#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uit s SER 2 N 0.00 -0.20 -0.14 1.61 0.01 -1.26 -5.19 113.70 108.53 1uit s SER 2 Ca 0.00 -0.50 -0.34 0.00 1.31 0.00 0.00 55.95 56.42 1uit s SER 2 Cb 0.00 0.59 0.13 0.00 0.21 0.00 0.00 66.02 66.95 1uit s SER 2 CO 0.00 -1.09 1.18 -0.94 0.41 0.00 0.00 173.24 172.80 1uit s SER 3 N -2.94 -0.15 -0.29 2.44 1.04 -1.26 -5.15 113.70 107.38 1uit s SER 3 Ca 0.12 -0.02 -0.04 0.00 0.48 0.00 0.00 55.95 56.48 1uit s SER 3 Cb -0.03 0.18 0.19 0.00 0.10 0.00 0.00 66.02 66.46 1uit s SER 3 CO 0.04 -0.29 0.86 -0.83 0.98 0.00 0.00 173.24 174.00 1uit s GLY 4 N -2.32 -1.04 -0.41 7.32 0.00 -1.26 -5.10 107.32 104.51 1uit s GLY 4 Ca 0.09 1.72 0.02 0.00 0.00 0.00 0.00 44.72 46.55 1uit s GLY 4 CO -0.05 3.93 0.82 -0.56 0.00 0.00 0.00 173.10 177.24 1uit s SER 5 N 2.91 -1.05 0.00 1.64 0.01 -1.26 -5.16 113.70 110.79 1uit s SER 5 Ca 0.20 -0.83 0.00 0.00 1.31 0.00 0.00 55.95 56.63 1uit s SER 5 Cb -0.05 1.36 0.00 0.00 0.21 0.00 0.00 66.02 67.53 1uit s SER 5 CO -0.24 -0.08 0.00 -0.24 0.41 0.00 0.00 173.24 173.09 1uit n SER 6 N 3.58 0.00 0.00 2.44 2.88 -1.26 -5.19 113.62 116.08 1uit n SER 6 Ca 0.12 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.66 1uit n SER 6 Cb 0.59 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.05 1uit n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1uit n GLY 7 N -0.07 4.30 0.00 0.46 0.00 -1.26 -5.10 105.19 103.51 1uit n GLY 7 Ca 0.00 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 44.68 1uit n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uit n GLY 8 N -1.54 2.73 3.60 -0.02 0.00 -1.26 -5.12 105.19 103.58 1uit n GLY 8 Ca 0.00 -0.43 -0.37 0.00 0.00 0.00 0.00 46.02 45.22 1uit n GLY 8 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1uit n GLU 9 N 0.00 0.67 -3.20 1.61 0.00 -1.26 -4.96 120.64 113.50 1uit n GLU 9 Ca 0.00 0.28 -0.39 0.00 0.00 0.00 0.00 57.16 57.05 1uit n GLU 9 Cb 0.00 -2.15 -0.06 0.00 0.00 0.00 0.00 31.44 29.23 1uit n GLU 9 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.13 178.16 1uit s ARG 10 N -2.97 4.29 0.04 3.44 0.52 -1.26 -5.08 118.95 117.93 1uit s ARG 10 Ca 0.74 0.83 0.09 0.00 -0.52 0.00 0.00 55.73 56.87 1uit s ARG 10 Cb -0.38 -3.25 -0.03 0.00 0.52 0.00 0.00 34.95 31.81 1uit s ARG 10 CO 0.49 0.60 -0.26 0.50 0.02 0.00 0.00 175.30 176.65 1uit s ARG 11 N -1.02 1.81 -0.25 3.54 3.52 -1.26 -5.12 118.95 120.17 1uit s ARG 11 Ca 0.31 -1.07 -0.03 0.00 -0.13 0.00 0.00 55.73 54.80 1uit s ARG 11 Cb -0.20 -1.95 0.01 0.00 -1.56 0.00 0.00 34.95 31.25 1uit s ARG 11 CO 0.20 0.51 -0.03 -1.59 -0.81 0.00 0.00 175.30 173.58 1uit s LYS 12 N -1.15 3.05 0.00 5.12 -2.85 -1.26 -5.06 119.74 117.59 1uit s LYS 12 Ca 0.11 -0.85 0.00 0.00 -1.00 0.00 0.00 55.97 54.23 1uit s LYS 12 Cb -0.10 -3.06 0.00 0.00 -2.06 0.00 0.00 37.83 32.61 1uit s LYS 12 CO 0.02 -0.35 0.00 -3.47 0.10 0.00 0.00 175.35 171.65 1uit n ASP 13 N 4.75 0.00 -4.27 0.03 -0.08 -1.26 -5.17 116.55 110.54 1uit n ASP 13 Ca -0.17 0.00 -0.27 0.00 -1.51 0.00 0.00 54.79 52.85 1uit n ASP 13 Cb 0.48 0.00 -0.14 0.00 2.34 0.00 0.00 41.12 43.80 1uit n ASP 13 CO 0.00 0.00 0.00 -0.13 0.12 0.00 0.00 177.20 177.19 1uit s ARG 14 N -2.00 1.49 0.36 -0.67 0.52 -1.26 -5.02 118.95 112.38 1uit s ARG 14 Ca 0.00 -0.98 0.27 0.00 -0.52 0.00 0.00 55.73 54.50 1uit s ARG 14 Cb 0.00 -1.62 0.88 0.00 0.52 0.00 0.00 34.95 34.74 1uit s ARG 14 CO 0.00 0.41 1.77 -1.00 0.02 0.00 0.00 175.30 176.51 1uit h PRO 15 N 4.87 0.00 0.00 3.54 0.13 -2.05 -3.46 132.00 135.03 1uit h PRO 15 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 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 0.44 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 178.87 1uit n TYR 16 N -2.66 0.00 -4.33 1.56 4.01 -1.26 -4.46 117.16 110.02 1uit n TYR 16 Ca 0.03 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.55 1uit n TYR 16 Cb 0.37 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.29 1uit n TYR 16 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1uit s VAL 17 N 0.00 1.84 -0.56 -0.72 0.11 -1.26 -5.05 120.40 114.75 1uit s VAL 17 Ca 0.00 -1.86 -0.33 0.00 -2.93 0.00 0.00 61.98 56.86 1uit s VAL 17 Cb 0.00 -1.81 -0.14 0.00 -1.53 0.00 0.00 36.38 32.90 1uit s VAL 17 CO 0.00 -0.26 2.37 -0.62 -3.33 0.00 0.00 175.10 173.26 1uit n GLU 18 N 0.43 0.67 -1.11 1.54 -0.58 -1.25 -4.83 120.64 115.51 1uit n GLU 18 Ca -0.14 0.12 -0.37 0.00 -0.42 0.00 0.00 57.16 56.35 1uit n GLU 18 Cb 0.56 -2.31 0.03 0.00 -0.57 0.00 0.00 31.44 29.15 1uit n GLU 18 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1uit n GLU 19 N 8.37 0.01 -2.47 3.49 1.02 -1.26 -4.27 120.64 125.53 1uit n GLU 19 Ca 0.48 0.01 -0.42 0.00 -0.02 0.00 0.00 57.16 57.21 1uit n GLU 19 Cb 0.21 -1.07 -0.03 0.00 -0.02 0.00 0.00 31.44 30.54 1uit n GLU 19 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1uit s PRO 20 N -1.69 4.49 0.47 3.49 0.04 -1.26 -4.72 135.00 135.81 1uit s PRO 20 Ca 0.48 1.73 0.07 0.00 0.04 0.00 0.00 61.00 63.32 1uit s PRO 20 Cb -0.31 -3.33 -0.01 0.00 0.04 0.00 0.00 34.50 30.88 1uit s PRO 20 CO 0.75 -0.15 0.32 -0.98 0.04 0.00 0.00 177.00 176.98 1uit s ARG 21 N 0.63 2.33 -0.38 4.56 1.70 -0.58 -4.99 118.95 122.21 1uit s ARG 21 Ca 0.55 -1.83 0.02 0.00 -0.47 0.00 0.00 55.73 54.00 1uit s ARG 21 Cb -0.29 -2.13 0.11 0.00 -0.57 0.00 0.00 34.95 32.07 1uit s ARG 21 CO 0.31 -0.34 0.14 -1.01 -1.08 0.00 0.00 175.30 173.32 1uit s HIS 22 N -2.63 2.58 -0.19 5.89 3.76 -1.26 -2.89 115.29 120.54 1uit s HIS 22 Ca 0.40 -2.47 -0.22 0.00 -0.15 0.00 0.00 55.06 52.61 1uit s HIS 22 Cb -0.01 -2.26 -0.02 0.00 1.11 0.00 0.00 32.58 31.40 1uit s HIS 22 CO 0.23 -0.86 0.68 0.08 -0.85 0.00 0.00 174.74 174.03 1uit s VAL 23 N 0.84 4.98 0.29 -0.90 1.01 0.13 -4.86 120.40 121.88 1uit s VAL 23 Ca 0.13 1.30 -0.08 0.00 0.00 0.00 0.00 61.98 63.33 1uit s VAL 23 Cb -0.21 -3.99 -0.06 0.00 0.00 0.00 0.00 36.38 32.12 1uit s VAL 23 CO -0.10 0.08 0.59 -0.54 0.00 0.00 0.00 175.10 175.13 1uit s LYS 24 N 2.02 3.73 -0.03 2.72 1.02 -1.26 0.84 119.74 128.77 1uit s LYS 24 Ca 0.31 0.20 0.01 0.00 0.02 0.00 0.00 55.97 56.52 1uit s LYS 24 Cb -0.16 -2.60 0.01 0.00 -0.52 0.00 0.00 37.83 34.57 1uit s LYS 24 CO 0.11 0.21 -0.05 0.08 -0.92 0.00 0.00 175.35 174.77 1uit s VAL 25 N -2.03 0.53 -0.94 3.17 1.01 0.14 -4.75 120.40 117.53 1uit s VAL 25 Ca 0.47 -0.17 -0.01 0.00 0.00 0.00 0.00 61.98 62.27 1uit s VAL 25 Cb -0.11 -0.53 0.29 0.00 0.00 0.00 0.00 36.38 36.04 1uit s VAL 25 CO 0.27 0.20 1.25 0.00 0.00 0.00 0.00 175.10 176.82 1uit n GLN 26 N 3.71 3.87 0.00 2.72 6.02 -1.26 -1.34 117.38 131.10 1uit n GLN 26 Ca -0.22 -4.60 0.00 0.00 -0.01 0.00 0.00 57.00 52.17 1uit n GLN 26 Cb 0.53 -2.43 0.00 0.00 1.02 0.00 0.00 30.24 29.35 1uit n GLN 26 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1uit n LYS 27 N 1.18 0.00 -1.90 -1.09 4.76 0.16 -4.94 118.16 116.33 1uit n LYS 27 Ca 0.27 0.39 -0.03 0.00 -2.87 0.00 0.00 58.31 56.06 1uit n LYS 27 Cb 0.36 -1.13 0.02 0.00 -1.84 0.00 0.00 35.03 32.44 1uit n LYS 27 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1uit n GLY 28 N -0.82 0.45 2.77 0.72 0.00 0.74 -4.05 105.19 104.99 1uit n GLY 28 Ca 0.00 -0.09 -0.15 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.89 -4.68 -3.90 1.61 7.64 -1.26 -5.02 113.62 106.12 1uit n SER 29 Ca -0.02 -0.32 -0.09 0.00 1.01 0.00 0.00 58.87 59.46 1uit n SER 29 Cb 0.53 -3.28 -0.08 0.00 -1.01 0.00 0.00 64.21 60.37 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 -5.77 0.78 0.00 1.43 0.41 -1.26 -5.16 118.70 109.13 1uit s GLU 30 Ca 0.35 -0.97 0.00 0.00 -0.41 0.00 0.00 54.97 53.94 1uit s GLU 30 Cb -0.15 0.31 0.00 0.00 -1.78 0.00 0.00 34.13 32.50 1uit s GLU 30 CO 0.43 -0.23 0.00 -0.35 -0.49 0.00 0.00 175.26 174.63 1uit n PRO 31 N 0.06 -0.34 -0.10 0.39 -0.04 -1.26 -4.79 135.00 128.93 1uit n PRO 31 Ca -0.15 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.12 1uit n PRO 31 Cb 0.62 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 34.00 1uit n PRO 31 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1uit n LEU 32 N 0.00 1.91 -2.10 1.53 7.94 -1.26 -4.48 117.00 120.53 1uit n LEU 32 Ca 0.00 0.14 -0.02 0.00 -1.11 0.00 0.00 56.01 55.02 1uit n LEU 32 Cb 0.00 -0.62 0.01 0.00 0.53 0.00 0.00 43.42 43.34 1uit n LEU 32 CO 0.00 0.54 0.08 0.61 -1.11 0.00 0.00 177.39 177.52 1uit n GLY 33 N 1.99 -0.33 3.16 -3.96 0.00 -1.26 -1.25 105.19 103.54 1uit n GLY 33 Ca -0.38 0.04 -0.13 0.00 0.00 0.00 0.00 46.02 45.56 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 -3.06 0.03 -0.02 -0.61 -4.36 -1.26 -2.01 121.20 109.91 1uit s ILE 34 Ca 0.07 -0.22 -0.04 0.00 -0.26 0.00 0.00 60.65 60.20 1uit s ILE 34 Cb -0.01 -0.43 -0.04 0.00 1.25 0.00 0.00 42.46 43.22 1uit s ILE 34 CO 0.27 -0.12 0.20 -0.55 0.24 0.00 0.00 174.94 174.98 1uit s SER 35 N -0.44 6.40 0.10 4.36 0.15 0.10 -4.95 113.70 119.43 1uit s SER 35 Ca -0.05 0.40 0.03 0.00 0.70 0.00 0.00 55.95 57.03 1uit s SER 35 Cb -0.04 -2.03 -0.04 0.00 -1.71 0.00 0.00 66.02 62.21 1uit s SER 35 CO 0.01 0.28 -0.08 0.27 1.20 0.00 0.00 173.24 174.92 1uit s ILE 36 N -1.29 0.84 -0.03 6.45 -5.25 -1.26 0.57 121.20 121.24 1uit s ILE 36 Ca 0.26 -1.82 -0.14 0.00 -0.99 0.00 0.00 60.65 57.97 1uit s ILE 36 Cb -0.13 -1.55 0.02 0.00 2.95 0.00 0.00 42.46 43.76 1uit s ILE 36 CO 0.17 -0.73 0.30 0.68 -1.79 0.00 0.00 174.94 173.57 1uit s VAL 37 N -3.08 0.05 0.00 8.37 -7.23 0.14 -4.72 120.40 113.94 1uit s VAL 37 Ca 0.09 -0.42 -0.02 0.00 -1.81 0.00 0.00 61.98 59.83 1uit s VAL 37 Cb 0.01 -0.58 -0.04 0.00 0.56 0.00 0.00 36.38 36.34 1uit s VAL 37 CO -0.02 -0.23 0.16 -0.55 -0.31 0.00 0.00 175.10 174.15 1uit s SER 38 N -1.12 6.17 0.02 4.85 0.15 -1.26 -1.61 113.70 120.90 1uit s SER 38 Ca -0.12 0.27 0.00 0.00 0.70 0.00 0.00 55.95 56.81 1uit s SER 38 Cb -0.05 -1.89 0.00 0.00 -1.71 0.00 0.00 66.02 62.37 1uit s SER 38 CO 0.03 0.25 0.00 0.61 1.20 0.00 0.00 173.24 175.33 1uit n GLY 39 N 0.89 1.70 2.81 9.45 0.00 -1.24 -4.91 105.19 113.89 1uit n GLY 39 Ca -0.10 -2.03 -0.28 0.00 0.00 0.00 0.00 46.02 43.61 1uit n GLY 39 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1uit n GLU 40 N -0.21 1.73 -2.92 1.61 2.13 -1.26 -3.88 120.64 117.83 1uit n GLU 40 Ca 0.00 -1.52 -0.11 0.00 0.66 0.00 0.00 57.16 56.19 1uit n GLU 40 Cb 0.00 -2.58 0.05 0.00 0.27 0.00 0.00 31.44 29.17 1uit n GLU 40 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1uit n LYS 41 N 5.26 -3.96 0.00 5.31 0.00 -1.26 -5.02 118.16 118.48 1uit n LYS 41 Ca 0.43 0.46 0.00 0.00 0.00 0.00 0.00 58.31 59.21 1uit n LYS 41 Cb 0.22 -4.36 0.00 0.00 0.00 0.00 0.00 35.03 30.89 1uit n LYS 41 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1uit n GLY 42 N -1.18 1.63 0.00 3.14 0.00 -1.25 -5.12 105.19 102.41 1uit n GLY 42 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 5.00 2.81 3.30 -0.02 0.00 -1.25 -4.55 105.19 110.48 1uit n GLY 43 Ca 0.00 -1.95 -0.32 0.00 0.00 0.00 0.00 46.02 43.75 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 2.37 2.37 0.05 -0.61 -1.09 -1.26 -3.68 121.20 119.34 1uit s ILE 44 Ca 0.00 -0.93 0.09 0.00 -2.23 0.00 0.00 60.65 57.57 1uit s ILE 44 Cb 0.00 -1.91 -0.03 0.00 -1.58 0.00 0.00 42.46 38.94 1uit s ILE 44 CO 0.00 0.56 -0.25 -0.31 -1.23 0.00 0.00 174.94 173.71 1uit s TYR 45 N -0.00 2.17 -0.10 3.97 2.02 -0.64 -2.26 117.35 122.52 1uit s TYR 45 Ca -0.07 -0.40 -0.30 0.00 -0.37 0.00 0.00 57.07 55.93 1uit s TYR 45 Cb -0.15 -1.30 -0.03 0.00 -0.40 0.00 0.00 41.96 40.09 1uit s TYR 45 CO 0.05 0.12 1.25 0.08 -1.57 0.00 0.00 175.55 175.48 1uit s VAL 46 N -0.81 4.22 -0.90 0.71 1.01 -1.24 -0.68 120.40 122.70 1uit s VAL 46 Ca 0.11 1.52 0.23 0.00 0.00 0.00 0.00 61.98 63.83 1uit s VAL 46 Cb -0.10 -3.98 -0.13 0.00 0.00 0.00 0.00 36.38 32.18 1uit s VAL 46 CO 0.02 -0.06 1.09 -0.24 0.00 0.00 0.00 175.10 175.91 1uit n SER 47 N 5.82 0.73 0.00 3.32 2.88 0.19 -2.54 113.62 124.02 1uit n SER 47 Ca 0.12 -0.56 0.00 0.00 -1.33 0.00 0.00 58.87 57.10 1uit n SER 47 Cb 0.45 0.73 0.00 0.00 -0.75 0.00 0.00 64.21 64.64 1uit n SER 47 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1uit n LYS 48 N -1.61 -1.18 -3.04 -1.46 4.81 -1.20 -4.87 118.16 109.61 1uit n LYS 48 Ca 0.04 0.00 -0.15 0.00 -0.87 0.00 0.00 58.31 57.33 1uit n LYS 48 Cb 0.36 0.00 0.01 0.00 0.02 0.00 0.00 35.03 35.42 1uit n LYS 48 CO 0.00 0.00 0.00 1.55 1.17 0.00 0.00 177.40 180.12 1uit n VAL 49 N -0.17 -0.13 0.00 3.15 3.14 -1.26 -0.72 118.33 122.35 1uit n VAL 49 Ca 0.00 -3.53 0.00 0.00 -2.96 0.00 0.00 64.34 57.85 1uit n VAL 49 Cb 0.00 0.28 0.00 0.00 -1.06 0.00 0.00 33.84 33.06 1uit n VAL 49 CO 0.00 0.00 0.00 0.41 -6.46 0.00 0.00 176.83 170.78 1uit n THR 50 N 0.36 0.00 -3.47 1.55 -1.04 -0.85 -4.42 114.28 106.40 1uit n THR 50 Ca 0.19 0.00 0.01 0.00 -2.04 0.00 0.00 64.05 62.20 1uit n THR 50 Cb 0.67 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 69.15 1uit n THR 50 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1uit s VAL 51 N 0.00 -0.94 0.00 12.58 1.01 -1.26 -4.88 120.40 126.90 1uit s VAL 51 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61.98 61.98 1uit s VAL 51 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.38 1uit s VAL 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.71 1uit n GLY 52 N 5.41 0.50 3.89 4.51 0.00 -1.26 -4.99 105.19 113.25 1uit n GLY 52 Ca -0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.64 1uit n GLY 52 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1uit s SER 53 N -2.34 5.18 0.15 1.61 0.15 -1.26 -4.68 113.70 112.52 1uit s SER 53 Ca 0.00 1.04 -0.22 0.00 0.70 0.00 0.00 55.95 57.47 1uit s SER 53 Cb 0.00 -1.75 0.03 0.00 -1.71 0.00 0.00 66.02 62.59 1uit s SER 53 CO 0.00 -1.50 1.29 -0.38 1.20 0.00 0.00 173.24 173.85 1uit n ILE 54 N -3.10 -0.53 -0.11 6.45 2.08 -1.24 0.60 119.36 123.52 1uit n ILE 54 Ca 0.07 2.01 -0.13 0.00 0.56 0.00 0.00 62.75 65.26 1uit n ILE 54 Cb 0.58 -2.54 -0.09 0.00 -0.75 0.00 0.00 39.64 36.85 1uit n ILE 54 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1uit h ALA 55 N 0.67 -0.74 -0.90 -1.39 0.00 -1.45 0.86 119.26 116.32 1uit h ALA 55 Ca 0.19 -0.00 0.23 0.00 0.00 0.00 0.00 54.91 55.33 1uit h ALA 55 Cb 0.40 1.07 -0.13 0.00 0.00 0.00 0.00 17.79 19.12 1uit h ALA 55 CO -0.80 -1.03 0.36 1.25 0.00 0.00 0.00 179.25 179.03 1uit h HIS 56 N -0.42 0.59 -0.05 0.00 -0.00 -0.05 1.28 115.15 116.50 1uit h HIS 56 Ca 0.08 0.04 -0.09 0.00 -0.00 0.00 0.00 60.37 60.40 1uit h HIS 56 Cb 0.61 -0.12 -0.01 0.00 -0.00 0.00 0.00 27.41 27.89 1uit h HIS 56 CO -0.68 -0.10 -0.40 1.96 -0.00 0.00 0.00 177.93 178.71 1uit h GLN 57 N 0.34 0.10 -0.52 5.26 4.20 0.29 -2.73 115.11 122.06 1uit h GLN 57 Ca 0.57 -0.04 -0.11 0.00 0.06 0.00 0.00 58.65 59.12 1uit h GLN 57 Cb 1.11 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.87 1uit h GLN 57 CO -0.56 0.48 -0.12 0.00 -0.67 0.00 0.00 178.83 177.96 1uit h ALA 58 N 1.51 0.71 0.00 3.87 0.00 0.81 -3.48 119.26 122.70 1uit h ALA 58 Ca 0.01 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1uit h ALA 58 Cb 0.74 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1uit h ALA 58 CO 0.06 0.63 0.00 0.41 0.00 0.00 0.00 179.25 180.35 1uit n GLY 59 N -0.24 0.70 2.64 0.00 0.00 0.32 -4.85 105.19 103.76 1uit n GLY 59 Ca 0.01 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.88 1uit n GLY 59 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1uit n LEU 60 N 0.00 0.00 -3.57 0.99 4.77 -1.21 -5.06 117.00 112.92 1uit n LEU 60 Ca 0.00 -1.49 -0.07 0.00 -0.03 0.00 0.00 56.01 54.42 1uit n LEU 60 Cb 0.00 -0.41 -0.02 0.00 -2.33 0.00 0.00 43.42 40.67 1uit n LEU 60 CO 0.00 -0.79 0.72 -1.83 -1.33 0.00 0.00 177.39 174.16 1uit s GLU 61 N -4.13 0.87 0.45 3.23 -1.05 -1.26 -4.93 118.70 111.87 1uit s GLU 61 Ca 0.44 -0.37 -0.21 0.00 -0.15 0.00 0.00 54.97 54.67 1uit s GLU 61 Cb -0.03 0.37 -0.09 0.00 -0.44 0.00 0.00 34.13 33.93 1uit s GLU 61 CO 0.29 -0.39 1.01 -0.47 0.95 0.00 0.00 175.26 176.65 1uit s TYR 62 N -3.10 3.17 0.00 4.83 6.14 -1.26 -3.32 117.35 123.80 1uit s TYR 62 Ca 0.07 1.61 0.00 0.00 0.64 0.00 0.00 57.07 59.39 1uit s TYR 62 Cb -0.01 -3.01 0.00 0.00 0.42 0.00 0.00 41.96 39.36 1uit s TYR 62 CO -0.06 -0.54 0.00 0.41 0.64 0.00 0.00 175.55 176.00 1uit n GLY 63 N -0.21 1.96 3.58 8.97 0.00 -1.05 -4.99 105.19 113.44 1uit n GLY 63 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 1uit n GLY 63 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1uit s ASP 64 N -2.84 6.14 0.19 1.61 1.11 -1.21 -4.50 116.67 117.17 1uit s ASP 64 Ca 0.00 0.36 -0.31 0.00 0.18 0.00 0.00 52.55 52.78 1uit s ASP 64 Cb 0.00 -2.54 -0.10 0.00 1.07 0.00 0.00 42.92 41.35 1uit s ASP 64 CO 0.00 -1.69 1.47 -1.58 1.18 0.00 0.00 175.17 174.55 1uit s GLN 65 N 5.47 4.27 -0.74 8.23 -0.44 -1.26 -3.69 119.66 131.49 1uit s GLN 65 Ca 0.54 2.26 -0.20 0.00 -2.50 0.00 0.00 55.36 55.46 1uit s GLN 65 Cb -0.11 -3.16 0.11 0.00 -1.64 0.00 0.00 33.01 28.21 1uit s GLN 65 CO 0.26 -0.48 0.94 -0.51 0.50 0.00 0.00 175.29 176.00 1uit s LEU 66 N 0.44 5.01 0.03 3.68 1.43 -0.96 -2.87 118.68 125.44 1uit s LEU 66 Ca 0.64 -1.56 -0.28 0.00 -1.03 0.00 0.00 54.13 51.90 1uit s LEU 66 Cb -0.41 -2.37 -0.16 0.00 0.03 0.00 0.00 46.19 43.27 1uit s LEU 66 CO 0.36 -1.18 1.28 -0.07 0.23 0.00 0.00 176.35 176.97 1uit h LEU 67 N 10.47 -0.68 -7.83 1.79 3.38 -1.53 -3.36 115.31 117.55 1uit h LEU 67 Ca -0.12 -0.03 -0.17 0.00 0.09 0.00 0.00 57.88 57.65 1uit h LEU 67 Cb 1.06 0.18 -0.22 0.00 0.09 0.00 0.00 40.66 41.76 1uit h LEU 67 CO 1.11 -0.34 -0.61 -1.61 0.09 0.00 0.00 178.44 177.08 1uit s GLU 68 N -5.03 0.33 -0.46 1.13 8.01 -1.20 -2.91 118.70 118.58 1uit s GLU 68 Ca -0.15 -0.40 -0.07 0.00 0.01 0.00 0.00 54.97 54.36 1uit s GLU 68 Cb 0.02 0.13 0.12 0.00 -4.31 0.00 0.00 34.13 30.09 1uit s GLU 68 CO 0.51 -0.07 0.31 0.12 0.01 0.00 0.00 175.26 176.14 1uit s PHE 69 N -1.15 3.49 -0.46 1.61 2.19 -0.96 -0.80 117.98 121.89 1uit s PHE 69 Ca -0.13 -2.10 0.00 0.00 0.33 0.00 0.00 56.93 55.04 1uit s PHE 69 Cb -0.07 -3.40 0.00 0.00 -1.31 0.00 0.00 43.02 38.23 1uit s PHE 69 CO 0.00 -0.98 0.00 0.27 1.83 0.00 0.00 175.22 176.34 1uit n ASN 70 N 4.73 -1.88 -0.16 6.13 0.23 0.28 -1.32 115.26 123.26 1uit n ASN 70 Ca -0.05 0.29 0.00 0.00 -0.53 0.00 0.00 54.58 54.29 1uit n ASN 70 Cb 0.41 -1.80 0.00 0.00 -2.08 0.00 0.00 39.78 36.31 1uit n ASN 70 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1uit n GLY 71 N -0.44 0.73 2.76 4.83 0.00 -1.26 -4.89 105.19 106.91 1uit n GLY 71 Ca -0.06 -0.46 -0.17 0.00 0.00 0.00 0.00 46.02 45.33 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 -1.74 -0.37 -0.40 -0.61 1.01 -0.44 -5.10 121.20 113.55 1uit s ILE 72 Ca 0.00 -0.23 -0.45 0.00 0.00 0.00 0.00 60.65 59.96 1uit s ILE 72 Cb 0.00 -0.79 -0.20 0.00 0.01 0.00 0.00 42.46 41.49 1uit s ILE 72 CO 0.00 -0.29 1.53 -3.20 0.00 0.00 0.00 174.94 172.98 1uit n ASN 73 N 5.32 1.10 -0.01 3.58 2.85 -1.26 -2.26 115.26 124.58 1uit n ASN 73 Ca -0.04 1.18 -0.02 0.00 -0.11 0.00 0.00 54.58 55.59 1uit n ASN 73 Cb 0.48 -0.91 -0.01 0.00 1.24 0.00 0.00 39.78 40.59 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 3.69 2.32 -0.16 1.20 4.77 -1.15 -4.34 117.00 123.34 1uit n LEU 74 Ca 0.29 -0.00 0.28 0.00 -0.03 0.00 0.00 56.01 56.55 1uit n LEU 74 Cb -0.02 -0.07 0.61 0.00 -2.33 0.00 0.00 43.42 41.61 1uit n LEU 74 CO 0.85 0.42 1.26 0.03 -1.33 0.00 0.00 177.39 178.61 1uit h ARG 75 N -0.02 0.00 -0.45 3.23 3.08 -1.69 1.36 114.38 119.90 1uit h ARG 75 Ca -0.04 0.00 -0.33 0.00 0.07 0.00 0.00 59.98 59.67 1uit h ARG 75 Cb 1.06 0.00 -0.30 0.00 0.08 0.00 0.00 29.97 30.81 1uit h ARG 75 CO -0.01 0.00 -0.78 0.43 -1.07 0.00 0.00 179.97 178.54 1uit n SER 76 N -3.56 3.35 -4.77 7.04 7.64 -1.26 -3.79 113.62 118.26 1uit n SER 76 Ca 0.20 -3.47 -0.22 0.00 1.01 0.00 0.00 58.87 56.38 1uit n SER 76 Cb 1.22 -0.41 -0.05 0.00 -1.01 0.00 0.00 64.21 63.96 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 -3.29 3.57 0.05 -0.43 0.00 0.47 -5.08 121.76 117.05 1uit s ALA 77 Ca 0.43 -1.71 0.03 0.00 0.00 0.00 0.00 51.96 50.71 1uit s ALA 77 Cb 0.39 -0.93 -0.04 0.00 0.00 0.00 0.00 23.12 22.54 1uit s ALA 77 CO -0.01 0.07 0.02 0.95 0.00 0.00 0.00 175.76 176.78 1uit s THR 78 N -2.35 4.18 0.32 0.00 -4.23 -1.26 -4.74 115.64 107.56 1uit s THR 78 Ca 0.37 -0.77 0.09 0.00 -1.18 0.00 0.00 61.69 60.20 1uit s THR 78 Cb -0.04 -2.94 0.34 0.00 1.34 0.00 0.00 72.50 71.20 1uit s THR 78 CO 0.24 0.23 1.63 1.05 -0.54 0.00 0.00 174.62 177.23 1uit h GLU 79 N 3.81 0.18 -0.88 3.99 4.11 -1.93 1.33 114.58 125.19 1uit h GLU 79 Ca -0.48 -0.01 -0.00 0.00 0.07 0.00 0.00 59.36 58.94 1uit h GLU 79 Cb 1.17 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 30.34 1uit h GLU 79 CO 0.60 0.12 0.54 -0.56 0.07 0.00 0.00 179.01 179.78 1uit h GLN 80 N 0.18 1.19 0.11 1.06 3.07 -1.98 -0.36 115.11 118.38 1uit h GLN 80 Ca 0.67 -0.10 -0.01 0.00 0.09 0.00 0.00 58.65 59.30 1uit h GLN 80 Cb 1.50 -0.25 0.00 0.00 0.08 0.00 0.00 27.48 28.81 1uit h GLN 80 CO -0.70 0.83 -0.05 1.96 0.09 0.00 0.00 178.83 180.95 1uit h GLN 81 N 1.21 -0.15 -0.26 0.06 7.50 0.11 -2.95 115.11 120.63 1uit h GLN 81 Ca 0.32 0.01 0.05 0.00 0.50 0.00 0.00 58.65 59.53 1uit h GLN 81 Cb -0.07 0.03 -0.08 0.00 0.05 0.00 0.00 27.48 27.42 1uit h GLN 81 CO -0.06 0.31 -0.48 0.00 -1.50 0.00 0.00 178.83 177.09 1uit h ALA 82 N 0.08 -0.66 -0.88 3.87 0.00 -0.07 1.70 119.26 123.31 1uit h ALA 82 Ca -0.02 0.00 0.25 0.00 0.00 0.00 0.00 54.91 55.15 1uit h ALA 82 Cb 0.52 0.94 -0.04 0.00 0.00 0.00 0.00 17.79 19.21 1uit h ALA 82 CO 0.03 -0.98 0.74 0.00 0.00 0.00 0.00 179.25 179.04 1uit h ARG 83 N -0.45 0.00 0.00 0.00 3.08 -1.13 1.22 114.38 117.09 1uit h ARG 83 Ca 0.08 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 60.03 1uit h ARG 83 Cb 0.63 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.66 1uit h ARG 83 CO -0.50 0.00 -0.59 -0.07 -1.07 0.00 0.00 179.97 177.75 1uit h LEU 84 N 0.00 0.00 -0.79 3.04 3.38 0.68 -1.23 115.31 120.39 1uit h LEU 84 Ca 0.42 -0.60 0.09 0.00 0.09 0.00 0.00 57.88 57.88 1uit h LEU 84 Cb 1.90 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 42.58 1uit h LEU 84 CO -0.00 1.14 0.44 0.40 0.09 0.00 0.00 178.44 180.51 1uit h ILE 85 N -1.00 0.91 -0.01 1.22 2.04 0.43 0.68 117.51 121.78 1uit h ILE 85 Ca -0.15 -0.26 -0.18 0.00 1.00 0.00 0.00 64.86 65.28 1uit h ILE 85 Cb 0.99 0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 1uit h ILE 85 CO -0.09 0.14 -0.79 0.16 0.00 0.00 0.00 178.15 177.56 1uit h ILE 86 N 0.75 1.49 -0.67 -0.67 3.07 0.12 -3.10 117.51 118.50 1uit h ILE 86 Ca 0.38 -2.49 -0.41 0.00 1.55 0.00 0.00 64.86 63.88 1uit h ILE 86 Cb 0.34 2.36 -0.20 0.00 -0.27 0.00 0.00 36.82 39.05 1uit h ILE 86 CO -0.24 0.72 0.53 0.61 -1.05 0.00 0.00 178.15 178.72 1uit n GLY 87 N 0.70 4.33 0.96 0.16 0.00 0.07 -4.49 105.19 106.91 1uit n GLY 87 Ca -0.03 -1.22 -0.05 0.00 0.00 0.00 0.00 46.02 44.72 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 -0.31 0.53 -3.97 1.61 6.02 -0.23 -4.86 117.38 116.16 1uit n GLN 88 Ca 0.41 -0.69 -0.34 0.00 -0.01 0.00 0.00 57.00 56.37 1uit n GLN 88 Cb 0.88 -0.14 -0.15 0.00 1.02 0.00 0.00 30.24 31.85 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 -2.97 3.13 -0.30 -1.09 1.03 -1.26 -4.94 119.66 113.26 1uit s GLN 89 Ca 0.16 -0.77 -0.06 0.00 0.04 0.00 0.00 55.36 54.73 1uit s GLN 89 Cb -0.01 -2.90 0.19 0.00 0.03 0.00 0.00 33.01 30.32 1uit s GLN 89 CO 0.11 -0.26 0.84 0.00 -2.54 0.00 0.00 175.29 173.44 1uit n ASP 91 N 5.37 0.07 -3.72 0.00 8.00 -1.26 -3.71 116.55 121.31 1uit n ASP 91 Ca 0.01 1.62 -0.26 0.00 0.71 0.00 0.00 54.79 56.87 1uit n ASP 91 Cb 0.54 -0.67 -0.17 0.00 -0.02 0.00 0.00 41.12 40.80 1uit n ASP 91 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1uit s THR 92 N -5.75 0.36 0.04 -3.53 2.01 -1.26 0.39 115.64 107.89 1uit s THR 92 Ca -0.11 -0.33 0.08 0.00 0.31 0.00 0.00 61.69 61.65 1uit s THR 92 Cb 0.30 -0.83 -0.03 0.00 0.01 0.00 0.00 72.50 71.96 1uit s THR 92 CO 0.75 -0.13 -0.23 -0.51 -0.69 0.00 0.00 174.62 173.82 1uit s ILE 93 N 1.94 2.40 0.22 1.82 -1.16 -0.45 -4.93 121.20 121.03 1uit s ILE 93 Ca 0.01 -1.28 0.07 0.00 -0.51 0.00 0.00 60.65 58.94 1uit s ILE 93 Cb -0.16 -1.96 -0.04 0.00 0.61 0.00 0.00 42.46 40.92 1uit s ILE 93 CO -0.08 0.37 0.08 -0.89 -2.81 0.00 0.00 174.94 171.62 1uit s THR 94 N -0.84 3.99 0.04 4.00 2.01 -1.26 0.25 115.64 123.83 1uit s THR 94 Ca 0.13 -1.48 0.04 0.00 0.31 0.00 0.00 61.69 60.68 1uit s THR 94 Cb -0.10 -3.09 -0.02 0.00 0.01 0.00 0.00 72.50 69.30 1uit s THR 94 CO 0.03 -0.24 -0.11 -0.63 -0.69 0.00 0.00 174.62 172.98 1uit s ILE 95 N -1.99 0.82 -0.66 1.82 1.01 0.25 0.98 121.20 123.43 1uit s ILE 95 Ca 0.30 -1.02 0.02 0.00 0.00 0.00 0.00 60.65 59.96 1uit s ILE 95 Cb -0.08 -0.80 0.16 0.00 0.01 0.00 0.00 42.46 41.75 1uit s ILE 95 CO 0.21 -0.18 0.46 -0.22 0.00 0.00 0.00 174.94 175.21 1uit s LEU 96 N -1.33 4.87 0.73 2.97 2.96 0.02 0.19 118.68 129.08 1uit s LEU 96 Ca -0.03 -3.39 -0.07 0.00 -0.22 0.00 0.00 54.13 50.42 1uit s LEU 96 Cb -0.08 -1.72 0.09 0.00 0.50 0.00 0.00 46.19 44.97 1uit s LEU 96 CO 0.01 -0.20 1.04 0.00 -1.32 0.00 0.00 176.35 175.88 1uit s ALA 97 N -0.83 3.15 -0.41 5.97 0.00 -1.14 -1.33 121.76 127.17 1uit s ALA 97 Ca 0.21 -1.10 -0.01 0.00 0.00 0.00 0.00 51.96 51.06 1uit s ALA 97 Cb -0.15 -2.51 0.20 0.00 0.00 0.00 0.00 23.12 20.67 1uit s ALA 97 CO -0.08 -1.45 0.95 -1.14 0.00 0.00 0.00 175.76 174.04 1uit s GLN 98 N -5.29 0.56 0.12 0.00 0.74 -1.14 -1.53 119.66 113.12 1uit s GLN 98 Ca 0.63 -0.56 -0.26 0.00 0.05 0.00 0.00 55.36 55.22 1uit s GLN 98 Cb -0.09 -0.03 -0.15 0.00 1.10 0.00 0.00 33.01 33.85 1uit s GLN 98 CO 0.45 -0.70 0.57 0.98 -0.55 0.00 0.00 175.29 176.05 1uit n TYR 99 N 2.74 -0.12 -3.81 1.67 4.19 -1.26 -4.45 117.16 116.13 1uit n TYR 99 Ca 0.14 0.83 -0.26 0.00 3.31 0.00 0.00 57.90 61.92 1uit n TYR 99 Cb 0.61 -1.67 -0.17 0.00 0.49 0.00 0.00 39.34 38.61 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 -0.58 2.32 -0.54 2.98 -0.87 -1.26 -3.88 114.94 113.12 1uit s ASN 100 Ca 0.60 -0.45 -0.06 0.00 -1.57 0.00 0.00 52.86 51.38 1uit s ASN 100 Cb -0.86 -0.65 -0.14 0.00 -0.02 0.00 0.00 41.25 39.58 1uit s ASN 100 CO 0.47 -0.21 2.68 -0.81 -2.57 0.00 0.00 177.10 176.66 1uit n PRO 101 N 5.03 2.07 -2.70 -0.60 -0.04 -1.26 -3.74 135.00 133.76 1uit n PRO 101 Ca -0.09 -1.20 -0.06 0.00 -0.04 0.00 0.00 63.50 62.10 1uit n PRO 101 Cb 0.49 -2.19 0.09 0.00 -0.04 0.00 0.00 33.50 31.84 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 3.20 -1.76 -3.88 0.54 -0.00 -1.26 -5.13 115.22 106.93 1uit n HIS 102 Ca 0.44 -1.50 -0.18 0.00 0.46 0.00 0.00 57.72 56.94 1uit n HIS 102 Cb 0.46 1.44 -0.17 0.00 -0.12 0.00 0.00 29.99 31.60 1uit n HIS 102 CO 0.00 0.00 0.00 0.08 0.46 0.00 0.00 176.34 176.88 1uit s VAL 103 N 0.16 0.19 -0.30 3.57 1.01 -1.25 -5.12 120.40 118.67 1uit s VAL 103 Ca 0.20 0.12 -0.16 0.00 0.00 0.00 0.00 61.98 62.14 1uit s VAL 103 Cb 0.28 -0.31 0.18 0.00 0.00 0.00 0.00 36.38 36.54 1uit s VAL 103 CO -0.10 0.17 1.14 -2.28 0.00 0.00 0.00 175.10 174.03 1uit s HIS 104 N 1.29 -0.30 -0.27 5.22 2.46 -1.26 -5.11 115.29 117.33 1uit s HIS 104 Ca -0.06 0.58 -0.02 0.00 0.47 0.00 0.00 55.06 56.03 1uit s HIS 104 Cb -0.13 0.18 0.12 0.00 -0.13 0.00 0.00 32.58 32.62 1uit s HIS 104 CO -0.02 -0.15 0.25 -0.65 -2.47 0.00 0.00 174.74 171.70 1uit s GLN 105 N 1.42 0.27 0.26 2.88 -0.21 -1.26 -5.12 119.66 117.90 1uit s GLN 105 Ca -0.07 -0.12 0.00 0.00 0.02 0.00 0.00 55.36 55.19 1uit s GLN 105 Cb -0.03 -0.86 0.00 0.00 1.00 0.00 0.00 33.01 33.12 1uit s GLN 105 CO -0.13 -0.94 0.00 1.28 -2.12 0.00 0.00 175.29 173.38 1uit n LEU 106 N 5.30 -0.51 -1.23 2.90 4.77 -1.26 -4.99 117.00 121.98 1uit n LEU 106 Ca -0.04 1.14 0.06 0.00 -0.03 0.00 0.00 56.01 57.15 1uit n LEU 106 Cb 0.46 -3.27 -0.03 0.00 -2.33 0.00 0.00 43.42 38.25 1uit n LEU 106 CO 0.03 -2.37 -0.45 -1.20 -1.33 0.00 0.00 177.39 172.06 1uit n SER 107 N -4.32 -6.67 -2.37 -1.43 7.64 -1.26 -5.00 113.62 100.22 1uit n SER 107 Ca -0.01 1.39 -0.02 0.00 1.01 0.00 0.00 58.87 61.24 1uit n SER 107 Cb 0.62 -4.00 -0.02 0.00 -1.01 0.00 0.00 64.21 59.80 1uit n SER 107 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1uit n SER 108 N -3.06 -3.87 -3.67 6.43 2.88 -1.26 -5.09 113.62 105.98 1uit n SER 108 Ca -0.03 1.05 -0.02 0.00 -1.33 0.00 0.00 58.87 58.53 1uit n SER 108 Cb 0.47 -4.23 -0.01 0.00 -0.75 0.00 0.00 64.21 59.68 1uit n SER 108 CO 0.00 0.00 0.00 -1.38 -1.23 0.00 0.00 175.04 172.43 1uit s HIS 109 N -0.89 -0.11 -0.35 0.66 -0.00 -1.26 -5.11 115.29 108.22 1uit s HIS 109 Ca -0.10 -0.08 -0.12 0.00 -0.00 0.00 0.00 55.06 54.76 1uit s HIS 109 Cb 0.01 0.59 0.01 0.00 -0.00 0.00 0.00 32.58 33.18 1uit s HIS 109 CO 0.59 -0.55 0.21 0.45 -0.00 0.00 0.00 174.74 175.45 1uit s SER 110 N -2.87 5.81 0.33 7.38 0.15 -1.26 -5.08 113.70 118.16 1uit s SER 110 Ca 0.12 -0.70 0.07 0.00 0.70 0.00 0.00 55.95 56.14 1uit s SER 110 Cb 0.01 -2.06 -0.01 0.00 -1.71 0.00 0.00 66.02 62.25 1uit s SER 110 CO -0.01 -0.30 0.45 0.00 1.20 0.00 0.00 173.24 174.58 1uit s ARG 111 N 1.63 3.09 0.03 5.44 1.70 -1.26 -5.13 118.95 124.45 1uit s ARG 111 Ca 0.04 -1.04 0.04 0.00 -0.47 0.00 0.00 55.73 54.31 1uit s ARG 111 Cb -0.18 -2.79 -0.02 0.00 -0.57 0.00 0.00 34.95 31.39 1uit s ARG 111 CO 0.08 0.07 -0.12 0.45 -1.08 0.00 0.00 175.30 174.70 1uit s SER 112 N -4.16 1.43 0.02 -2.89 0.15 -1.26 -5.15 113.70 101.85 1uit s SER 112 Ca 0.45 -0.39 -0.27 0.00 0.70 0.00 0.00 55.95 56.43 1uit s SER 112 Cb -0.09 -0.10 0.09 0.00 -1.71 0.00 0.00 66.02 64.21 1uit s SER 112 CO 0.31 0.03 0.78 -0.83 1.20 0.00 0.00 173.24 174.73 1uit s GLY 113 N -0.93 -0.51 1.07 9.45 0.00 -1.26 -5.18 107.32 109.97 1uit s GLY 113 Ca 0.01 1.00 -0.17 0.00 0.00 0.00 0.00 44.72 45.56 1uit s GLY 113 CO 0.01 0.43 1.21 2.56 0.00 0.00 0.00 173.10 177.31 1uit s PRO 114 N -2.86 -0.16 -0.38 2.90 0.04 -1.26 -5.04 135.00 128.25 1uit s PRO 114 Ca 0.01 -0.20 -0.02 0.00 0.04 0.00 0.00 61.00 60.83 1uit s PRO 114 Cb -0.01 -1.73 0.10 0.00 0.04 0.00 0.00 34.50 32.90 1uit s PRO 114 CO -0.07 -2.98 0.14 -1.12 0.04 0.00 0.00 177.00 173.01 1uit s SER 115 N -4.37 5.12 0.00 6.66 0.01 -1.26 -5.07 113.70 114.79 1uit s SER 115 Ca 0.72 -1.90 0.04 0.00 1.31 0.00 0.00 55.95 56.12 1uit s SER 115 Cb -0.07 -1.78 -0.01 0.00 0.21 0.00 0.00 66.02 64.36 1uit s SER 115 CO 0.54 -0.47 -0.13 -0.55 0.41 0.00 0.00 173.24 173.05 1uit s SER 116 N 1.59 1.52 0.00 2.44 0.15 -1.26 -5.39 113.70 112.74 1uit s SER 116 Ca 0.06 -0.28 0.00 0.00 0.70 0.00 0.00 55.95 56.43 1uit s SER 116 Cb -0.22 -0.15 0.00 0.00 -1.71 0.00 0.00 66.02 63.94 1uit s SER 116 CO -0.04 0.13 0.00 0.61 1.20 0.00 0.00 173.24 175.14