#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 -0.08 0.42 1.61 1.04 -1.26 -5.16 113.70 110.27 1uit s SER 2 Ca 0.00 -0.05 0.00 0.00 0.48 0.00 0.00 55.95 56.38 1uit s SER 2 Cb 0.00 0.12 0.00 0.00 0.10 0.00 0.00 66.02 66.24 1uit s SER 2 CO 0.00 -0.21 0.00 -1.20 0.98 0.00 0.00 173.24 172.81 1uit n SER 3 N -0.24 -5.39 0.00 7.02 7.64 -1.26 -5.05 113.62 116.34 1uit n SER 3 Ca -0.03 0.97 0.00 0.00 1.01 0.00 0.00 58.87 60.83 1uit n SER 3 Cb 0.60 -3.37 0.00 0.00 -1.01 0.00 0.00 64.21 60.43 1uit n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1uit n GLY 4 N -3.61 1.38 3.61 0.23 0.00 -1.26 -5.17 105.19 100.37 1uit n GLY 4 Ca -0.06 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.84 1uit n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1uit s SER 5 N 0.55 -0.58 -0.04 1.61 0.15 -1.26 -5.15 113.70 108.99 1uit s SER 5 Ca 0.00 1.00 -0.29 0.00 0.70 0.00 0.00 55.95 57.36 1uit s SER 5 Cb 0.00 0.97 0.09 0.00 -1.71 0.00 0.00 66.02 65.37 1uit s SER 5 CO 0.00 -0.27 0.77 -0.94 1.20 0.00 0.00 173.24 174.00 1uit s SER 6 N -0.07 -0.53 0.04 5.45 1.04 -1.26 -5.19 113.70 113.18 1uit s SER 6 Ca -0.00 0.44 0.00 0.00 0.48 0.00 0.00 55.95 56.86 1uit s SER 6 Cb -0.04 0.47 -0.00 0.00 0.10 0.00 0.00 66.02 66.55 1uit s SER 6 CO -0.00 -0.60 0.05 0.61 0.98 0.00 0.00 173.24 174.28 1uit n GLY 7 N 0.52 3.33 0.00 7.32 0.00 -1.26 -5.19 105.19 109.91 1uit n GLY 7 Ca -0.15 -1.51 0.00 0.00 0.00 0.00 0.00 46.02 44.36 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 -0.08 4.63 2.98 -0.02 0.00 -1.26 -5.18 105.19 106.26 1uit n GLY 8 Ca 0.00 -1.20 -0.11 0.00 0.00 0.00 0.00 46.02 44.72 1uit n GLY 8 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1uit s GLU 9 N 1.14 0.24 -0.99 1.61 8.01 -1.26 -5.09 118.70 122.36 1uit s GLU 9 Ca 0.00 -0.26 -0.20 0.00 0.01 0.00 0.00 54.97 54.52 1uit s GLU 9 Cb 0.00 0.09 0.09 0.00 -4.31 0.00 0.00 34.13 30.01 1uit s GLU 9 CO 0.00 -0.04 1.30 0.50 0.01 0.00 0.00 175.26 177.03 1uit s ARG 10 N -0.77 3.63 -0.02 1.61 6.06 -1.26 -4.94 118.95 123.26 1uit s ARG 10 Ca -0.09 -1.52 -0.00 0.00 -2.50 0.00 0.00 55.73 51.63 1uit s ARG 10 Cb -0.05 -5.14 0.02 0.00 0.06 0.00 0.00 34.95 29.84 1uit s ARG 10 CO -0.00 -1.98 0.03 0.50 -2.50 0.00 0.00 175.30 171.35 1uit s ARG 11 N 3.71 -0.02 -0.99 5.12 6.06 -1.26 -5.04 118.95 126.53 1uit s ARG 11 Ca 0.40 0.15 -0.07 0.00 -2.50 0.00 0.00 55.73 53.71 1uit s ARG 11 Cb -0.02 -0.18 -0.03 0.00 0.06 0.00 0.00 34.95 34.77 1uit s ARG 11 CO -0.09 -0.13 2.88 0.36 -2.50 0.00 0.00 175.30 175.83 1uit n LYS 12 N 3.92 3.40 -3.74 5.12 2.85 -1.26 -4.79 118.16 123.65 1uit n LYS 12 Ca -0.24 -2.38 -0.22 0.00 -1.05 0.00 0.00 58.31 54.42 1uit n LYS 12 Cb 0.52 -2.46 -0.18 0.00 -0.65 0.00 0.00 35.03 32.27 1uit n LYS 12 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 1uit s ASP 13 N 1.24 1.54 -0.28 -5.58 -1.08 -1.26 -5.12 116.67 106.12 1uit s ASP 13 Ca 0.62 -0.08 -0.19 0.00 -0.52 0.00 0.00 52.55 52.39 1uit s ASP 13 Cb 0.25 -0.37 -0.02 0.00 -1.46 0.00 0.00 42.92 41.32 1uit s ASP 13 CO -0.09 -0.21 0.56 -0.13 0.52 0.00 0.00 175.17 175.81 1uit s ARG 14 N 2.02 3.98 0.00 4.34 0.52 -1.26 -4.91 118.95 123.63 1uit s ARG 14 Ca 0.05 0.28 0.00 0.00 -0.52 0.00 0.00 55.73 55.54 1uit s ARG 14 Cb -0.12 -3.69 0.00 0.00 0.52 0.00 0.00 34.95 31.66 1uit s ARG 14 CO -0.05 -0.45 0.10 -0.35 0.02 0.00 0.00 175.30 174.57 1uit n PRO 15 N 5.67 0.00 -0.04 3.54 -0.04 -1.26 -4.91 135.00 137.96 1uit n PRO 15 Ca -0.03 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.34 1uit n PRO 15 Cb 0.49 -0.52 -0.03 0.00 -0.04 0.00 0.00 33.50 33.40 1uit n PRO 15 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 1uit n TYR 16 N -0.40 0.00 -4.04 0.54 9.36 -1.26 -5.08 117.16 116.28 1uit n TYR 16 Ca 0.00 0.00 -0.18 0.00 3.32 0.00 0.00 57.90 61.04 1uit n TYR 16 Cb 0.00 -0.31 -0.02 0.00 -0.63 0.00 0.00 39.34 38.38 1uit n TYR 16 CO 0.00 0.00 0.00 1.33 0.22 0.00 0.00 176.86 178.41 1uit n VAL 17 N -3.36 0.00 -2.56 2.97 0.24 -1.26 -5.06 118.33 109.30 1uit n VAL 17 Ca -0.17 -1.43 -0.41 0.00 -2.04 0.00 0.00 64.34 60.28 1uit n VAL 17 Cb 0.62 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.97 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 -3.31 3.29 0.56 7.34 2.02 -1.24 -4.85 118.70 122.50 1uit s GLU 18 Ca 0.12 -0.08 -0.15 0.00 0.02 0.00 0.00 54.97 54.88 1uit s GLU 18 Cb -0.01 -4.13 -0.13 0.00 0.10 0.00 0.00 34.13 29.97 1uit s GLU 18 CO 0.07 -2.00 -0.29 0.39 0.02 0.00 0.00 175.26 173.45 1uit n GLU 19 N 9.08 0.00 -2.52 1.61 1.02 -1.26 -4.04 120.64 124.53 1uit n GLU 19 Ca 0.05 0.00 -0.38 0.00 -0.02 0.00 0.00 57.16 56.81 1uit n GLU 19 Cb 0.49 -0.84 -0.04 0.00 -0.02 0.00 0.00 31.44 31.03 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 -1.11 4.35 0.33 3.49 0.04 -1.26 -4.69 135.00 136.15 1uit s PRO 20 Ca 0.43 1.62 0.07 0.00 0.04 0.00 0.00 61.00 63.16 1uit s PRO 20 Cb -0.33 -2.80 -0.07 0.00 0.04 0.00 0.00 34.50 31.35 1uit s PRO 20 CO 0.60 0.00 -0.04 -0.98 0.04 0.00 0.00 177.00 176.62 1uit s ARG 21 N -2.08 1.74 -0.35 4.56 1.70 -0.80 -4.94 118.95 118.78 1uit s ARG 21 Ca 0.52 -1.92 -0.02 0.00 -0.47 0.00 0.00 55.73 53.84 1uit s ARG 21 Cb -0.26 -1.41 0.08 0.00 -0.57 0.00 0.00 34.95 32.79 1uit s ARG 21 CO 0.33 0.03 0.10 -1.01 -1.08 0.00 0.00 175.30 173.66 1uit s HIS 22 N -2.85 3.43 -0.57 5.89 3.76 -1.26 -2.07 115.29 121.62 1uit s HIS 22 Ca 0.33 -2.12 -0.17 0.00 -0.15 0.00 0.00 55.06 52.95 1uit s HIS 22 Cb 0.05 -2.64 0.12 0.00 1.11 0.00 0.00 32.58 31.23 1uit s HIS 22 CO 0.15 -0.88 0.60 0.08 -0.85 0.00 0.00 174.74 173.84 1uit s VAL 23 N 1.20 5.04 0.88 -0.90 1.01 -0.47 -4.89 120.40 122.28 1uit s VAL 23 Ca 0.02 -1.29 -0.10 0.00 0.00 0.00 0.00 61.98 60.61 1uit s VAL 23 Cb -0.21 -4.41 0.12 0.00 0.00 0.00 0.00 36.38 31.88 1uit s VAL 23 CO -0.02 -0.99 1.13 -0.75 0.00 0.00 0.00 175.10 174.47 1uit s LYS 24 N 2.08 1.32 0.03 2.72 2.20 -1.26 -2.35 119.74 124.49 1uit s LYS 24 Ca 0.07 1.45 0.02 0.00 -0.36 0.00 0.00 55.97 57.15 1uit s LYS 24 Cb -0.27 -1.77 -0.02 0.00 -1.51 0.00 0.00 37.83 34.26 1uit s LYS 24 CO 0.04 -2.39 -0.07 0.08 -0.36 0.00 0.00 175.35 172.66 1uit s VAL 25 N -2.72 0.49 -0.43 4.02 1.01 0.51 -4.56 120.40 118.71 1uit s VAL 25 Ca 0.65 -0.96 0.09 0.00 0.00 0.00 0.00 61.98 61.77 1uit s VAL 25 Cb -0.21 -0.54 0.40 0.00 0.00 0.00 0.00 36.38 36.02 1uit s VAL 25 CO 0.57 -0.33 0.98 0.00 0.00 0.00 0.00 175.10 176.33 1uit n GLN 26 N 1.66 2.51 0.00 2.72 10.64 -1.26 -1.52 117.38 132.14 1uit n GLN 26 Ca -0.22 -4.14 0.00 0.00 -1.83 0.00 0.00 57.00 50.81 1uit n GLN 26 Cb 0.55 -1.93 0.00 0.00 -0.86 0.00 0.00 30.24 28.00 1uit n GLN 26 CO 0.00 0.00 0.00 1.63 -1.83 0.00 0.00 177.06 176.86 1uit n LYS 27 N -0.22 0.00 -1.65 2.61 4.01 0.21 -4.88 118.16 118.23 1uit n LYS 27 Ca 0.28 0.21 0.00 0.00 -0.51 0.00 0.00 58.31 58.29 1uit n LYS 27 Cb 0.64 -0.64 0.00 0.00 -0.51 0.00 0.00 35.03 34.51 1uit n LYS 27 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1uit n GLY 28 N -0.44 0.73 2.80 0.72 0.00 -0.74 -4.18 105.19 104.08 1uit n GLY 28 Ca 0.00 -0.37 -0.15 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 -1.26 -4.26 -3.97 1.61 7.64 -1.26 -5.03 113.62 107.08 1uit n SER 29 Ca 0.00 -0.36 -0.09 0.00 1.01 0.00 0.00 58.87 59.43 1uit n SER 29 Cb 0.49 -3.45 -0.09 0.00 -1.01 0.00 0.00 64.21 60.14 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 -5.65 0.60 0.82 1.43 2.02 -1.26 -5.16 118.70 111.50 1uit s GLU 30 Ca 0.30 -0.91 -0.12 0.00 0.02 0.00 0.00 54.97 54.26 1uit s GLU 30 Cb -0.13 0.23 0.08 0.00 0.10 0.00 0.00 34.13 34.41 1uit s GLU 30 CO 0.47 -0.14 1.11 -1.25 0.02 0.00 0.00 175.26 175.47 1uit s PRO 31 N -3.07 1.88 -0.01 0.39 0.04 -1.26 -4.84 135.00 128.12 1uit s PRO 31 Ca -0.01 0.57 -0.00 0.00 0.04 0.00 0.00 61.00 61.59 1uit s PRO 31 Cb 0.02 -1.90 -0.26 0.00 0.04 0.00 0.00 34.50 32.39 1uit s PRO 31 CO -0.07 -1.75 0.80 1.25 0.04 0.00 0.00 177.00 177.27 1uit h LEU 32 N -1.18 0.30 -2.44 -3.56 5.85 -1.85 -3.38 115.31 109.05 1uit h LEU 32 Ca -0.48 -0.46 -0.06 0.00 0.84 0.00 0.00 57.88 57.72 1uit h LEU 32 Cb 1.28 -0.10 0.03 0.00 0.37 0.00 0.00 40.66 42.25 1uit h LEU 32 CO 0.60 1.39 -0.19 0.61 -0.34 0.00 0.00 178.44 180.51 1uit n GLY 33 N 1.66 -1.23 3.28 3.75 0.00 -1.25 -2.49 105.19 108.92 1uit n GLY 33 Ca -0.17 0.49 -0.13 0.00 0.00 0.00 0.00 46.02 46.21 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 -3.07 0.06 -0.05 -0.61 -4.36 -1.26 -0.08 121.20 111.83 1uit s ILE 34 Ca 0.08 -0.51 0.01 0.00 -0.26 0.00 0.00 60.65 59.97 1uit s ILE 34 Cb -0.01 -0.82 -0.03 0.00 1.25 0.00 0.00 42.46 42.85 1uit s ILE 34 CO 0.75 -0.28 -0.04 -0.55 0.24 0.00 0.00 174.94 175.06 1uit s SER 35 N -1.71 4.86 0.06 4.36 0.15 0.11 -4.93 113.70 116.60 1uit s SER 35 Ca -0.09 0.00 0.03 0.00 0.70 0.00 0.00 55.95 56.60 1uit s SER 35 Cb -0.02 -1.25 -0.03 0.00 -1.71 0.00 0.00 66.02 63.00 1uit s SER 35 CO 0.01 0.34 -0.10 0.27 1.20 0.00 0.00 173.24 174.96 1uit s ILE 36 N -0.90 0.79 0.02 6.45 -5.25 -1.26 0.17 121.20 121.22 1uit s ILE 36 Ca 0.14 -1.27 0.01 0.00 -0.99 0.00 0.00 60.65 58.54 1uit s ILE 36 Cb -0.11 -0.91 -0.02 0.00 2.95 0.00 0.00 42.46 44.37 1uit s ILE 36 CO 0.04 -0.38 -0.04 0.68 -1.79 0.00 0.00 174.94 173.46 1uit s VAL 37 N -1.58 0.21 -0.01 8.37 -7.23 0.13 -4.77 120.40 115.52 1uit s VAL 37 Ca -0.04 -0.84 -0.02 0.00 -1.81 0.00 0.00 61.98 59.27 1uit s VAL 37 Cb -0.08 -0.32 -0.04 0.00 0.56 0.00 0.00 36.38 36.50 1uit s VAL 37 CO 0.01 -0.41 0.17 -0.55 -0.31 0.00 0.00 175.10 174.01 1uit s SER 38 N -1.30 6.27 -0.01 4.85 0.15 -1.26 -1.28 113.70 121.12 1uit s SER 38 Ca -0.13 0.31 -0.00 0.00 0.70 0.00 0.00 55.95 56.84 1uit s SER 38 Cb -0.09 -1.95 -0.04 0.00 -1.71 0.00 0.00 66.02 62.24 1uit s SER 38 CO -0.01 0.26 0.07 -0.83 1.20 0.00 0.00 173.24 173.94 1uit s GLY 39 N -1.94 2.00 0.05 9.45 0.00 -1.00 -5.01 107.32 110.87 1uit s GLY 39 Ca 0.27 -0.88 -0.10 0.00 0.00 0.00 0.00 44.72 44.01 1uit s GLY 39 CO 0.18 -0.75 1.10 -2.21 0.00 0.00 0.00 173.10 171.42 1uit n GLU 40 N 1.21 -0.14 -2.75 2.90 0.00 -1.26 -2.62 120.64 117.98 1uit n GLU 40 Ca -0.13 1.09 -0.24 0.00 0.00 0.00 0.00 57.16 57.88 1uit n GLU 40 Cb 0.53 -1.62 -0.01 0.00 0.00 0.00 0.00 31.44 30.33 1uit n GLU 40 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1uit n LYS 41 N -3.70 2.79 0.00 5.31 4.01 -1.26 -5.03 118.16 120.29 1uit n LYS 41 Ca 0.01 -4.35 0.00 0.00 -0.51 0.00 0.00 58.31 53.46 1uit n LYS 41 Cb 0.08 -2.06 0.00 0.00 -0.51 0.00 0.00 35.03 32.55 1uit n LYS 41 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1uit n GLY 42 N -0.26 5.32 0.00 0.72 0.00 -1.08 -5.19 105.19 104.70 1uit n GLY 42 Ca 0.31 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 45.30 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 0.00 4.77 3.83 -0.02 0.00 -1.26 -4.67 105.19 107.83 1uit n GLY 43 Ca 0.00 -1.78 -0.36 0.00 0.00 0.00 0.00 46.02 43.87 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 2.45 5.20 0.00 -0.61 -1.09 -1.26 -2.38 121.20 123.51 1uit s ILE 44 Ca 0.00 0.09 0.03 0.00 -2.23 0.00 0.00 60.65 58.54 1uit s ILE 44 Cb 0.00 -3.25 -0.01 0.00 -1.58 0.00 0.00 42.46 37.62 1uit s ILE 44 CO 0.00 0.61 -0.10 -0.31 -1.23 0.00 0.00 174.94 173.91 1uit s TYR 45 N -0.95 0.90 0.12 3.97 1.51 -0.40 -1.85 117.35 120.64 1uit s TYR 45 Ca 0.14 -0.20 -0.31 0.00 -1.01 0.00 0.00 57.07 55.69 1uit s TYR 45 Cb -0.12 -0.57 -0.09 0.00 -0.11 0.00 0.00 41.96 41.07 1uit s TYR 45 CO 0.03 -0.01 1.58 0.08 -1.11 0.00 0.00 175.55 176.12 1uit s VAL 46 N -0.35 2.87 -0.09 0.71 1.01 -1.20 -0.69 120.40 122.66 1uit s VAL 46 Ca 0.03 0.52 0.21 0.00 0.00 0.00 0.00 61.98 62.74 1uit s VAL 46 Cb -0.04 -3.33 -0.28 0.00 0.00 0.00 0.00 36.38 32.72 1uit s VAL 46 CO -0.00 0.02 0.47 -0.24 0.00 0.00 0.00 175.10 175.35 1uit n SER 47 N 4.65 0.12 0.00 3.32 2.88 0.44 -3.41 113.62 121.62 1uit n SER 47 Ca 0.14 0.05 0.00 0.00 -1.33 0.00 0.00 58.87 57.73 1uit n SER 47 Cb 0.40 1.57 0.00 0.00 -0.75 0.00 0.00 64.21 65.43 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 -2.43 -0.80 -3.72 -1.46 4.81 -1.17 -4.88 118.16 108.52 1uit n LYS 48 Ca -0.10 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.21 1uit n LYS 48 Cb 0.70 0.00 -0.09 0.00 0.02 0.00 0.00 35.03 35.65 1uit n LYS 48 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1uit s VAL 49 N -2.00 0.00 0.20 3.15 0.11 -1.26 0.09 120.40 120.70 1uit s VAL 49 Ca 0.00 -0.02 0.05 0.00 -2.93 0.00 0.00 61.98 59.08 1uit s VAL 49 Cb 0.00 -0.65 -0.03 0.00 -1.53 0.00 0.00 36.38 34.17 1uit s VAL 49 CO 0.00 -0.01 0.26 -0.89 -3.33 0.00 0.00 175.10 171.13 1uit s THR 50 N 0.16 4.92 0.39 5.04 2.01 0.89 -4.97 115.64 124.08 1uit s THR 50 Ca -0.01 -1.03 -0.04 0.00 0.31 0.00 0.00 61.69 60.92 1uit s THR 50 Cb -0.03 -3.60 -0.04 0.00 0.01 0.00 0.00 72.50 68.83 1uit s THR 50 CO 0.01 -0.23 0.67 0.54 -0.69 0.00 0.00 174.62 174.91 1uit s VAL 51 N -1.91 4.98 -1.29 3.82 0.11 -1.26 -3.30 120.40 121.54 1uit s VAL 51 Ca 0.33 0.03 0.00 0.00 -2.93 0.00 0.00 61.98 59.41 1uit s VAL 51 Cb -0.09 -3.82 0.00 0.00 -1.53 0.00 0.00 36.38 30.94 1uit s VAL 51 CO 0.27 -0.61 0.00 0.61 -3.33 0.00 0.00 175.10 172.04 1uit n GLY 52 N -1.72 1.16 1.13 6.54 0.00 -1.26 -4.75 105.19 106.30 1uit n GLY 52 Ca -0.01 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.10 1uit n GLY 52 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1uit n SER 53 N -0.67 3.82 0.00 1.61 7.64 -1.25 -4.95 113.62 119.82 1uit n SER 53 Ca -0.12 -2.22 0.00 0.00 1.01 0.00 0.00 58.87 57.54 1uit n SER 53 Cb 0.50 -0.43 0.00 0.00 -1.01 0.00 0.00 64.21 63.27 1uit n SER 53 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1uit n ILE 54 N 0.92 0.00 0.04 0.44 2.08 -1.26 -3.51 119.36 118.07 1uit n ILE 54 Ca 0.20 0.00 -0.06 0.00 0.56 0.00 0.00 62.75 63.45 1uit n ILE 54 Cb 0.65 0.00 -0.03 0.00 -0.75 0.00 0.00 39.64 39.51 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 0.00 -0.71 -0.71 -1.39 0.00 -1.73 0.43 119.26 115.14 1uit h ALA 55 Ca 0.00 -0.04 0.14 0.00 0.00 0.00 0.00 54.91 55.02 1uit h ALA 55 Cb 0.00 0.60 -0.13 0.00 0.00 0.00 0.00 17.79 18.26 1uit h ALA 55 CO 0.00 -0.76 -0.16 1.25 0.00 0.00 0.00 179.25 179.58 1uit h HIS 56 N -0.26 -0.35 -0.99 0.00 -0.00 -1.81 0.82 115.15 112.56 1uit h HIS 56 Ca -0.00 0.06 0.14 0.00 -0.00 0.00 0.00 60.37 60.58 1uit h HIS 56 Cb 0.26 0.26 -0.09 0.00 -0.00 0.00 0.00 27.41 27.85 1uit h HIS 56 CO -0.35 -0.30 0.62 1.96 -0.00 0.00 0.00 177.93 179.86 1uit h GLN 57 N 0.01 0.85 0.00 5.26 4.20 -1.68 0.48 115.11 124.22 1uit h GLN 57 Ca 0.35 -0.05 -0.08 0.00 0.06 0.00 0.00 58.65 58.92 1uit h GLN 57 Cb 0.54 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 28.11 1uit h GLN 57 CO -0.72 0.56 -0.39 0.00 -0.67 0.00 0.00 178.83 177.61 1uit h ALA 58 N 1.58 1.31 -0.30 3.87 0.00 0.52 -3.47 119.26 122.76 1uit h ALA 58 Ca 0.51 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1uit h ALA 58 Cb 0.65 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1uit h ALA 58 CO -0.29 0.49 0.00 0.41 0.00 0.00 0.00 179.25 179.86 1uit n GLY 59 N -0.35 0.71 3.77 0.00 0.00 0.17 -4.70 105.19 104.79 1uit n GLY 59 Ca -0.02 -0.43 -0.34 0.00 0.00 0.00 0.00 46.02 45.24 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 -0.30 3.88 0.25 0.99 1.43 -1.18 -5.01 118.68 118.74 1uit s LEU 60 Ca 0.00 0.18 0.02 0.00 -1.03 0.00 0.00 54.13 53.30 1uit s LEU 60 Cb 0.00 -2.15 -0.04 0.00 0.03 0.00 0.00 46.19 44.03 1uit s LEU 60 CO 0.00 0.31 0.17 -1.83 0.23 0.00 0.00 176.35 175.22 1uit s GLU 61 N -1.48 1.40 0.46 1.70 4.04 -1.26 -4.70 118.70 118.86 1uit s GLU 61 Ca 0.20 -1.77 -0.11 0.00 0.04 0.00 0.00 54.97 53.33 1uit s GLU 61 Cb -0.12 0.18 -0.06 0.00 0.02 0.00 0.00 34.13 34.15 1uit s GLU 61 CO 0.10 -0.45 0.84 -0.47 -1.84 0.00 0.00 175.26 173.44 1uit s TYR 62 N -3.88 3.49 0.00 4.83 6.14 -1.26 -3.81 117.35 122.86 1uit s TYR 62 Ca 0.39 1.13 0.00 0.00 0.64 0.00 0.00 57.07 59.23 1uit s TYR 62 Cb 0.06 -2.52 0.00 0.00 0.42 0.00 0.00 41.96 39.91 1uit s TYR 62 CO 0.17 -0.23 0.00 0.41 0.64 0.00 0.00 175.55 176.53 1uit n GLY 63 N -1.59 2.44 3.61 8.97 0.00 -1.22 -4.99 105.19 112.41 1uit n GLY 63 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.64 6.70 0.03 1.61 1.01 -1.25 -4.03 116.67 118.09 1uit s ASP 64 Ca 0.00 0.64 -0.30 0.00 0.71 0.00 0.00 52.55 53.59 1uit s ASP 64 Cb 0.00 -2.46 -0.06 0.00 1.01 0.00 0.00 42.92 41.41 1uit s ASP 64 CO 0.00 -0.81 1.46 -1.58 0.21 0.00 0.00 175.17 174.45 1uit s GLN 65 N 3.39 4.26 -0.98 8.23 0.74 -1.26 -3.26 119.66 130.79 1uit s GLN 65 Ca 0.38 2.06 -0.24 0.00 0.05 0.00 0.00 55.36 57.61 1uit s GLN 65 Cb -0.12 -3.55 0.05 0.00 1.10 0.00 0.00 33.01 30.48 1uit s GLN 65 CO 0.17 -0.60 1.44 -0.51 -0.55 0.00 0.00 175.29 175.24 1uit s LEU 66 N 2.35 3.45 0.00 3.68 1.43 -0.77 -3.26 118.68 125.56 1uit s LEU 66 Ca 0.66 -1.31 0.00 0.00 -1.03 0.00 0.00 54.13 52.45 1uit s LEU 66 Cb -0.34 -2.57 0.00 0.00 0.03 0.00 0.00 46.19 43.31 1uit s LEU 66 CO 0.28 -1.58 0.55 0.18 0.23 0.00 0.00 176.35 176.02 1uit n LEU 67 N 9.06 0.00 -4.48 1.79 4.77 -0.32 -4.30 117.00 123.52 1uit n LEU 67 Ca 0.29 0.55 -0.23 0.00 -0.03 0.00 0.00 56.01 56.60 1uit n LEU 67 Cb 0.51 -0.05 -0.11 0.00 -2.33 0.00 0.00 43.42 41.44 1uit n LEU 67 CO 0.66 -0.05 -0.29 -1.61 -1.33 0.00 0.00 177.39 174.77 1uit s GLU 68 N -1.21 1.69 -0.31 3.23 2.02 -1.08 -1.79 118.70 121.24 1uit s GLU 68 Ca 0.00 -1.93 -0.01 0.00 0.02 0.00 0.00 54.97 53.06 1uit s GLU 68 Cb 0.00 -1.05 0.10 0.00 0.10 0.00 0.00 34.13 33.28 1uit s GLU 68 CO 0.00 -0.12 0.10 0.12 0.02 0.00 0.00 175.26 175.38 1uit s PHE 69 N -3.14 1.74 -0.77 1.61 2.19 0.12 -1.26 117.98 118.46 1uit s PHE 69 Ca 0.35 -1.78 0.00 0.00 0.33 0.00 0.00 56.93 55.83 1uit s PHE 69 Cb 0.08 -1.74 0.00 0.00 -1.31 0.00 0.00 43.02 40.05 1uit s PHE 69 CO 0.15 -0.88 0.00 -1.71 1.83 0.00 0.00 175.22 174.62 1uit n ASN 70 N 4.80 -5.25 0.00 6.13 2.85 0.36 -0.77 115.26 123.38 1uit n ASN 70 Ca -0.02 0.18 0.00 0.00 -0.11 0.00 0.00 54.58 54.64 1uit n ASN 70 Cb 0.42 -3.39 0.00 0.00 1.24 0.00 0.00 39.78 38.05 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 -0.27 2.00 3.74 8.20 0.00 -1.26 -4.92 105.19 112.69 1uit n GLY 71 Ca -0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.04 3.20 -0.55 -0.61 1.01 0.05 -4.95 121.20 117.31 1uit s ILE 72 Ca 0.00 1.00 -0.26 0.00 0.00 0.00 0.00 60.65 61.38 1uit s ILE 72 Cb 0.00 -3.64 0.03 0.00 0.01 0.00 0.00 42.46 38.87 1uit s ILE 72 CO 0.00 0.15 1.06 0.21 0.00 0.00 0.00 174.94 176.36 1uit s ASN 73 N 0.31 6.42 0.09 3.58 3.84 -1.26 0.11 114.94 128.03 1uit s ASN 73 Ca 0.56 -0.06 0.21 0.00 0.21 0.00 0.00 52.86 53.78 1uit s ASN 73 Cb -0.36 -2.49 -0.13 0.00 -0.55 0.00 0.00 41.25 37.71 1uit s ASN 73 CO 0.39 -1.32 0.80 0.18 -2.79 0.00 0.00 177.10 174.36 1uit n LEU 74 N 7.86 0.59 0.13 3.21 4.77 -0.74 -3.97 117.00 128.85 1uit n LEU 74 Ca 0.06 0.24 0.20 0.00 -0.03 0.00 0.00 56.01 56.47 1uit n LEU 74 Cb 0.48 0.01 0.75 0.00 -2.33 0.00 0.00 43.42 42.34 1uit n LEU 74 CO 0.67 -0.03 1.17 0.03 -1.33 0.00 0.00 177.39 177.90 1uit h ARG 75 N 0.00 0.00 -1.07 3.23 3.08 -1.65 0.14 114.38 118.10 1uit h ARG 75 Ca -0.07 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.44 1uit h ARG 75 Cb 1.19 0.00 -0.42 0.00 0.08 0.00 0.00 29.97 30.82 1uit h ARG 75 CO 0.01 0.00 -0.82 0.43 -1.07 0.00 0.00 179.97 178.53 1uit n SER 76 N -3.58 4.49 -2.04 7.04 7.64 -1.25 -4.58 113.62 121.33 1uit n SER 76 Ca 0.06 -3.60 -0.03 0.00 1.01 0.00 0.00 58.87 56.32 1uit n SER 76 Cb 0.59 -0.41 -0.01 0.00 -1.01 0.00 0.00 64.21 63.38 1uit n SER 76 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1uit n ALA 77 N -0.57 0.05 -3.77 -0.43 0.00 0.47 -5.08 120.51 111.18 1uit n ALA 77 Ca 0.38 -0.22 -0.04 0.00 0.00 0.00 0.00 53.44 53.56 1uit n ALA 77 Cb 0.82 0.13 -0.01 0.00 0.00 0.00 0.00 19.45 20.39 1uit n ALA 77 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1uit n THR 78 N -0.11 0.00 0.12 0.00 -2.24 -1.26 -4.85 114.28 105.94 1uit n THR 78 Ca -0.01 -0.36 -0.20 0.00 -2.27 0.00 0.00 64.05 61.21 1uit n THR 78 Cb 0.06 0.11 -0.15 0.00 -2.10 0.00 0.00 70.33 68.25 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 0.39 -0.30 -0.78 4.11 -1.93 -0.46 114.58 115.61 1uit h GLU 79 Ca -0.05 -0.66 -0.16 0.00 0.07 0.00 0.00 59.36 58.55 1uit h GLU 79 Cb 0.18 0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 1uit h GLU 79 CO 0.08 1.31 -0.46 -0.56 0.07 0.00 0.00 179.01 179.46 1uit h GLN 80 N 0.11 0.79 0.00 1.06 3.07 -1.97 -2.52 115.11 115.65 1uit h GLN 80 Ca -0.20 -0.45 -0.10 0.00 0.09 0.00 0.00 58.65 57.99 1uit h GLN 80 Cb 2.07 0.03 0.01 0.00 0.08 0.00 0.00 27.48 29.66 1uit h GLN 80 CO 0.23 1.08 -0.39 1.96 0.09 0.00 0.00 178.83 181.80 1uit h GLN 81 N 0.63 0.26 -0.35 0.06 7.50 -1.97 -3.11 115.11 118.13 1uit h GLN 81 Ca 0.04 -0.28 0.07 0.00 0.50 0.00 0.00 58.65 58.97 1uit h GLN 81 Cb 1.03 0.08 -0.09 0.00 0.05 0.00 0.00 27.48 28.56 1uit h GLN 81 CO 0.10 1.00 -0.36 0.00 -1.50 0.00 0.00 178.83 178.06 1uit h ALA 82 N 0.27 -0.31 -0.16 3.87 0.00 -1.10 1.75 119.26 123.59 1uit h ALA 82 Ca -0.05 0.07 0.05 0.00 0.00 0.00 0.00 54.91 54.98 1uit h ALA 82 Cb 1.13 0.76 -0.01 0.00 0.00 0.00 0.00 17.79 19.67 1uit h ALA 82 CO 0.08 -0.79 0.24 0.00 0.00 0.00 0.00 179.25 178.77 1uit h ARG 83 N -0.31 0.00 0.17 0.00 3.08 -1.54 0.95 114.38 116.73 1uit h ARG 83 Ca 0.15 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 59.85 1uit h ARG 83 Cb 0.56 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.62 1uit h ARG 83 CO -0.52 0.00 -1.74 -0.07 -1.07 0.00 0.00 179.97 176.57 1uit h LEU 84 N 0.00 0.56 -0.13 3.04 3.38 0.98 -2.64 115.31 120.51 1uit h LEU 84 Ca 0.07 -0.93 -0.03 0.00 0.09 0.00 0.00 57.88 57.08 1uit h LEU 84 Cb 0.55 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 1uit h LEU 84 CO -0.00 1.78 -0.04 0.40 0.09 0.00 0.00 178.44 180.67 1uit h ILE 85 N 0.05 1.30 0.00 1.22 2.04 0.45 -2.33 117.51 120.24 1uit h ILE 85 Ca -0.35 -1.00 -0.01 0.00 1.00 0.00 0.00 64.86 64.49 1uit h ILE 85 Cb 2.05 1.70 -0.00 0.00 -0.74 0.00 0.00 36.82 39.83 1uit h ILE 85 CO 0.15 0.29 -0.06 0.16 0.00 0.00 0.00 178.15 178.69 1uit h ILE 86 N -0.07 0.20 -0.43 -0.67 3.07 0.66 -0.98 117.51 119.29 1uit h ILE 86 Ca 0.03 -0.52 0.00 0.00 1.55 0.00 0.00 64.86 65.92 1uit h ILE 86 Cb 0.47 1.43 0.00 0.00 -0.27 0.00 0.00 36.82 38.45 1uit h ILE 86 CO 0.01 0.06 0.00 0.61 -1.05 0.00 0.00 178.15 177.78 1uit n GLY 87 N -0.28 1.37 3.17 0.16 0.00 -0.95 -4.76 105.19 103.89 1uit n GLY 87 Ca -0.01 -0.50 -0.26 0.00 0.00 0.00 0.00 46.02 45.25 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 0.71 -3.94 -4.70 1.61 1.13 -0.37 -4.99 117.38 106.83 1uit n GLN 88 Ca 0.15 -1.17 -0.33 0.00 -1.94 0.00 0.00 57.00 53.71 1uit n GLN 88 Cb 0.47 -1.80 -0.13 0.00 0.11 0.00 0.00 30.24 28.89 1uit n GLN 88 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 1uit s GLN 89 N -4.53 3.20 0.00 -1.09 1.11 -1.26 -5.05 119.66 112.04 1uit s GLN 89 Ca 0.58 -0.64 0.00 0.00 0.01 0.00 0.00 55.36 55.31 1uit s GLN 89 Cb -0.11 -2.64 0.00 0.00 -1.01 0.00 0.00 33.01 29.25 1uit s GLN 89 CO 0.50 0.35 0.00 0.00 0.01 0.00 0.00 175.29 176.15 1uit h ASP 91 N 0.00 -0.71 -3.19 0.00 3.32 -1.95 -3.36 116.42 110.52 1uit h ASP 91 Ca 0.00 0.25 -0.56 0.00 0.02 0.00 0.00 57.03 56.74 1uit h ASP 91 Cb 0.00 0.50 -0.36 0.00 0.22 0.00 0.00 39.33 39.69 1uit h ASP 91 CO 0.00 -0.27 -0.82 -0.89 -1.72 0.00 0.00 179.24 175.54 1uit s THR 92 N -6.21 1.30 0.06 0.35 2.01 -1.26 0.63 115.64 112.52 1uit s THR 92 Ca -0.14 -0.48 0.02 0.00 0.31 0.00 0.00 61.69 61.40 1uit s THR 92 Cb 0.24 -1.24 -0.03 0.00 0.01 0.00 0.00 72.50 71.48 1uit s THR 92 CO 0.76 0.41 -0.08 -0.51 -0.69 0.00 0.00 174.62 174.51 1uit s ILE 93 N 1.42 0.65 0.25 1.82 -1.16 -0.57 -4.93 121.20 118.67 1uit s ILE 93 Ca 0.01 -1.38 0.08 0.00 -0.51 0.00 0.00 60.65 58.85 1uit s ILE 93 Cb -0.13 -1.00 -0.04 0.00 0.61 0.00 0.00 42.46 41.90 1uit s ILE 93 CO -0.07 -0.53 0.09 -0.89 -2.81 0.00 0.00 174.94 170.73 1uit s THR 94 N -2.10 3.93 0.05 4.00 2.01 -1.26 0.19 115.64 122.47 1uit s THR 94 Ca -0.02 -1.62 0.01 0.00 0.31 0.00 0.00 61.69 60.37 1uit s THR 94 Cb -0.05 -3.10 -0.03 0.00 0.01 0.00 0.00 72.50 69.33 1uit s THR 94 CO -0.01 -0.33 -0.06 -0.63 -0.69 0.00 0.00 174.62 172.90 1uit s ILE 95 N -2.16 0.46 -0.22 1.82 1.01 -0.99 0.14 121.20 121.26 1uit s ILE 95 Ca 0.32 -1.37 0.00 0.00 0.00 0.00 0.00 60.65 59.60 1uit s ILE 95 Cb -0.07 -0.95 0.03 0.00 0.01 0.00 0.00 42.46 41.48 1uit s ILE 95 CO 0.22 -0.61 -0.13 -0.22 0.00 0.00 0.00 174.94 174.20 1uit s LEU 96 N -2.11 2.78 0.51 2.97 1.98 -0.39 -1.36 118.68 123.05 1uit s LEU 96 Ca -0.03 -0.87 0.03 0.00 -2.89 0.00 0.00 54.13 50.37 1uit s LEU 96 Cb -0.04 -1.56 -0.00 0.00 0.66 0.00 0.00 46.19 45.25 1uit s LEU 96 CO -0.03 -0.08 0.14 0.00 -1.89 0.00 0.00 176.35 174.50 1uit s ALA 97 N 1.27 4.16 -0.36 5.97 0.00 -0.88 -1.17 121.76 130.76 1uit s ALA 97 Ca 0.01 -0.80 -0.05 0.00 0.00 0.00 0.00 51.96 51.11 1uit s ALA 97 Cb -0.16 -0.24 0.21 0.00 0.00 0.00 0.00 23.12 22.94 1uit s ALA 97 CO -0.08 -0.17 1.05 -1.14 0.00 0.00 0.00 175.76 175.42 1uit s GLN 98 N -4.00 0.30 -0.22 0.00 0.74 -1.20 -1.91 119.66 113.37 1uit s GLN 98 Ca 0.17 -0.29 -0.43 0.00 0.05 0.00 0.00 55.36 54.87 1uit s GLN 98 Cb 0.01 -0.01 -0.20 0.00 1.10 0.00 0.00 33.01 33.91 1uit s GLN 98 CO 0.10 -0.38 1.30 0.98 -0.55 0.00 0.00 175.29 176.74 1uit n TYR 99 N 2.73 1.13 -3.96 1.67 4.19 -1.26 -4.23 117.16 117.43 1uit n TYR 99 Ca 0.12 1.09 -0.31 0.00 3.31 0.00 0.00 57.90 62.11 1uit n TYR 99 Cb 0.64 -2.14 -0.15 0.00 0.49 0.00 0.00 39.34 38.17 1uit n TYR 99 CO 0.00 0.00 0.00 1.21 0.91 0.00 0.00 176.86 178.98 1uit s ASN 100 N 1.33 4.20 -0.52 2.98 2.47 -1.26 -3.67 114.94 120.46 1uit s ASN 100 Ca 0.97 -1.48 -0.06 0.00 0.42 0.00 0.00 52.86 52.71 1uit s ASN 100 Cb -1.37 -1.32 -0.15 0.00 -1.45 0.00 0.00 41.25 36.96 1uit s ASN 100 CO 0.68 -0.28 2.70 -0.81 -3.72 0.00 0.00 177.10 175.67 1uit n PRO 101 N 4.55 2.06 -1.94 0.43 -0.04 -1.26 -3.69 135.00 135.10 1uit n PRO 101 Ca -0.08 -1.19 0.02 0.00 -0.04 0.00 0.00 63.50 62.21 1uit n PRO 101 Cb 0.43 -2.19 0.03 0.00 -0.04 0.00 0.00 33.50 31.73 1uit n PRO 101 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1uit n HIS 102 N 3.18 0.39 0.00 0.54 8.25 -1.26 -4.86 115.22 121.46 1uit n HIS 102 Ca 0.44 -1.05 0.00 0.00 -0.26 0.00 0.00 57.72 56.85 1uit n HIS 102 Cb 0.47 -0.14 0.00 0.00 1.12 0.00 0.00 29.99 31.44 1uit n HIS 102 CO 0.00 0.00 0.00 1.55 0.64 0.00 0.00 176.34 178.53 1uit n VAL 103 N 0.11 0.00 -1.87 1.59 3.14 -1.24 -5.15 118.33 114.90 1uit n VAL 103 Ca 0.05 0.00 0.03 0.00 -2.96 0.00 0.00 64.34 61.46 1uit n VAL 103 Cb 1.02 -0.51 -0.01 0.00 -1.06 0.00 0.00 33.84 33.29 1uit n VAL 103 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1uit n HIS 104 N -2.50 -1.91 -1.06 1.45 1.44 -1.26 -4.98 115.22 106.40 1uit n HIS 104 Ca 0.00 0.29 0.09 0.00 -2.01 0.00 0.00 57.72 56.08 1uit n HIS 104 Cb 0.01 -0.43 -0.05 0.00 0.12 0.00 0.00 29.99 29.64 1uit n HIS 104 CO 0.00 0.00 0.00 1.04 -2.81 0.00 0.00 176.34 174.57 1uit n GLN 105 N -1.41 -2.56 0.12 -1.40 6.02 -1.26 -5.02 117.38 111.88 1uit n GLN 105 Ca 0.00 2.06 0.00 0.00 -0.01 0.00 0.00 57.00 59.05 1uit n GLN 105 Cb 0.10 -2.82 0.00 0.00 1.02 0.00 0.00 30.24 28.55 1uit n GLN 105 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 1uit n LEU 106 N -3.27 -0.14 -1.48 1.08 0.00 -1.26 -4.87 117.00 107.07 1uit n LEU 106 Ca -0.05 0.42 0.00 0.00 0.00 0.00 0.00 56.01 56.38 1uit n LEU 106 Cb 0.45 0.35 0.00 0.00 0.00 0.00 0.00 43.42 44.22 1uit n LEU 106 CO 0.02 -0.75 -0.42 -1.20 0.00 0.00 0.00 177.39 175.04 1uit n SER 107 N -3.34 -8.06 -4.10 1.96 7.64 -1.26 -4.80 113.62 101.66 1uit n SER 107 Ca 0.00 1.15 -0.38 0.00 1.01 0.00 0.00 58.87 60.65 1uit n SER 107 Cb 0.00 -4.32 -0.04 0.00 -1.01 0.00 0.00 64.21 58.84 1uit n SER 107 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1uit n SER 108 N -0.74 4.71 -4.56 6.43 7.64 -1.26 -5.01 113.62 120.83 1uit n SER 108 Ca 0.00 -3.17 -0.37 0.00 1.01 0.00 0.00 58.87 56.34 1uit n SER 108 Cb 0.00 -1.12 -0.03 0.00 -1.01 0.00 0.00 64.21 62.05 1uit n SER 108 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1uit n HIS 109 N 2.16 1.49 -2.08 1.43 8.25 -1.26 -4.92 115.22 120.29 1uit n HIS 109 Ca 0.23 0.09 -0.32 0.00 -0.26 0.00 0.00 57.72 57.47 1uit n HIS 109 Cb 0.37 -2.65 -0.00 0.00 1.12 0.00 0.00 29.99 28.83 1uit n HIS 109 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1uit s SER 110 N 11.69 6.22 0.03 0.41 1.04 -1.26 -5.08 113.70 126.75 1uit s SER 110 Ca 0.99 1.57 0.01 0.00 0.48 0.00 0.00 55.95 59.00 1uit s SER 110 Cb -0.22 -2.50 -0.02 0.00 0.10 0.00 0.00 66.02 63.39 1uit s SER 110 CO 0.28 -0.87 -0.05 0.00 0.98 0.00 0.00 173.24 173.58 1uit s ARG 111 N -4.54 0.40 -0.02 4.02 1.70 -1.26 -5.15 118.95 114.09 1uit s ARG 111 Ca 0.58 -0.62 -0.02 0.00 -0.47 0.00 0.00 55.73 55.20 1uit s ARG 111 Cb -0.12 -0.10 -0.04 0.00 -0.57 0.00 0.00 34.95 34.13 1uit s ARG 111 CO 0.42 0.00 0.10 0.45 -1.08 0.00 0.00 175.30 175.20 1uit s SER 112 N -1.37 5.84 -0.09 -2.89 0.15 -1.26 -5.09 113.70 108.99 1uit s SER 112 Ca -0.12 0.21 -0.24 0.00 0.70 0.00 0.00 55.95 56.51 1uit s SER 112 Cb -0.09 -1.73 -0.03 0.00 -1.71 0.00 0.00 66.02 62.46 1uit s SER 112 CO -0.00 0.29 0.73 -0.83 1.20 0.00 0.00 173.24 174.63 1uit s GLY 113 N -1.65 2.50 0.54 9.45 0.00 -1.26 -5.05 107.32 111.85 1uit s GLY 113 Ca 0.22 0.10 -0.18 0.00 0.00 0.00 0.00 44.72 44.87 1uit s GLY 113 CO 0.13 1.30 1.04 2.56 0.00 0.00 0.00 173.10 178.14 1uit s PRO 114 N 1.14 3.58 -0.12 2.90 0.04 -1.26 -5.04 135.00 136.24 1uit s PRO 114 Ca 0.38 1.25 -0.10 0.00 0.04 0.00 0.00 61.00 62.57 1uit s PRO 114 Cb -0.18 -2.07 -0.05 0.00 0.04 0.00 0.00 34.50 32.25 1uit s PRO 114 CO 0.17 -0.61 0.20 0.45 0.04 0.00 0.00 177.00 177.26 1uit s SER 115 N -2.46 6.44 -0.14 6.66 0.15 -1.26 -5.08 113.70 118.01 1uit s SER 115 Ca 0.65 0.52 -0.28 0.00 0.70 0.00 0.00 55.95 57.54 1uit s SER 115 Cb -0.16 -2.12 0.07 0.00 -1.71 0.00 0.00 66.02 62.10 1uit s SER 115 CO 0.29 0.32 0.69 -0.44 1.20 0.00 0.00 173.24 175.30 1uit s SER 116 N -0.63 -0.69 0.00 5.45 0.01 -1.26 -5.35 113.70 111.23 1uit s SER 116 Ca 0.16 1.01 0.00 0.00 1.31 0.00 0.00 55.95 58.42 1uit s SER 116 Cb -0.13 0.91 0.00 0.00 0.21 0.00 0.00 66.02 67.02 1uit s SER 116 CO 0.05 -0.46 0.07 0.61 0.41 0.00 0.00 173.24 173.92