#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 -0.37 0.29 1.61 0.15 -1.26 -5.09 113.70 109.03 1uit s SER 2 Ca 0.00 0.23 0.00 0.00 0.70 0.00 0.00 55.95 56.88 1uit s SER 2 Cb 0.00 0.34 0.00 0.00 -1.71 0.00 0.00 66.02 64.65 1uit s SER 2 CO 0.00 -0.47 0.00 -1.20 1.20 0.00 0.00 173.24 172.77 1uit n SER 3 N 0.29 -0.31 0.00 5.45 7.64 -1.26 -5.18 113.62 120.25 1uit n SER 3 Ca -0.09 0.50 0.00 0.00 1.01 0.00 0.00 58.87 60.28 1uit n SER 3 Cb 0.59 0.52 0.00 0.00 -1.01 0.00 0.00 64.21 64.31 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 1.40 4.10 3.55 0.23 0.00 -1.26 -5.18 105.19 108.04 1uit n GLY 4 Ca 0.00 -1.43 -0.06 0.00 0.00 0.00 0.00 46.02 44.52 1uit n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1uit s SER 5 N 0.00 -0.24 0.18 1.61 0.01 -1.26 -5.19 113.70 108.82 1uit s SER 5 Ca 0.00 -0.01 0.01 0.00 1.31 0.00 0.00 55.95 57.26 1uit s SER 5 Cb 0.00 0.26 -0.05 0.00 0.21 0.00 0.00 66.02 66.45 1uit s SER 5 CO 0.00 -0.43 0.03 -0.94 0.41 0.00 0.00 173.24 172.31 1uit s SER 6 N -2.35 1.09 -0.21 2.44 1.04 -1.26 -5.17 113.70 109.28 1uit s SER 6 Ca 0.07 -1.22 -0.36 0.00 0.48 0.00 0.00 55.95 54.93 1uit s SER 6 Cb -0.01 0.15 0.14 0.00 0.10 0.00 0.00 66.02 66.41 1uit s SER 6 CO -0.07 -0.62 1.25 -0.83 0.98 0.00 0.00 173.24 173.95 1uit s GLY 7 N -3.19 -0.27 0.00 7.32 0.00 -1.26 -5.19 107.32 104.74 1uit s GLY 7 Ca 0.27 1.70 0.00 0.00 0.00 0.00 0.00 44.72 46.69 1uit s GLY 7 CO 0.06 0.57 0.00 0.61 0.00 0.00 0.00 173.10 174.34 1uit n GLY 8 N -0.05 5.10 3.15 0.20 0.00 -1.26 -5.16 105.19 107.16 1uit n GLY 8 Ca 0.01 -1.51 0.04 0.00 0.00 0.00 0.00 46.02 44.56 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 0.38 0.52 -0.23 1.61 2.02 -1.26 -5.13 118.70 116.61 1uit s GLU 9 Ca 0.00 0.92 -0.27 0.00 0.02 0.00 0.00 54.97 55.63 1uit s GLU 9 Cb 0.00 0.51 0.00 0.00 0.10 0.00 0.00 34.13 34.74 1uit s GLU 9 CO 0.00 -0.57 0.96 1.03 0.02 0.00 0.00 175.26 176.70 1uit s ARG 10 N 2.87 4.24 0.31 1.61 0.52 -1.26 -5.02 118.95 122.21 1uit s ARG 10 Ca 0.18 1.21 0.03 0.00 -0.52 0.00 0.00 55.73 56.63 1uit s ARG 10 Cb -0.14 -3.64 -0.06 0.00 0.52 0.00 0.00 34.95 31.63 1uit s ARG 10 CO -0.20 -0.58 0.07 1.03 0.02 0.00 0.00 175.30 175.64 1uit s ARG 11 N 3.03 1.59 -1.39 3.54 0.52 -1.26 -5.05 118.95 119.94 1uit s ARG 11 Ca 0.41 -1.88 -0.14 0.00 -0.52 0.00 0.00 55.73 53.60 1uit s ARG 11 Cb -0.15 -0.68 0.07 0.00 0.52 0.00 0.00 34.95 34.71 1uit s ARG 11 CO 0.07 -0.23 2.05 1.63 0.02 0.00 0.00 175.30 178.84 1uit n LYS 12 N -0.63 3.07 -4.55 3.54 5.02 -1.26 -4.90 118.16 118.46 1uit n LYS 12 Ca -0.02 -2.94 -0.25 0.00 -2.02 0.00 0.00 58.31 53.09 1uit n LYS 12 Cb 0.66 -3.25 -0.14 0.00 -0.02 0.00 0.00 35.03 32.29 1uit n LYS 12 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1uit s ASP 13 N 2.94 2.39 0.54 4.39 1.01 -1.26 -5.12 116.67 121.57 1uit s ASP 13 Ca 0.47 -0.54 -0.19 0.00 0.71 0.00 0.00 52.55 52.99 1uit s ASP 13 Cb 0.11 -0.18 -0.09 0.00 1.01 0.00 0.00 42.92 43.77 1uit s ASP 13 CO -0.04 0.13 0.65 0.54 0.21 0.00 0.00 175.17 176.66 1uit n ARG 14 N 1.72 0.67 0.23 8.23 1.74 -1.26 -4.86 116.66 123.13 1uit n ARG 14 Ca -0.18 0.25 0.14 0.00 -0.77 0.00 0.00 57.85 57.30 1uit n ARG 14 Cb 0.53 -1.79 0.44 0.00 -1.02 0.00 0.00 32.46 30.63 1uit n ARG 14 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 1uit h PRO 15 N 0.49 0.00 0.00 5.56 0.13 -1.99 -3.46 132.00 132.72 1uit h PRO 15 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1uit h PRO 15 Cb 1.39 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.52 1uit h PRO 15 CO 0.49 0.00 0.00 0.98 -0.23 0.00 0.00 178.00 179.24 1uit n TYR 16 N -2.99 0.00 -3.83 1.56 9.36 -1.26 -4.60 117.16 115.41 1uit n TYR 16 Ca 0.02 0.00 -0.12 0.00 3.32 0.00 0.00 57.90 61.12 1uit n TYR 16 Cb 0.40 0.00 -0.10 0.00 -0.63 0.00 0.00 39.34 39.01 1uit n TYR 16 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1uit s VAL 17 N 0.00 0.05 -0.57 2.97 0.11 -1.26 -5.06 120.40 116.64 1uit s VAL 17 Ca 0.00 -0.42 -0.40 0.00 -2.93 0.00 0.00 61.98 58.23 1uit s VAL 17 Cb 0.00 -0.43 -0.18 0.00 -1.53 0.00 0.00 36.38 34.24 1uit s VAL 17 CO 0.00 -0.23 2.26 -0.62 -3.33 0.00 0.00 175.10 173.18 1uit n GLU 18 N 1.92 0.16 -1.01 1.54 1.02 -1.26 -4.80 120.64 118.22 1uit n GLU 18 Ca -0.19 0.04 -0.36 0.00 -0.02 0.00 0.00 57.16 56.63 1uit n GLU 18 Cb 0.57 -1.66 0.04 0.00 -0.02 0.00 0.00 31.44 30.36 1uit n GLU 18 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1uit n GLU 19 N 7.81 -0.01 -2.53 3.49 1.02 -1.26 -4.36 120.64 124.79 1uit n GLU 19 Ca 0.55 -0.00 -0.34 0.00 -0.02 0.00 0.00 57.16 57.35 1uit n GLU 19 Cb 0.02 -1.06 -0.03 0.00 -0.02 0.00 0.00 31.44 30.35 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 -2.02 3.80 0.25 3.49 0.04 -1.26 -4.69 135.00 134.61 1uit s PRO 20 Ca 0.43 1.35 0.07 0.00 0.04 0.00 0.00 61.00 62.88 1uit s PRO 20 Cb -0.21 -2.09 -0.05 0.00 0.04 0.00 0.00 34.50 32.18 1uit s PRO 20 CO 0.81 -0.43 -0.08 -0.98 0.04 0.00 0.00 177.00 176.35 1uit s ARG 21 N -3.26 1.46 -0.34 4.56 1.70 -0.15 -4.99 118.95 117.92 1uit s ARG 21 Ca 0.67 -1.71 0.02 0.00 -0.47 0.00 0.00 55.73 54.24 1uit s ARG 21 Cb -0.16 -1.08 0.10 0.00 -0.57 0.00 0.00 34.95 33.23 1uit s ARG 21 CO 0.20 0.07 0.06 -1.01 -1.08 0.00 0.00 175.30 173.54 1uit s HIS 22 N -3.05 3.66 -0.24 5.89 3.76 -1.26 -1.97 115.29 122.09 1uit s HIS 22 Ca 0.27 -2.78 -0.18 0.00 -0.15 0.00 0.00 55.06 52.23 1uit s HIS 22 Cb 0.03 -2.84 -0.03 0.00 1.11 0.00 0.00 32.58 30.85 1uit s HIS 22 CO 0.10 -0.94 0.49 0.08 -0.85 0.00 0.00 174.74 173.62 1uit s VAL 23 N 0.98 5.11 0.37 -0.90 1.01 0.23 -4.88 120.40 122.32 1uit s VAL 23 Ca 0.08 0.85 -0.20 0.00 0.00 0.00 0.00 61.98 62.71 1uit s VAL 23 Cb -0.20 -3.81 -0.10 0.00 0.00 0.00 0.00 36.38 32.27 1uit s VAL 23 CO -0.07 0.14 0.86 -0.54 0.00 0.00 0.00 175.10 175.50 1uit s LYS 24 N 1.97 4.20 -0.05 2.72 1.02 -1.26 -0.51 119.74 127.83 1uit s LYS 24 Ca 0.21 0.98 0.02 0.00 0.02 0.00 0.00 55.97 57.20 1uit s LYS 24 Cb -0.15 -2.38 0.01 0.00 -0.52 0.00 0.00 37.83 34.79 1uit s LYS 24 CO 0.09 0.10 -0.09 0.08 -0.92 0.00 0.00 175.35 174.60 1uit s VAL 25 N -2.00 0.90 -0.99 3.17 1.01 0.11 -4.72 120.40 117.88 1uit s VAL 25 Ca 0.57 -0.35 -0.02 0.00 0.00 0.00 0.00 61.98 62.17 1uit s VAL 25 Cb -0.11 -0.84 0.29 0.00 0.00 0.00 0.00 36.38 35.72 1uit s VAL 25 CO 0.16 0.30 1.27 0.00 0.00 0.00 0.00 175.10 176.83 1uit n GLN 26 N 3.80 3.93 0.00 2.72 6.02 -1.26 -1.62 117.38 130.97 1uit n GLN 26 Ca -0.23 -4.57 0.00 0.00 -0.01 0.00 0.00 57.00 52.19 1uit n GLN 26 Cb 0.52 -2.46 0.00 0.00 1.02 0.00 0.00 30.24 29.32 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 1.37 0.00 -2.48 -1.09 4.76 0.20 -4.93 118.16 115.99 1uit n LYS 27 Ca 0.26 0.44 -0.02 0.00 -2.87 0.00 0.00 58.31 56.12 1uit n LYS 27 Cb 0.35 -1.30 0.01 0.00 -1.84 0.00 0.00 35.03 32.25 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 -0.86 0.68 1.50 0.72 0.00 0.35 -3.98 105.19 103.60 1uit n GLY 28 Ca 0.00 -0.54 -0.01 0.00 0.00 0.00 0.00 46.02 45.47 1uit n GLY 28 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1uit n SER 29 N 0.39 -2.16 -3.92 1.61 2.88 -1.26 -4.98 113.62 106.18 1uit n SER 29 Ca -0.01 -0.02 -0.09 0.00 -1.33 0.00 0.00 58.87 57.42 1uit n SER 29 Cb 0.51 -0.70 -0.08 0.00 -0.75 0.00 0.00 64.21 63.19 1uit n SER 29 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1uit s GLU 30 N -4.88 0.71 0.97 -1.46 2.02 -1.26 -5.11 118.70 109.70 1uit s GLU 30 Ca 0.02 -0.92 -0.14 0.00 0.02 0.00 0.00 54.97 53.95 1uit s GLU 30 Cb -0.01 0.28 0.17 0.00 0.10 0.00 0.00 34.13 34.68 1uit s GLU 30 CO 0.03 -0.20 1.17 -1.25 0.02 0.00 0.00 175.26 175.03 1uit s PRO 31 N -3.40 0.65 -0.19 0.39 0.04 -1.26 -4.80 135.00 126.43 1uit s PRO 31 Ca 0.02 0.10 -0.23 0.00 0.04 0.00 0.00 61.00 60.93 1uit s PRO 31 Cb 0.03 -1.80 -0.20 0.00 0.04 0.00 0.00 34.50 32.57 1uit s PRO 31 CO -0.08 -2.49 0.34 1.25 0.04 0.00 0.00 177.00 176.06 1uit h LEU 32 N -1.71 0.00 -2.90 -3.56 5.85 -1.92 -3.36 115.31 107.72 1uit h LEU 32 Ca -0.48 -0.62 -0.00 0.00 0.84 0.00 0.00 57.88 57.61 1uit h LEU 32 Cb 1.31 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.34 1uit h LEU 32 CO 0.53 1.35 -0.01 0.61 -0.34 0.00 0.00 178.44 180.59 1uit n GLY 33 N 1.48 -0.40 3.32 3.75 0.00 -1.26 -1.28 105.19 110.80 1uit n GLY 33 Ca -0.26 -0.09 -0.14 0.00 0.00 0.00 0.00 46.02 45.52 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 -3.00 0.04 -0.06 -0.61 -4.36 -1.26 -1.54 121.20 110.40 1uit s ILE 34 Ca 0.00 -0.30 -0.04 0.00 -0.26 0.00 0.00 60.65 60.05 1uit s ILE 34 Cb -0.00 -0.70 -0.04 0.00 1.25 0.00 0.00 42.46 42.97 1uit s ILE 34 CO 0.12 -0.17 0.13 -0.55 0.24 0.00 0.00 174.94 174.72 1uit s SER 35 N -1.10 6.17 0.05 4.36 0.15 0.18 -4.95 113.70 118.56 1uit s SER 35 Ca -0.11 0.35 0.03 0.00 0.70 0.00 0.00 55.95 56.92 1uit s SER 35 Cb -0.04 -1.93 -0.03 0.00 -1.71 0.00 0.00 66.02 62.32 1uit s SER 35 CO 0.05 0.34 -0.09 0.27 1.20 0.00 0.00 173.24 175.01 1uit s ILE 36 N -1.14 0.65 0.04 6.45 -5.25 -1.26 0.38 121.20 121.07 1uit s ILE 36 Ca 0.20 -1.14 0.02 0.00 -0.99 0.00 0.00 60.65 58.74 1uit s ILE 36 Cb -0.12 -0.72 -0.02 0.00 2.95 0.00 0.00 42.46 44.55 1uit s ILE 36 CO 0.10 -0.36 -0.07 0.68 -1.79 0.00 0.00 174.94 173.49 1uit s VAL 37 N -1.40 0.51 0.01 8.37 -7.23 0.56 -4.79 120.40 116.44 1uit s VAL 37 Ca -0.08 -1.00 -0.02 0.00 -1.81 0.00 0.00 61.98 59.07 1uit s VAL 37 Cb -0.10 -0.57 -0.04 0.00 0.56 0.00 0.00 36.38 36.23 1uit s VAL 37 CO 0.01 -0.35 0.18 -0.55 -0.31 0.00 0.00 175.10 174.08 1uit s SER 38 N -1.46 6.33 0.08 4.85 0.15 -1.26 -1.08 113.70 121.31 1uit s SER 38 Ca -0.09 0.32 0.04 0.00 0.70 0.00 0.00 55.95 56.91 1uit s SER 38 Cb -0.09 -1.97 -0.04 0.00 -1.71 0.00 0.00 66.02 62.21 1uit s SER 38 CO 0.00 0.24 0.02 -0.83 1.20 0.00 0.00 173.24 173.87 1uit s GLY 39 N -2.06 1.94 0.00 9.45 0.00 -0.99 -5.00 107.32 110.65 1uit s GLY 39 Ca 0.29 -1.07 0.00 0.00 0.00 0.00 0.00 44.72 43.94 1uit s GLY 39 CO 0.21 -1.04 0.74 1.18 0.00 0.00 0.00 173.10 174.19 1uit n GLU 40 N 0.63 0.00 -2.95 2.90 1.02 -1.26 -3.10 120.64 117.88 1uit n GLU 40 Ca -0.11 0.74 -0.27 0.00 -0.02 0.00 0.00 57.16 57.51 1uit n GLU 40 Cb 0.52 -1.23 -0.04 0.00 -0.02 0.00 0.00 31.44 30.67 1uit n GLU 40 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1uit n LYS 41 N -2.05 3.21 0.00 3.49 5.02 -1.26 -4.99 118.16 121.58 1uit n LYS 41 Ca 0.00 -4.85 0.00 0.00 -2.02 0.00 0.00 58.31 51.44 1uit n LYS 41 Cb 0.00 -2.23 0.00 0.00 -0.02 0.00 0.00 35.03 32.78 1uit n LYS 41 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1uit n GLY 42 N -0.22 5.11 0.00 0.72 0.00 -1.18 -5.19 105.19 104.43 1uit n GLY 42 Ca 0.31 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.63 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 5.31 3.85 -0.02 0.00 -1.26 -4.81 105.19 108.26 1uit n GLY 43 Ca 0.00 -1.40 -0.37 0.00 0.00 0.00 0.00 46.02 44.25 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 1.70 5.35 -0.01 -0.61 -1.09 -1.26 -2.36 121.20 122.93 1uit s ILE 44 Ca 0.00 0.15 0.03 0.00 -2.23 0.00 0.00 60.65 58.60 1uit s ILE 44 Cb 0.00 -3.33 -0.01 0.00 -1.58 0.00 0.00 42.46 37.54 1uit s ILE 44 CO 0.00 0.61 -0.10 -0.31 -1.23 0.00 0.00 174.94 173.92 1uit s TYR 45 N -0.97 0.87 0.05 3.97 1.51 -0.24 -3.03 117.35 119.50 1uit s TYR 45 Ca 0.15 -0.17 -0.31 0.00 -1.01 0.00 0.00 57.07 55.73 1uit s TYR 45 Cb -0.12 -0.56 -0.07 0.00 -0.11 0.00 0.00 41.96 41.10 1uit s TYR 45 CO 0.04 -0.01 1.49 0.08 -1.11 0.00 0.00 175.55 176.03 1uit s VAL 46 N -0.26 3.38 -0.03 0.71 1.01 -1.24 -0.32 120.40 123.65 1uit s VAL 46 Ca 0.03 0.84 0.22 0.00 0.00 0.00 0.00 61.98 63.07 1uit s VAL 46 Cb -0.04 -3.54 -0.34 0.00 0.00 0.00 0.00 36.38 32.46 1uit s VAL 46 CO -0.00 0.01 0.47 -0.24 0.00 0.00 0.00 175.10 175.34 1uit n SER 47 N 5.17 0.06 -3.61 3.32 2.88 0.16 -2.81 113.62 118.79 1uit n SER 47 Ca 0.14 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.67 1uit n SER 47 Cb 0.42 1.99 -0.01 0.00 -0.75 0.00 0.00 64.21 65.86 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 -3.50 0.38 -0.29 -1.46 2.20 -1.17 -4.90 119.74 110.99 1uit s LYS 48 Ca -0.08 -0.18 0.01 0.00 -0.36 0.00 0.00 55.97 55.36 1uit s LYS 48 Cb 0.14 0.14 0.15 0.00 -1.51 0.00 0.00 37.83 36.75 1uit s LYS 48 CO 0.90 -0.17 0.37 0.54 -0.36 0.00 0.00 175.35 176.63 1uit s VAL 49 N -2.44 -0.55 0.07 4.02 0.11 -1.26 0.50 120.40 120.85 1uit s VAL 49 Ca 0.12 -0.36 -0.37 0.00 -2.93 0.00 0.00 61.98 58.45 1uit s VAL 49 Cb 0.02 -0.98 -0.18 0.00 -1.53 0.00 0.00 36.38 33.71 1uit s VAL 49 CO -0.04 -0.34 1.18 0.41 -3.33 0.00 0.00 175.10 172.97 1uit n THR 50 N 5.34 0.21 -2.94 5.04 -1.04 -0.59 -4.83 114.28 115.47 1uit n THR 50 Ca -0.01 -0.05 -0.40 0.00 -2.04 0.00 0.00 64.05 61.55 1uit n THR 50 Cb 0.48 -0.48 -0.04 0.00 -1.82 0.00 0.00 70.33 68.47 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 0.15 4.99 0.00 12.58 1.01 -1.26 -3.31 120.40 134.55 1uit s VAL 51 Ca 0.84 1.63 0.00 0.00 0.00 0.00 0.00 61.98 64.45 1uit s VAL 51 Cb -1.06 -4.12 0.00 0.00 0.00 0.00 0.00 36.38 31.20 1uit s VAL 51 CO 0.52 0.22 0.00 0.61 0.00 0.00 0.00 175.10 176.45 1uit n GLY 52 N 3.05 0.20 3.94 4.51 0.00 -1.26 -5.04 105.19 110.60 1uit n GLY 52 Ca 0.01 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.21 5.44 0.11 1.61 0.01 -1.21 -4.84 113.70 112.61 1uit s SER 53 Ca 0.00 0.39 -0.22 0.00 1.31 0.00 0.00 55.95 57.43 1uit s SER 53 Cb 0.00 -1.36 -0.05 0.00 0.21 0.00 0.00 66.02 64.83 1uit s SER 53 CO 0.00 -1.09 1.30 -0.38 0.41 0.00 0.00 173.24 173.48 1uit n ILE 54 N -2.46 -0.47 -0.11 1.44 2.08 -1.21 -0.79 119.36 117.84 1uit n ILE 54 Ca 0.05 2.03 -0.03 0.00 0.56 0.00 0.00 62.75 65.36 1uit n ILE 54 Cb 0.59 -2.54 -0.03 0.00 -0.75 0.00 0.00 39.64 36.91 1uit n ILE 54 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1uit n ALA 55 N -3.21 -0.16 -0.35 -1.39 0.00 -0.40 -0.07 120.51 114.92 1uit n ALA 55 Ca 0.01 0.22 -0.05 0.00 0.00 0.00 0.00 53.44 53.62 1uit n ALA 55 Cb 0.18 0.31 -0.03 0.00 0.00 0.00 0.00 19.45 19.91 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 -3.55 -0.18 -0.23 0.00 -0.00 0.03 0.18 115.22 111.46 1uit n HIS 56 Ca 0.01 1.09 0.04 0.00 -0.00 0.00 0.00 57.72 58.85 1uit n HIS 56 Cb 0.07 -0.70 0.15 0.00 -0.00 0.00 0.00 29.99 29.51 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 0.16 -0.92 1.57 4.20 0.81 0.50 115.11 121.43 1uit h GLN 57 Ca 0.22 -0.01 0.02 0.00 0.06 0.00 0.00 58.65 58.94 1uit h GLN 57 Cb 0.44 -0.04 -0.05 0.00 0.30 0.00 0.00 27.48 28.14 1uit h GLN 57 CO -0.85 0.11 0.61 0.00 -0.67 0.00 0.00 178.83 178.03 1uit h ALA 58 N 1.62 1.37 0.00 3.87 0.00 0.41 -3.47 119.26 123.07 1uit h ALA 58 Ca 0.38 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1uit h ALA 58 Cb 0.65 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1uit h ALA 58 CO -0.56 0.57 0.00 0.41 0.00 0.00 0.00 179.25 179.67 1uit n GLY 59 N -1.39 0.64 3.89 0.00 0.00 0.17 -4.91 105.19 103.59 1uit n GLY 59 Ca 0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 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 0.00 4.33 0.24 0.99 1.43 -1.21 -5.02 118.68 119.44 1uit s LEU 60 Ca 0.00 0.60 0.01 0.00 -1.03 0.00 0.00 54.13 53.71 1uit s LEU 60 Cb 0.00 -2.99 -0.05 0.00 0.03 0.00 0.00 46.19 43.19 1uit s LEU 60 CO 0.00 0.16 0.10 -1.83 0.23 0.00 0.00 176.35 175.01 1uit s GLU 61 N -2.16 1.36 0.53 1.70 1.03 -1.26 -4.72 118.70 115.18 1uit s GLU 61 Ca 0.34 -1.73 -0.19 0.00 0.03 0.00 0.00 54.97 53.42 1uit s GLU 61 Cb -0.13 -0.14 -0.07 0.00 -0.80 0.00 0.00 34.13 32.99 1uit s GLU 61 CO 0.20 -0.31 1.05 -0.47 -1.33 0.00 0.00 175.26 174.41 1uit s TYR 62 N -3.84 2.95 0.00 4.83 6.14 -1.26 -3.40 117.35 122.77 1uit s TYR 62 Ca 0.38 1.55 0.00 0.00 0.64 0.00 0.00 57.07 59.64 1uit s TYR 62 Cb 0.08 -3.07 0.00 0.00 0.42 0.00 0.00 41.96 39.38 1uit s TYR 62 CO 0.13 -1.01 0.00 0.41 0.64 0.00 0.00 175.55 175.72 1uit n GLY 63 N -0.43 2.79 3.55 8.97 0.00 -1.12 -4.98 105.19 113.98 1uit n GLY 63 Ca 0.09 -0.01 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 1uit n GLY 63 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1uit n ASP 64 N 0.41 2.51 -4.67 1.61 8.00 -1.22 -4.66 116.55 118.54 1uit n ASP 64 Ca 0.00 -0.11 -0.42 0.00 0.71 0.00 0.00 54.79 54.97 1uit n ASP 64 Cb 0.00 -1.50 -0.03 0.00 -0.02 0.00 0.00 41.12 39.58 1uit n ASP 64 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 1uit s GLN 65 N 7.40 4.23 -0.44 -1.24 0.74 -1.26 -3.71 119.66 125.38 1uit s GLN 65 Ca 1.03 1.91 -0.28 0.00 0.05 0.00 0.00 55.36 58.07 1uit s GLN 65 Cb -0.38 -3.78 0.03 0.00 1.10 0.00 0.00 33.01 29.97 1uit s GLN 65 CO 0.33 -0.71 1.08 -0.51 -0.55 0.00 0.00 175.29 174.93 1uit s LEU 66 N 3.36 3.77 -0.12 3.68 1.43 -1.17 -3.08 118.68 126.55 1uit s LEU 66 Ca 0.63 0.51 -0.11 0.00 -1.03 0.00 0.00 54.13 54.13 1uit s LEU 66 Cb -0.28 -3.47 -0.10 0.00 0.03 0.00 0.00 46.19 42.38 1uit s LEU 66 CO 0.23 -1.13 0.23 -0.07 0.23 0.00 0.00 176.35 175.83 1uit h LEU 67 N 10.86 0.00 -7.73 1.79 3.38 -1.17 -3.38 115.31 119.05 1uit h LEU 67 Ca -0.23 -0.34 -0.20 0.00 0.09 0.00 0.00 57.88 57.20 1uit h LEU 67 Cb 1.06 0.00 -0.26 0.00 0.09 0.00 0.00 40.66 41.56 1uit h LEU 67 CO 1.09 0.75 -0.64 -1.61 0.09 0.00 0.00 178.44 178.11 1uit s GLU 68 N -1.89 0.15 -0.41 1.13 2.02 -1.17 -0.58 118.70 117.95 1uit s GLU 68 Ca -0.09 -0.09 -0.04 0.00 0.02 0.00 0.00 54.97 54.77 1uit s GLU 68 Cb -0.00 0.06 0.11 0.00 0.10 0.00 0.00 34.13 34.40 1uit s GLU 68 CO 0.27 -0.03 0.22 0.12 0.02 0.00 0.00 175.26 175.86 1uit s PHE 69 N -0.37 3.55 -0.69 1.61 5.36 -0.60 -0.28 117.98 126.56 1uit s PHE 69 Ca -0.04 -2.30 0.00 0.00 -0.96 0.00 0.00 56.93 53.62 1uit s PHE 69 Cb -0.03 -3.21 0.00 0.00 -0.34 0.00 0.00 43.02 39.44 1uit s PHE 69 CO 0.00 -0.97 0.00 -1.71 -1.46 0.00 0.00 175.22 171.08 1uit n ASN 70 N 4.64 -5.42 0.00 6.13 2.85 -0.16 -1.82 115.26 121.48 1uit n ASN 70 Ca -0.04 0.16 0.00 0.00 -0.11 0.00 0.00 54.58 54.60 1uit n ASN 70 Cb 0.41 -3.49 0.00 0.00 1.24 0.00 0.00 39.78 37.94 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 -0.01 3.77 3.20 8.20 0.00 -1.26 -4.95 105.19 114.14 1uit n GLY 71 Ca -0.07 -0.90 -0.35 0.00 0.00 0.00 0.00 46.02 44.70 1uit n GLY 71 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1uit n ILE 72 N 0.00 0.20 -3.61 -0.61 5.41 -0.76 -4.88 119.36 115.11 1uit n ILE 72 Ca 0.00 -0.40 -0.40 0.00 1.00 0.00 0.00 62.75 62.95 1uit n ILE 72 Cb 0.00 -0.26 -0.10 0.00 -0.71 0.00 0.00 39.64 38.56 1uit n ILE 72 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 176.55 176.76 1uit s ASN 73 N -1.35 5.66 0.30 4.38 3.84 -1.26 -1.56 114.94 124.95 1uit s ASN 73 Ca 0.49 -1.32 0.15 0.00 0.21 0.00 0.00 52.86 52.39 1uit s ASN 73 Cb -0.24 -1.99 0.38 0.00 -0.55 0.00 0.00 41.25 38.85 1uit s ASN 73 CO 0.74 -0.48 1.60 -0.07 -2.79 0.00 0.00 177.10 176.10 1uit h LEU 74 N 8.41 0.00 -1.90 3.21 -0.00 -1.06 -1.18 115.31 122.79 1uit h LEU 74 Ca -0.24 0.00 0.17 0.00 -0.00 0.00 0.00 57.88 57.81 1uit h LEU 74 Cb 1.09 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.73 1uit h LEU 74 CO 0.72 0.54 0.56 0.03 -0.00 0.00 0.00 178.44 180.29 1uit h ARG 75 N 0.00 0.00 0.00 1.13 2.47 -1.73 -0.84 114.38 115.41 1uit h ARG 75 Ca -0.01 0.00 -0.12 0.00 -1.26 0.00 0.00 59.98 58.59 1uit h ARG 75 Cb 1.14 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.44 1uit h ARG 75 CO 0.07 0.00 -1.56 0.45 0.56 0.00 0.00 179.97 179.49 1uit n SER 76 N -3.80 2.84 -4.70 7.04 2.88 -1.13 -4.69 113.62 112.07 1uit n SER 76 Ca 0.11 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 57.22 1uit n SER 76 Cb 0.78 0.87 -0.02 0.00 -0.75 0.00 0.00 64.21 65.09 1uit n SER 76 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1uit n ALA 77 N -2.21 1.68 -1.94 -1.46 0.00 -0.32 -4.98 120.51 111.28 1uit n ALA 77 Ca -0.11 0.39 -0.25 0.00 0.00 0.00 0.00 53.44 53.47 1uit n ALA 77 Cb 0.67 -2.35 0.07 0.00 0.00 0.00 0.00 19.45 17.84 1uit n ALA 77 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1uit s THR 78 N -0.11 2.34 0.30 0.00 -4.23 -1.26 -4.71 115.64 107.97 1uit s THR 78 Ca 0.66 -0.37 -0.01 0.00 -1.18 0.00 0.00 61.69 60.79 1uit s THR 78 Cb -0.58 -2.97 0.27 0.00 1.34 0.00 0.00 72.50 70.56 1uit s THR 78 CO 0.50 0.00 1.94 1.05 -0.54 0.00 0.00 174.62 177.57 1uit h GLU 79 N -0.49 1.06 -0.25 3.99 4.11 -1.93 1.51 114.58 122.58 1uit h GLU 79 Ca -0.43 -0.06 -0.14 0.00 0.07 0.00 0.00 59.36 58.80 1uit h GLU 79 Cb 1.31 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 30.31 1uit h GLU 79 CO 0.56 0.70 -0.42 -0.56 0.07 0.00 0.00 179.01 179.36 1uit h GLN 80 N 1.09 0.59 0.02 1.06 3.07 -1.96 -0.85 115.11 118.13 1uit h GLN 80 Ca 0.34 -0.31 -0.07 0.00 0.09 0.00 0.00 58.65 58.70 1uit h GLN 80 Cb 0.01 0.01 0.01 0.00 0.08 0.00 0.00 27.48 27.58 1uit h GLN 80 CO -0.10 0.90 -0.29 1.96 0.09 0.00 0.00 178.83 181.40 1uit h GLN 81 N 0.49 0.16 -0.86 0.06 4.20 -1.61 -3.11 115.11 114.43 1uit h GLN 81 Ca 0.04 -0.20 0.08 0.00 0.06 0.00 0.00 58.65 58.62 1uit h GLN 81 Cb 0.93 0.06 -0.07 0.00 0.30 0.00 0.00 27.48 28.71 1uit h GLN 81 CO 0.08 0.99 0.52 0.00 -0.67 0.00 0.00 178.83 179.75 1uit h ALA 82 N 0.18 1.21 0.00 3.87 0.00 0.21 1.60 119.26 126.33 1uit h ALA 82 Ca -0.04 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1uit h ALA 82 Cb 1.10 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1uit h ALA 82 CO 0.06 0.22 0.00 0.00 0.00 0.00 0.00 179.25 179.53 1uit h ARG 83 N 0.92 0.00 0.00 0.00 3.08 -1.21 -1.37 114.38 115.81 1uit h ARG 83 Ca 0.39 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 60.21 1uit h ARG 83 Cb 0.25 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.26 1uit h ARG 83 CO -0.20 0.00 -1.74 1.47 -1.07 0.00 0.00 179.97 178.43 1uit n LEU 84 N -2.65 1.94 -0.29 3.04 -0.00 0.15 -3.35 117.00 115.84 1uit n LEU 84 Ca -0.01 0.35 0.07 0.00 -0.00 0.00 0.00 56.01 56.42 1uit n LEU 84 Cb 0.14 -0.79 0.18 0.00 -0.00 0.00 0.00 43.42 42.95 1uit n LEU 84 CO 0.18 0.15 0.79 0.40 -0.00 0.00 0.00 177.39 178.90 1uit h ILE 85 N -1.00 0.22 -0.09 1.47 2.04 0.21 1.48 117.51 121.85 1uit h ILE 85 Ca -0.35 -0.02 -0.13 0.00 1.00 0.00 0.00 64.86 65.36 1uit h ILE 85 Cb 1.29 0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 37.51 1uit h ILE 85 CO -0.21 0.01 -0.54 0.16 0.00 0.00 0.00 178.15 177.57 1uit h ILE 86 N 0.06 1.36 -0.61 -0.67 3.07 -1.46 -3.02 117.51 116.24 1uit h ILE 86 Ca 0.46 -1.82 -0.38 0.00 1.55 0.00 0.00 64.86 64.66 1uit h ILE 86 Cb 0.82 1.89 -0.16 0.00 -0.27 0.00 0.00 36.82 39.11 1uit h ILE 86 CO -0.78 0.54 0.45 0.61 -1.05 0.00 0.00 178.15 177.92 1uit n GLY 87 N 0.11 4.28 1.75 0.16 0.00 0.50 -4.36 105.19 107.63 1uit n GLY 87 Ca -0.02 -1.32 -0.10 0.00 0.00 0.00 0.00 46.02 44.58 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 0.35 0.39 -3.90 1.61 6.02 -0.51 -4.87 117.38 116.47 1uit n GLN 88 Ca 0.36 -1.26 -0.33 0.00 -0.01 0.00 0.00 57.00 55.76 1uit n GLN 88 Cb 0.58 -0.26 -0.13 0.00 1.02 0.00 0.00 30.24 31.45 1uit n GLN 88 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1uit s GLN 89 N -3.53 1.90 -0.19 -1.09 1.11 -1.26 -4.85 119.66 111.75 1uit s GLN 89 Ca 0.29 -2.19 -0.04 0.00 0.01 0.00 0.00 55.36 53.43 1uit s GLN 89 Cb -0.02 -3.40 0.09 0.00 -1.01 0.00 0.00 33.01 28.68 1uit s GLN 89 CO 0.19 -1.05 0.27 0.00 0.01 0.00 0.00 175.29 174.71 1uit h ASP 91 N 8.28 -1.20 -3.25 0.00 3.32 -1.94 -3.37 116.42 118.26 1uit h ASP 91 Ca -0.17 0.29 -0.55 0.00 0.02 0.00 0.00 57.03 56.62 1uit h ASP 91 Cb 1.14 0.67 -0.35 0.00 0.22 0.00 0.00 39.33 41.00 1uit h ASP 91 CO 0.23 -0.30 -0.82 -0.89 -1.72 0.00 0.00 179.24 175.75 1uit s THR 92 N -6.06 1.23 0.04 0.35 2.01 -1.26 0.13 115.64 112.08 1uit s THR 92 Ca -0.14 -0.46 0.03 0.00 0.31 0.00 0.00 61.69 61.42 1uit s THR 92 Cb 0.21 -1.17 -0.02 0.00 0.01 0.00 0.00 72.50 71.53 1uit s THR 92 CO 0.73 0.39 -0.09 -0.51 -0.69 0.00 0.00 174.62 174.45 1uit s ILE 93 N 1.25 0.69 0.34 1.82 -1.16 -0.64 -4.98 121.20 118.52 1uit s ILE 93 Ca -0.03 -0.93 0.08 0.00 -0.51 0.00 0.00 60.65 59.26 1uit s ILE 93 Cb -0.14 -0.69 -0.03 0.00 0.61 0.00 0.00 42.46 42.21 1uit s ILE 93 CO -0.04 -0.20 0.23 -0.89 -2.81 0.00 0.00 174.94 171.23 1uit s THR 94 N -1.03 3.30 0.01 4.00 2.01 -1.26 0.07 115.64 122.74 1uit s THR 94 Ca -0.05 -1.51 0.01 0.00 0.31 0.00 0.00 61.69 60.46 1uit s THR 94 Cb -0.08 -3.09 -0.01 0.00 0.01 0.00 0.00 72.50 69.32 1uit s THR 94 CO 0.01 -0.17 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.09 1uit s ILE 95 N -2.36 0.28 -0.64 1.82 1.01 0.34 -0.99 121.20 120.66 1uit s ILE 95 Ca 0.40 -0.45 -0.03 0.00 0.00 0.00 0.00 60.65 60.57 1uit s ILE 95 Cb -0.04 -0.30 0.16 0.00 0.01 0.00 0.00 42.46 42.29 1uit s ILE 95 CO 0.25 -0.12 0.45 -0.22 0.00 0.00 0.00 174.94 175.31 1uit s LEU 96 N -0.61 5.27 0.64 2.97 2.96 0.61 -0.60 118.68 129.93 1uit s LEU 96 Ca -0.04 -2.88 0.01 0.00 -0.22 0.00 0.00 54.13 51.01 1uit s LEU 96 Cb -0.04 -1.86 0.09 0.00 0.50 0.00 0.00 46.19 44.88 1uit s LEU 96 CO -0.00 -0.37 0.89 0.00 -1.32 0.00 0.00 176.35 175.55 1uit s ALA 97 N -0.10 3.92 -0.39 5.97 0.00 -0.83 -0.57 121.76 129.76 1uit s ALA 97 Ca 0.17 -1.67 -0.03 0.00 0.00 0.00 0.00 51.96 50.43 1uit s ALA 97 Cb -0.20 -1.94 0.21 0.00 0.00 0.00 0.00 23.12 21.19 1uit s ALA 97 CO -0.04 -1.14 0.99 -1.14 0.00 0.00 0.00 175.76 174.43 1uit s GLN 98 N -4.95 0.46 0.03 0.00 0.74 -1.18 -0.98 119.66 113.79 1uit s GLN 98 Ca 0.63 -0.43 -0.32 0.00 0.05 0.00 0.00 55.36 55.29 1uit s GLN 98 Cb -0.07 -0.02 -0.16 0.00 1.10 0.00 0.00 33.01 33.86 1uit s GLN 98 CO 0.42 -0.57 0.82 0.98 -0.55 0.00 0.00 175.29 176.39 1uit n TYR 99 N 2.79 0.37 -3.93 1.67 4.19 -1.26 -4.47 117.16 116.52 1uit n TYR 99 Ca 0.13 0.88 -0.29 0.00 3.31 0.00 0.00 57.90 61.93 1uit n TYR 99 Cb 0.62 -1.75 -0.16 0.00 0.49 0.00 0.00 39.34 38.54 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 -0.16 2.89 -0.56 2.98 -0.87 -1.26 -4.07 114.94 113.89 1uit s ASN 100 Ca 0.73 -0.67 -0.06 0.00 -1.57 0.00 0.00 52.86 51.29 1uit s ASN 100 Cb -1.02 -1.00 -0.14 0.00 -0.02 0.00 0.00 41.25 39.06 1uit s ASN 100 CO 0.48 -0.16 2.68 -0.81 -2.57 0.00 0.00 177.10 176.72 1uit n PRO 101 N 4.83 2.09 -2.72 -0.60 -0.04 -1.26 -3.83 135.00 133.47 1uit n PRO 101 Ca -0.13 -1.22 -0.08 0.00 -0.04 0.00 0.00 63.50 62.03 1uit n PRO 101 Cb 0.48 -2.21 0.10 0.00 -0.04 0.00 0.00 33.50 31.83 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 3.23 -2.59 -2.72 0.54 -0.00 -1.26 -5.00 115.22 107.42 1uit n HIS 102 Ca 0.45 -2.06 -0.07 0.00 0.46 0.00 0.00 57.72 56.49 1uit n HIS 102 Cb 0.45 1.57 0.08 0.00 -0.12 0.00 0.00 29.99 31.98 1uit n HIS 102 CO 0.00 0.00 0.00 1.55 0.46 0.00 0.00 176.34 178.35 1uit n VAL 103 N -0.10 0.00 -3.67 3.57 3.14 -1.25 -5.07 118.33 114.96 1uit n VAL 103 Ca 0.02 -1.27 -0.36 0.00 -2.96 0.00 0.00 64.34 59.77 1uit n VAL 103 Cb 0.77 1.38 -0.07 0.00 -1.06 0.00 0.00 33.84 34.86 1uit n VAL 103 CO 0.00 0.00 0.00 -1.00 -6.46 0.00 0.00 176.83 169.37 1uit s HIS 104 N 0.31 3.78 0.32 1.45 3.76 -1.26 -4.93 115.29 118.73 1uit s HIS 104 Ca 0.24 -2.98 0.03 0.00 -0.15 0.00 0.00 55.06 52.20 1uit s HIS 104 Cb 0.27 -3.21 -0.05 0.00 1.11 0.00 0.00 32.58 30.70 1uit s HIS 104 CO -0.13 -0.75 0.08 -0.65 -0.85 0.00 0.00 174.74 172.45 1uit s GLN 105 N -1.10 1.64 -0.08 1.40 -0.21 -1.26 -5.17 119.66 114.88 1uit s GLN 105 Ca 0.25 -1.92 -0.31 0.00 0.02 0.00 0.00 55.36 53.40 1uit s GLN 105 Cb -0.10 -0.68 0.09 0.00 1.00 0.00 0.00 33.01 33.32 1uit s GLN 105 CO -0.11 -0.26 0.77 -1.17 -2.12 0.00 0.00 175.29 172.39 1uit s LEU 106 N -3.47 -0.58 0.12 2.90 0.20 -1.26 -5.17 118.68 111.43 1uit s LEU 106 Ca 0.35 0.64 -0.21 0.00 0.69 0.00 0.00 54.13 55.60 1uit s LEU 106 Cb 0.07 2.35 0.06 0.00 -0.43 0.00 0.00 46.19 48.24 1uit s LEU 106 CO 0.15 -0.53 0.52 -0.55 -0.29 0.00 0.00 176.35 175.65 1uit s SER 107 N -1.15 -0.44 0.09 3.68 0.15 -1.26 -5.17 113.70 109.60 1uit s SER 107 Ca -0.08 -0.05 0.01 0.00 0.70 0.00 0.00 55.95 56.52 1uit s SER 107 Cb -0.00 0.54 -0.04 0.00 -1.71 0.00 0.00 66.02 64.81 1uit s SER 107 CO 0.08 -0.88 0.21 -0.44 1.20 0.00 0.00 173.24 173.41 1uit s SER 108 N -2.60 6.24 1.06 5.45 0.01 -1.26 -5.10 113.70 117.51 1uit s SER 108 Ca 0.00 0.20 -0.14 0.00 1.31 0.00 0.00 55.95 57.33 1uit s SER 108 Cb 0.00 -1.88 0.22 0.00 0.21 0.00 0.00 66.02 64.57 1uit s SER 108 CO -0.10 0.13 1.08 -2.28 0.41 0.00 0.00 173.24 172.49 1uit s HIS 109 N -1.57 1.73 0.48 2.43 2.46 -1.26 -5.01 115.29 114.55 1uit s HIS 109 Ca 0.34 0.91 -0.17 0.00 0.47 0.00 0.00 55.06 56.61 1uit s HIS 109 Cb -0.12 -3.27 -0.08 0.00 -0.13 0.00 0.00 32.58 28.97 1uit s HIS 109 CO 0.27 -3.23 0.95 0.45 -2.47 0.00 0.00 174.74 170.71 1uit s SER 110 N -3.41 6.67 -0.41 9.88 0.15 -1.26 -4.99 113.70 120.33 1uit s SER 110 Ca 0.67 1.53 -0.29 0.00 0.70 0.00 0.00 55.95 58.56 1uit s SER 110 Cb -0.18 -2.49 0.02 0.00 -1.71 0.00 0.00 66.02 61.66 1uit s SER 110 CO 0.58 -0.51 1.24 -0.13 1.20 0.00 0.00 173.24 175.62 1uit s ARG 111 N -3.85 3.76 -0.16 5.44 0.52 -1.26 -4.93 118.95 118.47 1uit s ARG 111 Ca 0.58 0.86 -0.35 0.00 -0.52 0.00 0.00 55.73 56.31 1uit s ARG 111 Cb -0.10 -3.92 0.14 0.00 0.52 0.00 0.00 34.95 31.60 1uit s ARG 111 CO 0.27 -1.33 1.30 -1.12 0.02 0.00 0.00 175.30 174.44 1uit s SER 112 N 2.85 -0.07 0.00 0.23 0.01 -1.26 -5.19 113.70 110.27 1uit s SER 112 Ca 0.53 -0.03 0.00 0.00 1.31 0.00 0.00 55.95 57.76 1uit s SER 112 Cb -0.11 0.10 0.00 0.00 0.21 0.00 0.00 66.02 66.22 1uit s SER 112 CO 0.28 -0.17 0.00 0.61 0.41 0.00 0.00 173.24 174.37 1uit n GLY 113 N -0.22 5.09 2.82 3.44 0.00 -1.26 -4.98 105.19 110.08 1uit n GLY 113 Ca -0.02 -1.72 -0.40 0.00 0.00 0.00 0.00 46.02 43.89 1uit n GLY 113 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1uit n PRO 114 N 0.00 2.29 -3.88 1.61 -0.04 -1.26 -4.87 135.00 128.85 1uit n PRO 114 Ca 0.00 -2.10 -0.24 0.00 -0.04 0.00 0.00 63.50 61.12 1uit n PRO 114 Cb 0.00 -2.98 -0.04 0.00 -0.04 0.00 0.00 33.50 30.44 1uit n PRO 114 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1uit s SER 115 N 3.85 4.69 -0.40 3.54 1.04 -1.26 -4.85 113.70 120.31 1uit s SER 115 Ca 0.52 -1.02 -0.26 0.00 0.48 0.00 0.00 55.95 55.67 1uit s SER 115 Cb 0.14 -0.24 0.04 0.00 0.10 0.00 0.00 66.02 66.06 1uit s SER 115 CO 0.00 -0.75 0.55 -1.20 0.98 0.00 0.00 173.24 172.83 1uit n SER 116 N -1.49 -6.59 0.00 7.02 7.64 -1.26 -5.23 113.62 113.71 1uit n SER 116 Ca 0.00 0.22 0.00 0.00 1.01 0.00 0.00 58.87 60.10 1uit n SER 116 Cb 0.64 -3.15 0.00 0.00 -1.01 0.00 0.00 64.21 60.68 1uit n SER 116 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64