.52 -0.00 -0.61 -1.09 -1.26 -3.09 121.20 115.05 1uit s ILE 44 Ca 0.00 -0.81 0.05 0.00 -2.23 0.00 0.00 60.65 57.65 1uit s ILE 44 Cb 0.00 -1.28 -0.01 0.00 -1.58 0.00 0.00 42.46 39.59 1uit s ILE 44 CO 0.00 0.43 -0.15 -0.31 -1.23 0.00 0.00 174.94 173.68 1uit s TYR 45 N -0.34 1.32 0.05 3.97 1.51 -0.21 -2.59 117.35 121.07 1uit s TYR 45 Ca 0.05 -0.27 -0.31 0.00 -1.01 0.00 0.00 57.07 55.53 1uit s TYR 45 Cb -0.09 -0.83 -0.07 0.00 -0.11 0.00 0.00 41.96 40.86 1uit s TYR 45 CO 0.00 -0.01 1.58 0.08 -1.11 0.00 0.00 175.55 176.09 1uit s VAL 46 N -0.44 3.24 -0.14 0.71 1.01 -1.26 -0.16 120.40 123.36 1uit s VAL 46 Ca 0.05 0.67 0.20 0.00 0.00 0.00 0.00 61.98 62.90 1uit s VAL 46 Cb -0.06 -3.43 -0.17 0.00 0.00 0.00 0.00 36.38 32.72 1uit s VAL 46 CO -0.00 -0.00 0.70 -0.24 0.00 0.00 0.00 175.10 175.56 1uit n SER 47 N 5.52 0.50 -3.66 3.32 2.88 0.37 -2.90 113.62 119.65 1uit n SER 47 Ca 0.15 0.20 0.03 0.00 -1.33 0.00 0.00 58.87 57.92 1uit n SER 47 Cb 0.41 0.91 0.00 0.00 -0.75 0.00 0.00 64.21 64.78 1uit n SER 47 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 1uit s LYS 48 N -3.19 0.24 -0.22 -1.46 2.47 -1.18 -4.89 119.74 111.51 1uit s LYS 48 Ca -0.05 -0.14 -0.04 0.00 -1.56 0.00 0.00 55.97 54.19 1uit s LYS 48 Cb 0.10 0.08 0.12 0.00 -1.46 0.00 0.00 37.83 36.67 1uit s LYS 48 CO 0.84 -0.11 0.37 0.54 0.16 0.00 0.00 175.35 177.15 1uit s VAL 49 N -2.19 -0.59 0.61 4.02 0.11 -1.26 -0.56 120.40 120.54 1uit s VAL 49 Ca 0.18 0.01 -0.18 0.00 -2.93 0.00 0.00 61.98 59.06 1uit s VAL 49 Cb 0.05 -0.74 -0.04 0.00 -1.53 0.00 0.00 36.38 34.11 1uit s VAL 49 CO -0.04 -0.06 1.00 0.41 -3.33 0.00 0.00 175.10 173.07 1uit n THR 50 N 5.37 3.84 -3.46 5.04 -1.04 0.12 -4.88 114.28 119.26 1uit n THR 50 Ca -0.05 -0.50 -0.38 0.00 -2.04 0.00 0.00 64.05 61.08 1uit n THR 50 Cb 0.50 -1.18 -0.06 0.00 -1.82 0.00 0.00 70.33 67.77 1uit n THR 50 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1uit s VAL 51 N -1.50 5.12 0.00 12.58 0.11 -1.26 -3.81 120.40 131.64 1uit s VAL 51 Ca 0.77 0.81 0.00 0.00 -2.93 0.00 0.00 61.98 60.63 1uit s VAL 51 Cb -0.41 -3.72 0.00 0.00 -1.53 0.00 0.00 36.38 30.72 1uit s VAL 51 CO 0.46 0.48 0.00 0.61 -3.33 0.00 0.00 175.10 173.32 1uit n GLY 52 N 2.46 3.01 3.76 6.54 0.00 -1.26 -5.01 105.19 114.69 1uit n GLY 52 Ca -0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.59 1uit n GLY 52 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1uit s SER 53 N -0.39 4.43 0.17 1.61 0.01 -1.25 -4.71 113.70 113.56 1uit s SER 53 Ca 0.00 1.89 -0.30 0.00 1.31 0.00 0.00 55.95 58.85 1uit s SER 53 Cb 0.00 -2.53 -0.04 0.00 0.21 0.00 0.00 66.02 63.66 1uit s SER 53 CO 0.00 -2.09 1.54 0.40 0.41 0.00 0.00 173.24 173.50 1uit h ILE 54 N -1.04 0.00 0.00 1.44 1.08 -1.67 -0.65 117.51 116.67 1uit h ILE 54 Ca -0.44 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.03 1uit h ILE 54 Cb 1.24 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.99 1uit h ILE 54 CO 0.51 0.00 0.00 0.00 -0.69 0.00 0.00 178.15 177.97 1uit n ALA 55 N -3.27 0.00 -0.35 1.87 0.00 -0.83 -0.11 120.51 117.83 1uit n ALA 55 Ca 0.03 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.41 1uit n ALA 55 Cb 0.27 0.43 -0.04 0.00 0.00 0.00 0.00 19.45 20.12 1uit n ALA 55 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1uit n HIS 56 N -2.80 -0.22 -0.27 0.00 -0.00 -0.34 0.18 115.22 111.77 1uit n HIS 56 Ca 0.00 1.06 0.06 0.00 -0.00 0.00 0.00 57.72 58.84 1uit n HIS 56 Cb 0.00 -0.67 0.17 0.00 -0.00 0.00 0.00 29.99 29.49 1uit n HIS 56 CO 0.00 0.00 0.00 1.96 -0.00 0.00 0.00 176.34 178.30 1uit h GLN 57 N 0.00 0.09 -0.50 1.57 4.20 0.44 1.30 115.11 122.20 1uit h GLN 57 Ca 0.20 -0.01 0.02 0.00 0.06 0.00 0.00 58.65 58.93 1uit h GLN 57 Cb 0.41 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.15 1uit h GLN 57 CO -0.82 0.06 0.33 0.00 -0.67 0.00 0.00 178.83 177.73 1uit h ALA 58 N 1.74 1.72 -0.08 3.87 0.00 0.42 -3.46 119.26 123.47 1uit h ALA 58 Ca 0.43 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.32 1uit h ALA 58 Cb 0.77 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1uit h ALA 58 CO -0.70 0.23 0.00 0.41 0.00 0.00 0.00 179.25 179.19 1uit n GLY 59 N -1.47 0.90 3.85 0.00 0.00 0.45 -4.84 105.19 104.07 1uit n GLY 59 Ca 0.05 -0.04 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 1uit n GLY 59 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1uit s LEU 60 N -0.08 3.46 0.15 0.99 1.43 -1.21 -5.02 118.68 118.39 1uit s LEU 60 Ca 0.00 1.50 -0.07 0.00 -1.03 0.00 0.00 54.13 54.53 1uit s LEU 60 Cb 0.00 -4.49 -0.02 0.00 0.03 0.00 0.00 46.19 41.72 1uit s LEU 60 CO 0.00 -0.71 0.23 -1.83 0.23 0.00 0.00 176.35 174.27 1uit s GLU 61 N -4.54 1.09 0.49 1.70 -1.05 -1.26 -4.82 118.70 110.32 1uit s GLU 61 Ca 0.57 -1.22 -0.19 0.00 -0.15 0.00 0.00 54.97 53.98 1uit s GLU 61 Cb -0.10 0.35 -0.08 0.00 -0.44 0.00 0.00 34.13 33.85 1uit s GLU 61 CO 0.41 -0.38 1.00 -0.47 0.95 0.00 0.00 175.26 176.77 1uit s TYR 62 N -3.98 3.22 0.00 4.83 6.14 -1.26 -3.41 117.35 122.89 1uit s TYR 62 Ca 0.18 1.55 0.00 0.00 0.64 0.00 0.00 57.07 59.44 1uit s TYR 62 Cb 0.04 -2.91 0.00 0.00 0.42 0.00 0.00 41.96 39.51 1uit s TYR 62 CO -0.00 -0.53 0.00 0.41 0.64 0.00 0.00 175.55 176.07 1uit n GLY 63 N -0.85 2.51 3.56 8.97 0.00 -1.14 -4.95 105.19 113.28 1uit n GLY 63 Ca 0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 1uit n GLY 63 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1uit s ASP 64 N -2.65 5.45 -0.04 1.61 2.15 -1.22 -4.32 116.67 117.64 1uit s ASP 64 Ca 0.00 -0.48 -0.29 0.00 0.43 0.00 0.00 52.55 52.20 1uit s ASP 64 Cb 0.00 -2.55 -0.07 0.00 -0.30 0.00 0.00 42.92 39.99 1uit s ASP 64 CO 0.00 -2.40 2.00 -1.58 -0.17 0.00 0.00 175.17 173.02 1uit s GLN 65 N 6.64 3.87 -0.46 4.34 0.74 -1.26 -4.02 119.66 129.50 1uit s GLN 65 Ca 0.63 2.40 -0.28 0.00 0.05 0.00 0.00 55.36 58.16 1uit s GLN 65 Cb -0.07 -4.20 0.01 0.00 1.10 0.00 0.00 33.01 29.84 1uit s GLN 65 CO 0.05 -1.26 1.47 -0.51 -0.55 0.00 0.00 175.29 174.49 1uit s LEU 66 N 5.46 3.51 -0.08 3.68 1.43 -1.07 -2.86 118.68 128.75 1uit s LEU 66 Ca 0.90 0.67 -0.10 0.00 -1.03 0.00 0.00 54.13 54.57 1uit s LEU 66 Cb -0.39 -3.34 -0.07 0.00 0.03 0.00 0.00 46.19 42.43 1uit s LEU 66 CO 0.39 -1.59 0.36 -0.07 0.23 0.00 0.00 176.35 175.67 1uit h LEU 67 N 12.82 -0.17 -7.23 1.79 3.38 -1.33 -3.38 115.31 121.18 1uit h LEU 67 Ca -0.28 -0.11 -0.22 0.00 0.09 0.00 0.00 57.88 57.36 1uit h LEU 67 Cb 1.11 0.04 -0.32 0.00 0.09 0.00 0.00 40.66 41.58 1uit h LEU 67 CO 1.12 0.35 -0.53 -1.61 0.09 0.00 0.00 178.44 177.85 1uit s GLU 68 N -2.40 0.14 -0.36 1.13 2.02 -1.12 -2.16 118.70 115.95 1uit s GLU 68 Ca -0.05 0.70 -0.18 0.00 0.02 0.00 0.00 54.97 55.45 1uit s GLU 68 Cb 0.00 -0.07 -0.00 0.00 0.10 0.00 0.00 34.13 34.16 1uit s GLU 68 CO 0.19 -0.27 0.49 0.12 0.02 0.00 0.00 175.26 175.81 1uit s PHE 69 N 2.22 3.18 -0.99 1.61 2.19 -1.05 -0.55 117.98 124.58 1uit s PHE 69 Ca -0.00 0.09 0.00 0.00 0.33 0.00 0.00 56.93 57.35 1uit s PHE 69 Cb -0.12 -2.91 0.00 0.00 -1.31 0.00 0.00 43.02 38.69 1uit s PHE 69 CO -0.08 -0.55 0.00 -1.71 1.83 0.00 0.00 175.22 174.71 1uit n ASN 70 N 5.70 -5.65 -0.12 6.13 2.85 0.26 -1.20 115.26 123.24 1uit n ASN 70 Ca -0.05 0.23 0.00 0.00 -0.11 0.00 0.00 54.58 54.65 1uit n ASN 70 Cb 0.49 -3.97 0.00 0.00 1.24 0.00 0.00 39.78 37.54 1uit n ASN 70 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1uit n GLY 71 N 0.19 1.12 3.26 8.20 0.00 -1.26 -4.71 105.19 111.99 1uit n GLY 71 Ca -0.09 -0.23 -0.33 0.00 0.00 0.00 0.00 46.02 45.36 1uit n GLY 71 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1uit s ILE 72 N -2.23 2.70 -0.64 -0.61 1.01 -0.34 -5.04 121.20 116.04 1uit s ILE 72 Ca 0.00 -0.76 -0.26 0.00 0.00 0.00 0.00 60.65 59.64 1uit s ILE 72 Cb 0.00 -2.14 -0.12 0.00 0.01 0.00 0.00 42.46 40.21 1uit s ILE 72 CO 0.00 0.51 2.44 -3.20 0.00 0.00 0.00 174.94 174.69 1uit n ASN 73 N 4.11 1.81 -0.02 3.58 2.85 -1.26 -2.52 115.26 123.81 1uit n ASN 73 Ca -0.19 -0.69 -0.02 0.00 -0.11 0.00 0.00 54.58 53.57 1uit n ASN 73 Cb 0.52 -1.49 -0.13 0.00 1.24 0.00 0.00 39.78 39.92 1uit n ASN 73 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1uit n LEU 74 N 15.65 0.46 0.10 1.20 4.77 -0.92 -4.06 117.00 134.21 1uit n LEU 74 Ca 0.44 0.21 0.19 0.00 -0.03 0.00 0.00 56.01 56.81 1uit n LEU 74 Cb 0.45 0.20 0.60 0.00 -2.33 0.00 0.00 43.42 42.34 1uit n LEU 74 CO 0.71 0.26 1.17 0.03 -1.33 0.00 0.00 177.39 178.22 1uit h ARG 75 N 0.00 0.00 -1.61 3.23 3.08 -1.69 0.17 114.38 117.57 1uit h ARG 75 Ca -0.27 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.27 1uit h ARG 75 Cb 1.74 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 31.38 1uit h ARG 75 CO 0.04 0.00 -0.90 0.43 -1.07 0.00 0.00 179.97 178.47 1uit n SER 76 N -3.26 3.30 -4.29 7.04 7.64 -1.26 -3.90 113.62 118.89 1uit n SER 76 Ca 0.08 -3.36 -0.16 0.00 1.01 0.00 0.00 58.87 56.44 1uit n SER 76 Cb 0.83 -0.52 -0.10 0.00 -1.01 0.00 0.00 64.21 63.41 1uit n SER 76 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1uit s ALA 77 N -3.27 1.71 0.48 -0.43 0.00 0.61 -5.07 121.76 115.79 1uit s ALA 77 Ca 0.42 -1.56 0.04 0.00 0.00 0.00 0.00 51.96 50.86 1uit s ALA 77 Cb 0.38 -0.02 0.08 0.00 0.00 0.00 0.00 23.12 23.57 1uit s ALA 77 CO -0.11 -0.02 0.61 0.25 0.00 0.00 0.00 175.76 176.49 1uit n THR 78 N -0.26 0.00 0.05 0.00 -2.24 -1.26 -4.39 114.28 106.18 1uit n THR 78 Ca -0.09 -1.26 -0.16 0.00 -2.27 0.00 0.00 64.05 60.26 1uit n THR 78 Cb 0.60 -0.79 -0.06 0.00 -2.10 0.00 0.00 70.33 67.98 1uit n THR 78 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 1uit h GLU 79 N 0.00 0.54 -0.51 -0.78 4.11 -1.91 -1.93 114.58 114.10 1uit h GLU 79 Ca -0.20 -0.56 -0.11 0.00 0.07 0.00 0.00 59.36 58.55 1uit h GLU 79 Cb 0.86 0.16 -0.02 0.00 0.50 0.00 0.00 28.75 30.25 1uit h GLU 79 CO 0.26 1.19 -0.11 -0.56 0.07 0.00 0.00 179.01 179.86 1uit h GLN 80 N 0.31 0.97 -0.15 1.06 3.07 -1.97 -2.38 115.11 116.03 1uit h GLN 80 Ca -0.09 -0.37 -0.03 0.00 0.09 0.00 0.00 58.65 58.25 1uit h GLN 80 Cb 1.60 -0.06 -0.01 0.00 0.08 0.00 0.00 27.48 29.09 1uit h GLN 80 CO 0.18 1.04 -0.01 1.96 0.09 0.00 0.00 178.83 182.08 1uit h GLN 81 N 0.84 0.28 0.03 0.06 7.50 -1.95 -3.07 115.11 118.80 1uit h GLN 81 Ca 0.13 -0.09 0.01 0.00 0.50 0.00 0.00 58.65 59.20 1uit h GLN 81 Cb 0.67 -0.02 -0.03 0.00 0.05 0.00 0.00 27.48 28.15 1uit h GLN 81 CO 0.05 0.52 -0.32 0.00 -1.50 0.00 0.00 178.83 177.58 1uit h ALA 82 N 0.75 -0.79 -1.88 3.87 0.00 -1.28 1.25 119.26 121.18 1uit h ALA 82 Ca 0.04 -0.06 0.56 0.00 0.00 0.00 0.00 54.91 55.45 1uit h ALA 82 Cb 0.40 0.75 -0.09 0.00 0.00 0.00 0.00 17.79 18.86 1uit h ALA 82 CO 0.01 -0.88 1.34 0.00 0.00 0.00 0.00 179.25 179.72 1uit h ARG 83 N -0.42 0.00 0.00 0.00 3.08 -1.47 1.30 114.38 116.87 1uit h ARG 83 Ca 0.00 -0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.98 1uit h ARG 83 Cb 0.44 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.48 1uit h ARG 83 CO -0.20 0.00 -0.46 -0.07 -1.07 0.00 0.00 179.97 178.17 1uit h LEU 84 N 0.00 0.00 0.10 3.04 3.38 -0.48 -0.72 115.31 120.63 1uit h LEU 84 Ca 0.93 -0.57 0.02 0.00 0.09 0.00 0.00 57.88 58.34 1uit h LEU 84 Cb 3.62 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 44.33 1uit h LEU 84 CO -0.08 1.05 -0.30 0.40 0.09 0.00 0.00 178.44 179.61 1uit h ILE 85 N -1.00 0.35 -0.37 1.22 2.04 0.78 -1.45 117.51 119.08 1uit h ILE 85 Ca -0.11 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.65 1uit h ILE 85 Cb 0.89 0.35 -0.02 0.00 -0.74 0.00 0.00 36.82 37.30 1uit h ILE 85 CO -0.07 0.00 -0.17 0.16 0.00 0.00 0.00 178.15 178.08 1uit h ILE 86 N -0.50 1.26 -0.39 -0.67 3.07 0.11 -2.82 117.51 117.57 1uit h ILE 86 Ca 0.04 -1.21 -0.25 0.00 1.55 0.00 0.00 64.86 64.98 1uit h ILE 86 Cb 0.54 1.16 -0.10 0.00 -0.27 0.00 0.00 36.82 38.15 1uit h ILE 86 CO -0.19 0.40 0.26 0.61 -1.05 0.00 0.00 178.15 178.18 1uit n GLY 87 N -0.40 3.66 1.54 0.16 0.00 -0.28 -4.80 105.19 105.06 1uit n GLY 87 Ca 0.01 -0.92 -0.09 0.00 0.00 0.00 0.00 46.02 45.02 1uit n GLY 87 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1uit n GLN 88 N 0.84 0.49 -4.60 1.61 6.02 -0.66 -4.79 117.38 116.29 1uit n GLN 88 Ca 0.25 -1.13 -0.32 0.00 -0.01 0.00 0.00 57.00 55.80 1uit n GLN 88 Cb 0.58 -0.21 -0.12 0.00 1.02 0.00 0.00 30.24 31.51 1uit n GLN 88 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 177.06 177.19 1uit s GLN 89 N -3.33 2.37 0.00 -1.09 0.00 -1.26 -4.98 119.66 111.38 1uit s GLN 89 Ca 0.26 -0.81 0.00 0.00 -0.00 0.00 0.00 55.36 54.81 1uit s GLN 89 Cb -0.02 -2.37 0.00 0.00 0.00 0.00 0.00 33.01 30.62 1uit s GLN 89 CO 0.17 0.58 0.00 0.00 0.00 0.00 0.00 175.29 176.04 1uit h ASP 91 N 0.00 -0.52 -3.25 0.00 3.32 -1.95 -3.38 116.42 110.64 1uit h ASP 91 Ca 0.00 0.16 -0.52 0.00 0.02 0.00 0.00 57.03 56.69 1uit h ASP 91 Cb 0.00 0.34 -0.36 0.00 0.22 0.00 0.00 39.33 39.53 1uit h ASP 91 CO 0.00 -0.18 -0.81 -0.89 -1.72 0.00 0.00 179.24 175.64 1uit s THR 92 N -6.22 1.06 0.02 0.35 2.01 -1.26 -0.52 115.64 111.08 1uit s THR 92 Ca -0.14 -0.35 0.04 0.00 0.31 0.00 0.00 61.69 61.55 1uit s THR 92 Cb 0.17 -1.05 -0.02 0.00 0.01 0.00 0.00 72.50 71.62 1uit s THR 92 CO 0.72 0.36 -0.11 -0.51 -0.69 0.00 0.00 174.62 174.40 1uit s ILE 93 N 1.40 0.84 0.18 1.82 -1.16 -0.84 -4.96 121.20 118.49 1uit s ILE 93 Ca -0.01 -0.76 0.05 0.00 -0.51 0.00 0.00 60.65 59.42 1uit s ILE 93 Cb -0.13 -0.77 -0.04 0.00 0.61 0.00 0.00 42.46 42.13 1uit s ILE 93 CO -0.05 0.02 0.21 -0.89 -2.81 0.00 0.00 174.94 171.41 1uit s THR 94 N -0.68 4.76 -0.00 4.00 2.01 -1.26 0.59 115.64 125.07 1uit s THR 94 Ca 0.00 -1.03 0.03 0.00 0.31 0.00 0.00 61.69 61.01 1uit s THR 94 Cb -0.06 -3.48 -0.01 0.00 0.01 0.00 0.00 72.50 68.96 1uit s THR 94 CO 0.00 -0.17 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.04 1uit s ILE 95 N -1.84 0.79 -0.66 1.82 1.01 0.13 0.91 121.20 123.36 1uit s ILE 95 Ca 0.32 -0.50 -0.05 0.00 0.00 0.00 0.00 60.65 60.42 1uit s ILE 95 Cb -0.10 -0.68 0.17 0.00 0.01 0.00 0.00 42.46 41.87 1uit s ILE 95 CO 0.25 0.17 0.51 -0.22 0.00 0.00 0.00 174.94 175.65 1uit s LEU 96 N -0.38 5.57 0.34 2.97 2.96 0.29 -0.41 118.68 130.02 1uit s LEU 96 Ca 0.03 -2.79 0.03 0.00 -0.22 0.00 0.00 54.13 51.17 1uit s LEU 96 Cb -0.04 -1.93 -0.02 0.00 0.50 0.00 0.00 46.19 44.69 1uit s LEU 96 CO -0.00 -0.42 0.52 0.00 -1.32 0.00 0.00 176.35 175.12 1uit s ALA 97 N 0.02 3.87 -0.50 5.97 0.00 -1.06 -0.84 121.76 129.22 1uit s ALA 97 Ca 0.17 -1.13 0.07 0.00 0.00 0.00 0.00 51.96 51.07 1uit s ALA 97 Cb -0.18 -1.94 0.21 0.00 0.00 0.00 0.00 23.12 21.21 1uit s ALA 97 CO -0.04 -0.04 0.79 0.94 0.00 0.00 0.00 175.76 177.41 1uit n GLN 98 N -1.73 0.64 -1.12 0.00 7.27 -1.13 -0.97 117.38 120.34 1uit n GLN 98 Ca -0.04 -1.94 -0.35 0.00 0.07 0.00 0.00 57.00 54.75 1uit n GLN 98 Cb 0.57 -1.47 0.01 0.00 2.41 0.00 0.00 30.24 31.76 1uit n GLN 98 CO 0.00 0.00 0.00 0.98 0.07 0.00 0.00 177.06 178.11 1uit n TYR 99 N 2.34 -2.48 -3.63 3.69 4.19 -1.26 -4.42 117.16 115.59 1uit n TYR 99 Ca 0.14 0.43 -0.15 0.00 3.31 0.00 0.00 57.90 61.63 1uit n TYR 99 Cb 0.59 -1.51 -0.14 0.00 0.49 0.00 0.00 39.34 38.77 1uit n TYR 99 CO 0.00 0.00 0.00 -0.80 0.91 0.00 0.00 176.86 176.97 1uit s ASN 100 N -0.89 0.61 -0.56 2.98 0.01 -1.26 -3.95 114.94 111.88 1uit s ASN 100 Ca 0.51 0.39 -0.06 0.00 -0.71 0.00 0.00 52.86 52.99 1uit s ASN 100 Cb -0.46 0.56 -0.14 0.00 0.41 0.00 0.00 41.25 41.62 1uit s ASN 100 CO 0.58 -0.26 2.69 -0.81 -1.51 0.00 0.00 177.10 177.79 1uit n PRO 101 N 5.34 2.09 -2.70 -0.60 -0.04 -1.26 -3.72 135.00 134.12 1uit n PRO 101 Ca -0.06 -1.22 -0.06 0.00 -0.04 0.00 0.00 63.50 62.13 1uit n PRO 101 Cb 0.50 -2.20 0.10 0.00 -0.04 0.00 0.00 33.50 31.85 1uit n PRO 101 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 1uit n HIS 102 N 3.22 -1.47 -3.92 0.54 -0.00 -1.26 -5.12 115.22 107.21 1uit n HIS 102 Ca 0.45 -2.05 -0.10 0.00 -0.00 0.00 0.00 57.72 56.01 1uit n HIS 102 Cb 0.46 1.11 -0.12 0.00 -0.00 0.00 0.00 29.99 31.43 1uit n HIS 102 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 1uit s VAL 103 N -0.71 0.06 0.03 3.57 1.01 -1.24 -5.00 120.40 118.12 1uit s VAL 103 Ca 0.21 -0.47 0.00 0.00 0.00 0.00 0.00 61.98 61.71 1uit s VAL 103 Cb 0.42 -0.15 0.00 0.00 0.00 0.00 0.00 36.38 36.64 1uit s VAL 103 CO -0.07 -0.26 0.00 1.57 0.00 0.00 0.00 175.10 176.34 1uit n HIS 104 N 2.29 -2.43 -1.66 5.22 -0.00 -1.26 -5.12 115.22 112.26 1uit n HIS 104 Ca -0.18 0.12 -0.49 0.00 0.46 0.00 0.00 57.72 57.62 1uit n HIS 104 Cb 0.57 0.71 -0.05 0.00 -0.12 0.00 0.00 29.99 31.10 1uit n HIS 104 CO 0.00 0.00 0.00 0.94 0.46 0.00 0.00 176.34 177.74 1uit n GLN 105 N -2.89 1.82 -3.01 1.57 7.27 -1.26 -4.97 117.38 115.92 1uit n GLN 105 Ca 0.00 0.66 -0.17 0.00 0.07 0.00 0.00 57.00 57.56 1uit n GLN 105 Cb 0.00 -2.41 0.01 0.00 2.41 0.00 0.00 30.24 30.25 1uit n GLN 105 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 1uit s LEU 106 N 1.90 3.62 0.37 1.69 1.43 -1.26 -5.06 118.68 121.37 1uit s LEU 106 Ca 0.86 -0.45 -0.28 0.00 -1.03 0.00 0.00 54.13 53.23 1uit s LEU 106 Cb -0.79 -2.59 -0.11 0.00 0.03 0.00 0.00 46.19 42.73 1uit s LEU 106 CO 0.46 -0.80 1.48 -0.44 0.23 0.00 0.00 176.35 177.28 1uit s SER 107 N -4.37 6.38 -0.99 2.29 0.01 -1.26 -4.86 113.70 110.89 1uit s SER 107 Ca 0.55 3.02 -0.23 0.00 1.31 0.00 0.00 55.95 60.60 1uit s SER 107 Cb -0.10 -2.66 -0.01 0.00 0.21 0.00 0.00 66.02 63.46 1uit s SER 107 CO 0.33 -0.85 1.77 -0.55 0.41 0.00 0.00 173.24 174.35 1uit s SER 108 N -0.11 5.68 -0.22 2.44 0.15 -1.26 -4.32 113.70 116.06 1uit s SER 108 Ca 0.53 -1.14 -0.07 0.00 0.70 0.00 0.00 55.95 55.97 1uit s SER 108 Cb -0.46 -2.57 0.03 0.00 -1.71 0.00 0.00 66.02 61.31 1uit s SER 108 CO 0.61 -2.27 0.14 1.41 1.20 0.00 0.00 173.24 174.33 1uit n HIS 109 N 12.00 -3.98 -3.69 3.44 8.25 -1.26 -4.94 115.22 125.03 1uit n HIS 109 Ca 0.39 2.11 -0.33 0.00 -0.26 0.00 0.00 57.72 59.63 1uit n HIS 109 Cb 0.48 -3.74 -0.08 0.00 1.12 0.00 0.00 29.99 27.77 1uit n HIS 109 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1uit n SER 110 N 1.37 3.87 -0.19 0.41 2.88 -1.26 -5.06 113.62 115.65 1uit n SER 110 Ca -0.24 -3.19 0.00 0.00 -1.33 0.00 0.00 58.87 54.11 1uit n SER 110 Cb 0.38 -0.94 0.00 0.00 -0.75 0.00 0.00 64.21 62.91 1uit n SER 110 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 1uit n ARG 111 N 2.05 0.00 -0.06 -1.46 1.85 -1.26 -4.73 116.66 113.05 1uit n ARG 111 Ca 0.22 0.00 -0.12 0.00 -1.00 0.00 0.00 57.85 56.95 1uit n ARG 111 Cb 0.36 0.00 -0.04 0.00 -1.05 0.00 0.00 32.46 31.74 1uit n ARG 111 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49 1uit n SER 112 N -3.77 1.47 0.00 2.89 3.41 -1.26 -5.14 113.62 111.22 1uit n SER 112 Ca 0.00 0.24 0.00 0.00 -0.26 0.00 0.00 58.87 58.85 1uit n SER 112 Cb 0.00 -0.56 0.00 0.00 -0.26 0.00 0.00 64.21 63.39 1uit n SER 112 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1uit n GLY 113 N 2.06 -1.58 3.81 5.00 0.00 -1.26 -5.01 105.19 108.21 1uit n GLY 113 Ca -0.20 -1.34 -0.30 0.00 0.00 0.00 0.00 46.02 44.18 1uit n GLY 113 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1uit s PRO 114 N -4.93 2.46 -0.72 1.61 0.04 -1.26 -5.02 135.00 127.17 1uit s PRO 114 Ca 0.00 0.77 0.04 0.00 0.04 0.00 0.00 61.00 61.85 1uit s PRO 114 Cb 0.00 -1.95 0.17 0.00 0.04 0.00 0.00 34.50 32.76 1uit s PRO 114 CO 0.00 -1.39 0.52 -1.12 0.04 0.00 0.00 177.00 175.06 1uit s SER 115 N -3.86 4.97 0.28 6.66 0.01 -1.26 -4.73 113.70 115.76 1uit s SER 115 Ca 0.60 -3.81 0.00 0.00 1.31 0.00 0.00 55.95 54.04 1uit s SER 115 Cb -0.14 -1.67 0.00 0.00 0.21 0.00 0.00 66.02 64.41 1uit s SER 115 CO 0.55 -0.10 0.00 -0.24 0.41 0.00 0.00 173.24 173.85 1uit n SER 116 N 2.06 -1.71 0.00 2.44 2.88 -1.26 -5.36 113.62 112.66 1uit n SER 116 Ca 0.19 0.51 0.00 0.00 -1.33 0.00 0.00 58.87 58.25 1uit n SER 116 Cb 0.35 1.74 0.00 0.00 -0.75 0.00 0.00 64.21 65.55 1uit n SER 116 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42