#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 1.41 -0.41 1.61 0.15 -1.26 -5.11 113.70 110.09 1uit s SER 2 Ca 0.00 -0.82 0.04 0.00 0.70 0.00 0.00 55.95 55.87 1uit s SER 2 Cb 0.00 0.02 0.16 0.00 -1.71 0.00 0.00 66.02 64.49 1uit s SER 2 CO 0.00 -0.28 0.39 -0.94 1.20 0.00 0.00 173.24 173.62 1uit s SER 3 N -2.47 1.11 0.00 5.45 1.04 -1.26 -5.08 113.70 112.49 1uit s SER 3 Ca 0.05 -2.26 0.00 0.00 0.48 0.00 0.00 55.95 54.22 1uit s SER 3 Cb -0.02 0.25 0.00 0.00 0.10 0.00 0.00 66.02 66.35 1uit s SER 3 CO -0.00 -0.20 0.00 0.61 0.98 0.00 0.00 173.24 174.63 1uit n GLY 4 N 3.48 -3.01 3.16 7.32 0.00 -1.26 -5.11 105.19 109.77 1uit n GLY 4 Ca 0.20 -1.05 0.05 0.00 0.00 0.00 0.00 46.02 45.22 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 -1.27 -0.09 0.13 1.61 0.15 -1.26 -5.18 113.70 107.79 1uit s SER 5 Ca 0.00 0.08 -0.24 0.00 0.70 0.00 0.00 55.95 56.49 1uit s SER 5 Cb 0.00 1.09 0.07 0.00 -1.71 0.00 0.00 66.02 65.47 1uit s SER 5 CO 0.00 -0.02 0.63 -0.44 1.20 0.00 0.00 173.24 174.62 1uit s SER 6 N 2.64 -0.55 0.00 5.45 0.01 -1.26 -5.17 113.70 114.82 1uit s SER 6 Ca -0.06 0.03 0.00 0.00 1.31 0.00 0.00 55.95 57.23 1uit s SER 6 Cb -0.06 0.57 0.00 0.00 0.21 0.00 0.00 66.02 66.75 1uit s SER 6 CO -0.10 -0.92 0.00 0.61 0.41 0.00 0.00 173.24 173.24 1uit n GLY 7 N -0.31 4.33 0.13 3.44 0.00 -1.26 -5.20 105.19 106.32 1uit n GLY 7 Ca -0.16 -0.67 -0.00 0.00 0.00 0.00 0.00 46.02 45.18 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 -1.47 1.65 3.56 -0.02 0.00 -1.26 -5.19 105.19 102.45 1uit n GLY 8 Ca 0.00 -0.98 -0.07 0.00 0.00 0.00 0.00 46.02 44.98 1uit n GLY 8 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1uit s GLU 9 N -2.00 0.80 -0.35 1.61 2.12 -1.26 -5.13 118.70 114.49 1uit s GLU 9 Ca 0.01 -0.33 -0.00 0.00 0.36 0.00 0.00 54.97 55.01 1uit s GLU 9 Cb -0.00 0.35 0.14 0.00 0.26 0.00 0.00 34.13 34.87 1uit s GLU 9 CO 0.00 -0.35 0.21 1.03 -0.54 0.00 0.00 175.26 175.61 1uit s ARG 10 N -3.03 0.53 0.00 4.30 3.00 -1.26 -5.07 118.95 117.41 1uit s ARG 10 Ca 0.07 -1.26 0.00 0.00 0.00 0.00 0.00 55.73 54.54 1uit s ARG 10 Cb -0.01 -1.26 0.00 0.00 0.00 0.00 0.00 34.95 33.68 1uit s ARG 10 CO -0.07 -1.20 0.00 0.54 0.00 0.00 0.00 175.30 174.57 1uit n ARG 11 N 4.12 0.00 -3.61 3.54 1.74 -1.26 -5.18 116.66 116.01 1uit n ARG 11 Ca 0.11 0.00 -0.06 0.00 -0.77 0.00 0.00 57.85 57.13 1uit n ARG 11 Cb 0.38 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 31.77 1uit n ARG 11 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 1uit s LYS 12 N 0.00 0.34 -0.28 5.56 0.00 -1.26 -5.14 119.74 118.97 1uit s LYS 12 Ca 0.00 0.08 0.01 0.00 0.00 0.00 0.00 55.97 56.06 1uit s LYS 12 Cb 0.00 0.16 0.06 0.00 0.00 0.00 0.00 37.83 38.05 1uit s LYS 12 CO 0.00 -0.11 -0.06 -0.51 0.00 0.00 0.00 175.35 174.67 1uit s ASP 13 N -1.09 4.65 0.07 0.03 1.11 -1.26 -4.94 116.67 115.25 1uit s ASP 13 Ca 0.03 -1.36 0.00 0.00 0.18 0.00 0.00 52.55 51.40 1uit s ASP 13 Cb -0.01 -1.62 0.00 0.00 1.07 0.00 0.00 42.92 42.36 1uit s ASP 13 CO -0.03 -0.23 0.00 0.54 1.18 0.00 0.00 175.17 176.63 1uit n ARG 14 N 4.51 -5.00 0.24 8.23 1.74 -1.26 -4.85 116.66 120.27 1uit n ARG 14 Ca -0.13 3.63 0.13 0.00 -0.77 0.00 0.00 57.85 60.71 1uit n ARG 14 Cb 0.43 -4.33 0.41 0.00 -1.02 0.00 0.00 32.46 27.94 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 4.02 0.00 0.00 5.56 0.13 -2.04 -3.46 132.00 136.20 1uit h PRO 15 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1uit h PRO 15 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1uit h PRO 15 CO 0.00 0.06 0.00 0.66 -0.23 0.00 0.00 178.00 178.49 1uit n TYR 16 N -3.14 0.00 -4.14 1.56 4.01 -1.26 -4.66 117.16 109.53 1uit n TYR 16 Ca 0.02 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.66 1uit n TYR 16 Cb 0.44 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.37 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 0.57 -0.41 -0.72 0.11 -1.26 -5.06 120.40 113.63 1uit s VAL 17 Ca 0.00 -1.82 -0.34 0.00 -2.93 0.00 0.00 61.98 56.89 1uit s VAL 17 Cb 0.00 -1.54 -0.12 0.00 -1.53 0.00 0.00 36.38 33.19 1uit s VAL 17 CO 0.00 -0.86 2.25 -0.62 -3.33 0.00 0.00 175.10 172.54 1uit n GLU 18 N 0.13 1.01 -1.12 1.54 -0.58 -1.25 -4.83 120.64 115.55 1uit n GLU 18 Ca -0.14 0.25 -0.35 0.00 -0.42 0.00 0.00 57.16 56.50 1uit n GLU 18 Cb 0.60 -2.50 0.01 0.00 -0.57 0.00 0.00 31.44 28.98 1uit n GLU 18 CO 0.00 0.00 0.00 -0.85 -0.48 0.00 0.00 177.13 175.80 1uit n GLU 19 N 8.32 0.00 -2.49 3.49 0.00 -1.26 -4.30 120.64 124.40 1uit n GLU 19 Ca 0.42 0.00 -0.41 0.00 0.00 0.00 0.00 57.16 57.18 1uit n GLU 19 Cb 0.25 -0.91 -0.04 0.00 0.00 0.00 0.00 31.44 30.74 1uit n GLU 19 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.13 175.88 1uit s PRO 20 N -1.01 4.61 0.44 3.44 0.04 -1.26 -4.75 135.00 136.51 1uit s PRO 20 Ca 0.50 1.76 0.06 0.00 0.04 0.00 0.00 61.00 63.36 1uit s PRO 20 Cb -0.43 -3.24 -0.05 0.00 0.04 0.00 0.00 34.50 30.83 1uit s PRO 20 CO 0.62 0.13 0.06 -0.98 0.04 0.00 0.00 177.00 176.87 1uit s ARG 21 N -0.82 2.09 -0.53 4.56 1.70 -0.61 -4.99 118.95 120.36 1uit s ARG 21 Ca 0.47 -2.12 0.03 0.00 -0.47 0.00 0.00 55.73 53.64 1uit s ARG 21 Cb -0.31 -1.71 0.13 0.00 -0.57 0.00 0.00 34.95 32.50 1uit s ARG 21 CO 0.37 -0.17 0.28 -1.01 -1.08 0.00 0.00 175.30 173.69 1uit s HIS 22 N -2.73 3.23 -0.22 5.89 3.76 -1.26 -2.67 115.29 121.29 1uit s HIS 22 Ca 0.29 -3.11 -0.29 0.00 -0.15 0.00 0.00 55.06 51.79 1uit s HIS 22 Cb 0.06 -2.87 -0.01 0.00 1.11 0.00 0.00 32.58 30.87 1uit s HIS 22 CO 0.15 -0.76 1.28 0.08 -0.85 0.00 0.00 174.74 174.64 1uit s VAL 23 N -0.22 4.23 0.36 -0.90 1.01 0.19 -4.77 120.40 120.30 1uit s VAL 23 Ca 0.17 1.45 -0.25 0.00 0.00 0.00 0.00 61.98 63.35 1uit s VAL 23 Cb -0.25 -4.07 -0.10 0.00 0.00 0.00 0.00 36.38 31.96 1uit s VAL 23 CO -0.01 -0.28 0.96 -0.54 0.00 0.00 0.00 175.10 175.23 1uit s LYS 24 N 3.78 4.45 -0.07 2.72 1.02 -1.26 0.52 119.74 130.91 1uit s LYS 24 Ca 0.55 1.31 0.03 0.00 0.02 0.00 0.00 55.97 57.87 1uit s LYS 24 Cb -0.19 -2.63 0.01 0.00 -0.52 0.00 0.00 37.83 34.50 1uit s LYS 24 CO 0.18 0.16 -0.15 0.08 -0.92 0.00 0.00 175.35 174.70 1uit s VAL 25 N -1.75 1.32 -0.86 3.17 1.01 0.18 -4.50 120.40 118.97 1uit s VAL 25 Ca 0.54 -0.59 0.01 0.00 0.00 0.00 0.00 61.98 61.93 1uit s VAL 25 Cb -0.17 -1.18 0.29 0.00 0.00 0.00 0.00 36.38 35.32 1uit s VAL 25 CO 0.22 0.39 1.16 0.00 0.00 0.00 0.00 175.10 176.88 1uit n GLN 26 N 3.69 3.65 0.00 2.72 6.02 -1.26 -1.29 117.38 130.90 1uit n GLN 26 Ca -0.22 -4.64 0.00 0.00 -0.01 0.00 0.00 57.00 52.13 1uit n GLN 26 Cb 0.52 -2.38 0.00 0.00 1.02 0.00 0.00 30.24 29.40 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 0.90 0.00 0.00 -1.09 4.01 -0.34 -4.90 118.16 116.75 1uit n LYS 27 Ca 0.30 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 58.10 1uit n LYS 27 Cb 0.36 -0.71 0.00 0.00 -0.51 0.00 0.00 35.03 34.17 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 -0.03 2.37 1.44 0.72 0.00 -0.50 -4.10 105.19 105.10 1uit n GLY 28 Ca 0.00 -0.56 -0.03 0.00 0.00 0.00 0.00 46.02 45.43 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 3.35 -0.74 -4.12 1.61 2.88 -1.26 -4.62 113.62 110.72 1uit n SER 29 Ca 0.00 -1.46 -0.09 0.00 -1.33 0.00 0.00 58.87 55.99 1uit n SER 29 Cb 0.00 0.29 -0.10 0.00 -0.75 0.00 0.00 64.21 63.65 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 0.04 0.69 0.82 -1.46 0.41 -1.26 -5.16 118.70 112.77 1uit s GLU 30 Ca 0.02 -1.22 -0.12 0.00 -0.41 0.00 0.00 54.97 53.25 1uit s GLU 30 Cb 0.12 0.01 0.08 0.00 -1.78 0.00 0.00 34.13 32.57 1uit s GLU 30 CO -0.04 -0.06 1.11 -1.25 -0.49 0.00 0.00 175.26 174.53 1uit s PRO 31 N -3.68 1.89 -0.04 0.39 0.04 -1.26 -4.85 135.00 127.50 1uit s PRO 31 Ca 0.07 0.57 -0.19 0.00 0.04 0.00 0.00 61.00 61.49 1uit s PRO 31 Cb 0.05 -1.90 -0.12 0.00 0.04 0.00 0.00 34.50 32.57 1uit s PRO 31 CO -0.07 -1.74 0.79 1.25 0.04 0.00 0.00 177.00 177.28 1uit h LEU 32 N -1.17 -0.35 -2.29 -3.56 5.85 -1.97 -3.35 115.31 108.47 1uit h LEU 32 Ca -0.48 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.10 1uit h LEU 32 Cb 1.28 0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.40 1uit h LEU 32 CO 0.60 0.12 0.00 0.61 -0.34 0.00 0.00 178.44 179.43 1uit n GLY 33 N 0.38 0.58 3.41 3.75 0.00 -1.26 -2.07 105.19 109.98 1uit n GLY 33 Ca -0.08 -0.38 -0.15 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.76 0.02 -0.06 -0.61 -4.36 -1.26 -0.39 121.20 111.78 1uit s ILE 34 Ca 0.00 -0.20 -0.04 0.00 -0.26 0.00 0.00 60.65 60.15 1uit s ILE 34 Cb 0.00 -0.90 -0.04 0.00 1.25 0.00 0.00 42.46 42.77 1uit s ILE 34 CO 0.00 -0.11 0.14 -0.55 0.24 0.00 0.00 174.94 174.66 1uit s SER 35 N -1.50 6.21 0.01 4.36 0.15 0.23 -4.95 113.70 118.22 1uit s SER 35 Ca -0.10 0.35 0.02 0.00 0.70 0.00 0.00 55.95 56.92 1uit s SER 35 Cb -0.01 -1.94 -0.01 0.00 -1.71 0.00 0.00 66.02 62.34 1uit s SER 35 CO 0.05 0.33 -0.06 0.27 1.20 0.00 0.00 173.24 175.02 1uit s ILE 36 N -1.17 0.43 0.06 6.45 -5.25 -1.26 0.12 121.20 120.57 1uit s ILE 36 Ca 0.21 -0.57 0.05 0.00 -0.99 0.00 0.00 60.65 59.35 1uit s ILE 36 Cb -0.12 -0.43 -0.03 0.00 2.95 0.00 0.00 42.46 44.84 1uit s ILE 36 CO 0.11 -0.10 -0.14 0.68 -1.79 0.00 0.00 174.94 173.70 1uit s VAL 37 N -0.65 1.07 -0.00 8.37 -7.23 0.82 -4.79 120.40 117.99 1uit s VAL 37 Ca -0.03 -1.19 -0.02 0.00 -1.81 0.00 0.00 61.98 58.93 1uit s VAL 37 Cb -0.05 -1.02 -0.04 0.00 0.56 0.00 0.00 36.38 35.83 1uit s VAL 37 CO 0.00 -0.16 0.15 -0.55 -0.31 0.00 0.00 175.10 174.22 1uit s SER 38 N -1.53 6.12 0.55 4.85 0.15 -1.26 -1.21 113.70 121.37 1uit s SER 38 Ca -0.01 0.27 0.01 0.00 0.70 0.00 0.00 55.95 56.91 1uit s SER 38 Cb -0.09 -1.86 0.03 0.00 -1.71 0.00 0.00 66.02 62.38 1uit s SER 38 CO 0.02 0.26 0.78 -0.83 1.20 0.00 0.00 173.24 174.67 1uit s GLY 39 N -1.90 1.79 -0.59 9.45 0.00 -1.18 -4.98 107.32 109.92 1uit s GLY 39 Ca 0.26 -1.26 -0.06 0.00 0.00 0.00 0.00 44.72 43.66 1uit s GLY 39 CO 0.17 -0.99 3.01 -1.84 0.00 0.00 0.00 173.10 173.45 1uit n GLU 40 N -2.34 2.78 0.00 2.90 0.28 -1.26 -3.66 120.64 119.34 1uit n GLU 40 Ca 0.07 -2.08 0.00 0.00 -0.16 0.00 0.00 57.16 54.99 1uit n GLU 40 Cb 0.59 -2.25 0.00 0.00 1.43 0.00 0.00 31.44 31.21 1uit n GLU 40 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 1uit n LYS 41 N 1.84 0.00 0.00 3.44 3.00 -1.26 -5.16 118.16 120.02 1uit n LYS 41 Ca 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.84 1uit n LYS 41 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.61 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 -0.97 3.95 0.00 3.14 0.00 -1.24 -5.12 105.19 104.95 1uit n GLY 42 Ca 0.00 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.16 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 -1.39 2.80 3.33 -0.02 0.00 -0.98 -4.61 105.19 104.32 1uit n GLY 43 Ca 0.00 -1.80 -0.32 0.00 0.00 0.00 0.00 46.02 43.90 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 -2.30 2.32 -0.03 -0.61 -1.09 -1.26 -3.11 121.20 115.13 1uit s ILE 44 Ca 0.00 -0.99 0.03 0.00 -2.23 0.00 0.00 60.65 57.46 1uit s ILE 44 Cb 0.00 -1.85 0.00 0.00 -1.58 0.00 0.00 42.46 39.03 1uit s ILE 44 CO 0.00 0.58 -0.11 -0.31 -1.23 0.00 0.00 174.94 173.87 1uit s TYR 45 N -0.41 1.12 0.14 3.97 1.51 -0.35 -2.43 117.35 120.91 1uit s TYR 45 Ca 0.04 -0.30 -0.31 0.00 -1.01 0.00 0.00 57.07 55.48 1uit s TYR 45 Cb -0.12 -0.79 -0.10 0.00 -0.11 0.00 0.00 41.96 40.84 1uit s TYR 45 CO 0.02 -0.13 1.66 0.08 -1.11 0.00 0.00 175.55 176.07 1uit s VAL 46 N 0.23 2.59 -0.11 0.71 1.01 -1.26 -0.13 120.40 123.44 1uit s VAL 46 Ca -0.04 0.30 0.21 0.00 0.00 0.00 0.00 61.98 62.45 1uit s VAL 46 Cb -0.10 -3.19 -0.24 0.00 0.00 0.00 0.00 36.38 32.85 1uit s VAL 46 CO 0.01 0.01 0.57 -0.24 0.00 0.00 0.00 175.10 175.45 1uit n SER 47 N 4.65 0.26 -3.61 3.32 2.88 0.32 -3.47 113.62 117.97 1uit n SER 47 Ca 0.15 0.11 -0.02 0.00 -1.33 0.00 0.00 58.87 57.78 1uit n SER 47 Cb 0.38 1.34 -0.02 0.00 -0.75 0.00 0.00 64.21 65.17 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 -3.27 0.18 0.20 -1.46 2.47 -1.20 -4.91 119.74 111.76 1uit s LYS 48 Ca -0.06 -0.07 0.09 0.00 -1.56 0.00 0.00 55.97 54.37 1uit s LYS 48 Cb 0.11 0.08 -0.04 0.00 -1.46 0.00 0.00 37.83 36.52 1uit s LYS 48 CO 0.86 -0.08 -0.18 0.08 0.16 0.00 0.00 175.35 176.19 1uit s VAL 49 N -2.23 1.98 0.36 4.02 1.01 -1.26 0.77 120.40 125.03 1uit s VAL 49 Ca 0.11 -2.10 0.06 0.00 0.00 0.00 0.00 61.98 60.05 1uit s VAL 49 Cb 0.00 -2.01 -0.01 0.00 0.00 0.00 0.00 36.38 34.37 1uit s VAL 49 CO -0.04 -0.39 0.50 -0.89 0.00 0.00 0.00 175.10 174.29 1uit s THR 50 N -2.34 3.97 0.00 3.92 2.01 0.47 -4.92 115.64 118.75 1uit s THR 50 Ca 0.21 -0.94 -0.01 0.00 0.31 0.00 0.00 61.69 61.25 1uit s THR 50 Cb -0.04 -3.38 -0.04 0.00 0.01 0.00 0.00 72.50 69.05 1uit s THR 50 CO 0.09 -0.16 0.14 -0.69 -0.69 0.00 0.00 174.62 173.30 1uit s VAL 51 N -2.23 5.10 -1.17 3.82 1.01 -1.26 -4.22 120.40 121.44 1uit s VAL 51 Ca 0.46 -0.30 -0.07 0.00 0.00 0.00 0.00 61.98 62.07 1uit s VAL 51 Cb -0.10 -3.37 0.06 0.00 0.00 0.00 0.00 36.38 32.97 1uit s VAL 51 CO 0.32 0.32 0.36 0.61 0.00 0.00 0.00 175.10 176.71 1uit n GLY 52 N 0.99 -0.49 3.58 4.51 0.00 -1.26 -4.93 105.19 107.59 1uit n GLY 52 Ca -0.11 0.07 -0.25 0.00 0.00 0.00 0.00 46.02 45.72 1uit n GLY 52 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1uit s SER 53 N -2.55 4.27 0.22 1.61 1.04 -1.26 -5.00 113.70 112.03 1uit s SER 53 Ca 0.30 -0.66 -0.17 0.00 0.48 0.00 0.00 55.95 55.90 1uit s SER 53 Cb -0.16 -0.71 0.23 0.00 0.10 0.00 0.00 66.02 65.48 1uit s SER 53 CO 0.37 0.06 1.49 -0.38 0.98 0.00 0.00 173.24 175.76 1uit n ILE 54 N -0.37 -0.51 0.12 -1.02 2.08 -1.20 0.14 119.36 118.60 1uit n ILE 54 Ca -0.09 2.25 -0.16 0.00 0.56 0.00 0.00 62.75 65.31 1uit n ILE 54 Cb 0.57 -2.97 -0.10 0.00 -0.75 0.00 0.00 39.64 36.40 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 1.31 -0.99 -1.42 -1.39 0.00 -1.69 0.72 119.26 115.80 1uit h ALA 55 Ca 0.33 -0.11 0.45 0.00 0.00 0.00 0.00 54.91 55.57 1uit h ALA 55 Cb 0.57 0.89 -0.11 0.00 0.00 0.00 0.00 17.79 19.14 1uit h ALA 55 CO -0.95 -1.13 0.95 1.25 0.00 0.00 0.00 179.25 179.37 1uit h HIS 56 N -0.76 0.39 0.25 0.00 -0.00 -0.48 1.63 115.15 116.18 1uit h HIS 56 Ca -0.01 0.02 -0.34 0.00 -0.00 0.00 0.00 60.37 60.04 1uit h HIS 56 Cb 0.76 -0.10 0.04 0.00 -0.00 0.00 0.00 27.41 28.12 1uit h HIS 56 CO -0.45 -0.14 -1.49 1.96 -0.00 0.00 0.00 177.93 177.82 1uit h GLN 57 N 0.08 0.53 0.00 5.26 4.20 0.13 -3.15 115.11 122.15 1uit h GLN 57 Ca 0.81 -0.91 0.00 0.00 0.06 0.00 0.00 58.65 58.61 1uit h GLN 57 Cb 2.73 0.34 0.00 0.00 0.30 0.00 0.00 27.48 30.84 1uit h GLN 57 CO -0.30 1.44 0.00 0.00 -0.67 0.00 0.00 178.83 179.30 1uit h ALA 58 N 0.17 1.00 -0.81 3.87 0.00 0.82 -3.45 119.26 120.85 1uit h ALA 58 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1uit h ALA 58 Cb 2.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.96 1uit h ALA 58 CO 0.27 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.93 1uit n GLY 59 N -1.02 0.86 3.91 0.00 0.00 0.35 -4.65 105.19 104.65 1uit n GLY 59 Ca -0.02 -0.71 -0.27 0.00 0.00 0.00 0.00 46.02 45.03 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 -0.81 3.45 0.27 0.99 1.43 -1.14 -5.05 118.68 117.82 1uit s LEU 60 Ca 0.00 0.83 -0.20 0.00 -1.03 0.00 0.00 54.13 53.73 1uit s LEU 60 Cb 0.00 -3.73 0.02 0.00 0.03 0.00 0.00 46.19 42.51 1uit s LEU 60 CO 0.00 -0.79 0.68 -1.83 0.23 0.00 0.00 176.35 174.63 1uit s GLU 61 N -4.85 1.72 0.54 1.70 1.03 -1.26 -4.79 118.70 112.78 1uit s GLU 61 Ca 0.50 -0.99 -0.18 0.00 0.03 0.00 0.00 54.97 54.34 1uit s GLU 61 Cb -0.10 0.59 -0.06 0.00 -0.80 0.00 0.00 34.13 33.75 1uit s GLU 61 CO 0.45 -0.78 1.04 -0.47 -1.33 0.00 0.00 175.26 174.17 1uit s TYR 62 N -3.92 3.07 0.00 4.83 6.14 -1.26 -3.34 117.35 122.87 1uit s TYR 62 Ca 0.12 1.53 0.00 0.00 0.64 0.00 0.00 57.07 59.36 1uit s TYR 62 Cb -0.05 -2.99 0.00 0.00 0.42 0.00 0.00 41.96 39.34 1uit s TYR 62 CO 0.06 -0.88 0.00 0.41 0.64 0.00 0.00 175.55 175.78 1uit n GLY 63 N -0.80 2.64 3.55 8.97 0.00 -1.23 -4.97 105.19 113.36 1uit n GLY 63 Ca 0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.08 5.55 -0.26 1.61 1.01 -1.21 -3.94 116.67 117.34 1uit s ASP 64 Ca 0.00 0.08 -0.29 0.00 0.71 0.00 0.00 52.55 53.05 1uit s ASP 64 Cb 0.00 -2.54 -0.03 0.00 1.01 0.00 0.00 42.92 41.36 1uit s ASP 64 CO 0.00 -2.21 1.81 -1.58 0.21 0.00 0.00 175.17 173.40 1uit s GLN 65 N 6.63 3.50 -0.19 8.23 0.74 -1.25 -4.07 119.66 133.26 1uit s GLN 65 Ca 0.57 1.65 -0.29 0.00 0.05 0.00 0.00 55.36 57.34 1uit s GLN 65 Cb -0.11 -4.17 -0.03 0.00 1.10 0.00 0.00 33.01 29.81 1uit s GLN 65 CO 0.19 -1.66 1.51 -0.51 -0.55 0.00 0.00 175.29 174.26 1uit s LEU 66 N 6.41 4.04 -0.10 3.68 1.43 -1.02 -2.12 118.68 131.01 1uit s LEU 66 Ca 0.81 1.70 -0.04 0.00 -1.03 0.00 0.00 54.13 55.57 1uit s LEU 66 Cb -0.26 -3.53 -0.01 0.00 0.03 0.00 0.00 46.19 42.41 1uit s LEU 66 CO 0.33 -1.06 -0.08 -0.07 0.23 0.00 0.00 176.35 175.70 1uit h LEU 67 N 10.86 0.00 -7.71 1.79 3.38 -0.34 -3.35 115.31 119.95 1uit h LEU 67 Ca -0.32 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.40 1uit h LEU 67 Cb 1.14 0.00 -0.29 0.00 0.09 0.00 0.00 40.66 41.60 1uit h LEU 67 CO 0.99 0.50 -0.72 -1.61 0.09 0.00 0.00 178.44 177.69 1uit s GLU 68 N -1.75 0.02 -0.34 1.13 2.02 -0.84 -1.67 118.70 117.28 1uit s GLU 68 Ca -0.07 0.02 -0.08 0.00 0.02 0.00 0.00 54.97 54.86 1uit s GLU 68 Cb 0.01 -0.07 0.03 0.00 0.10 0.00 0.00 34.13 34.20 1uit s GLU 68 CO 0.10 -0.02 0.12 0.12 0.02 0.00 0.00 175.26 175.61 1uit s PHE 69 N 0.16 3.23 -0.73 1.61 2.19 0.36 0.19 117.98 124.99 1uit s PHE 69 Ca -0.01 -1.20 0.00 0.00 0.33 0.00 0.00 56.93 56.05 1uit s PHE 69 Cb -0.02 -2.31 0.00 0.00 -1.31 0.00 0.00 43.02 39.38 1uit s PHE 69 CO -0.00 -0.67 0.00 -1.71 1.83 0.00 0.00 175.22 174.66 1uit n ASN 70 N 4.87 -2.47 0.00 6.13 2.85 0.31 0.19 115.26 127.15 1uit n ASN 70 Ca -0.13 0.26 0.00 0.00 -0.11 0.00 0.00 54.58 54.60 1uit n ASN 70 Cb 0.46 -2.30 0.00 0.00 1.24 0.00 0.00 39.78 39.18 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 -0.44 2.15 3.67 8.20 0.00 -1.26 -4.94 105.19 112.56 1uit n GLY 71 Ca -0.09 -0.58 -0.46 0.00 0.00 0.00 0.00 46.02 44.90 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 0.18 -2.57 -0.61 5.41 0.52 -4.85 119.36 117.45 1uit n ILE 72 Ca 0.00 -0.05 -0.41 0.00 1.00 0.00 0.00 62.75 63.29 1uit n ILE 72 Cb 0.00 -1.50 -0.03 0.00 -0.71 0.00 0.00 39.64 37.40 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 0.77 6.50 0.30 4.38 3.04 -1.26 0.14 114.94 128.80 1uit s ASN 73 Ca 0.77 -1.44 0.04 0.00 0.04 0.00 0.00 52.86 52.27 1uit s ASN 73 Cb -0.68 -2.57 0.49 0.00 -1.54 0.00 0.00 41.25 36.95 1uit s ASN 73 CO 0.40 -1.51 1.76 -0.07 -3.04 0.00 0.00 177.10 174.65 1uit h LEU 74 N 12.76 0.41 -1.95 3.21 3.38 -1.59 -2.50 115.31 129.03 1uit h LEU 74 Ca 0.19 -0.13 0.40 0.00 0.09 0.00 0.00 57.88 58.43 1uit h LEU 74 Cb 1.01 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.59 1uit h LEU 74 CO 1.42 0.65 1.02 0.03 0.09 0.00 0.00 178.44 181.65 1uit h ARG 75 N 0.37 0.00 -1.35 1.13 3.08 -1.45 0.41 114.38 116.57 1uit h ARG 75 Ca 0.06 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.58 1uit h ARG 75 Cb 0.62 0.00 -0.42 0.00 0.08 0.00 0.00 29.97 30.25 1uit h ARG 75 CO 0.04 0.00 -0.85 0.45 -1.07 0.00 0.00 179.97 178.54 1uit n SER 76 N -4.04 3.89 -4.32 7.04 2.88 -0.94 -2.31 113.62 115.81 1uit n SER 76 Ca 0.30 -3.45 -0.19 0.00 -1.33 0.00 0.00 58.87 54.20 1uit n SER 76 Cb 1.45 -0.47 -0.10 0.00 -0.75 0.00 0.00 64.21 64.34 1uit n SER 76 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1uit s ALA 77 N -3.45 1.88 0.19 -1.46 0.00 0.14 -4.98 121.76 114.08 1uit s ALA 77 Ca 0.43 -1.55 0.04 0.00 0.00 0.00 0.00 51.96 50.87 1uit s ALA 77 Cb 0.41 -0.09 -0.03 0.00 0.00 0.00 0.00 23.12 23.41 1uit s ALA 77 CO -0.12 0.09 0.32 0.95 0.00 0.00 0.00 175.76 176.99 1uit s THR 78 N -2.70 5.29 0.33 0.00 -4.23 -1.26 -4.41 115.64 108.66 1uit s THR 78 Ca 0.18 -0.83 0.07 0.00 -1.18 0.00 0.00 61.69 59.94 1uit s THR 78 Cb -0.02 -3.80 0.31 0.00 1.34 0.00 0.00 72.50 70.34 1uit s THR 78 CO 0.06 -0.20 1.82 1.05 -0.54 0.00 0.00 174.62 176.80 1uit h GLU 79 N 1.69 0.72 -0.35 3.99 4.11 -1.93 0.72 114.58 123.53 1uit h GLU 79 Ca -0.50 -0.04 -0.05 0.00 0.07 0.00 0.00 59.36 58.83 1uit h GLU 79 Cb 1.21 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 30.28 1uit h GLU 79 CO 0.65 0.48 -0.01 -0.56 0.07 0.00 0.00 179.01 179.64 1uit h GLN 80 N 0.74 0.55 0.18 1.06 -0.00 -1.96 0.25 115.11 115.94 1uit h GLN 80 Ca 0.52 -0.12 -0.31 0.00 -0.00 0.00 0.00 58.65 58.74 1uit h GLN 80 Cb 0.83 -0.08 0.03 0.00 -0.00 0.00 0.00 27.48 28.26 1uit h GLN 80 CO -0.29 0.59 -1.35 1.96 -0.00 0.00 0.00 178.83 179.73 1uit h GLN 81 N 0.53 0.53 -0.56 0.06 4.20 -0.70 -3.03 115.11 116.13 1uit h GLN 81 Ca 0.11 -0.81 -0.06 0.00 0.06 0.00 0.00 58.65 57.95 1uit h GLN 81 Cb 0.35 0.29 -0.02 0.00 0.30 0.00 0.00 27.48 28.40 1uit h GLN 81 CO 0.01 1.38 0.12 0.00 -0.67 0.00 0.00 178.83 179.67 1uit h ALA 82 N 0.29 0.74 0.00 3.87 0.00 0.51 1.15 119.26 125.82 1uit h ALA 82 Ca -0.21 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1uit h ALA 82 Cb 2.04 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.61 1uit h ALA 82 CO 0.25 0.46 0.00 0.54 0.00 0.00 0.00 179.25 180.50 1uit n ARG 83 N -4.38 0.16 -0.08 0.00 1.74 0.84 -2.02 116.66 112.94 1uit n ARG 83 Ca 0.02 0.16 -0.14 0.00 -0.77 0.00 0.00 57.85 57.13 1uit n ARG 83 Cb 0.25 -1.50 -0.05 0.00 -1.02 0.00 0.00 32.46 30.14 1uit n ARG 83 CO 0.00 0.00 0.00 1.47 -1.52 0.00 0.00 177.63 177.58 1uit n LEU 84 N -1.34 1.58 -0.30 0.55 -0.00 -0.40 -3.81 117.00 113.28 1uit n LEU 84 Ca 0.06 0.26 0.12 0.00 -0.00 0.00 0.00 56.01 56.46 1uit n LEU 84 Cb 0.14 -0.62 0.29 0.00 -0.00 0.00 0.00 43.42 43.24 1uit n LEU 84 CO 0.13 -0.01 1.01 0.40 -0.00 0.00 0.00 177.39 178.92 1uit h ILE 85 N -0.73 0.44 -0.03 1.47 2.04 0.13 1.36 117.51 122.19 1uit h ILE 85 Ca -0.25 -0.12 -0.12 0.00 1.00 0.00 0.00 64.86 65.38 1uit h ILE 85 Cb 1.08 0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 1uit h ILE 85 CO -0.15 0.06 -0.52 0.16 0.00 0.00 0.00 178.15 177.70 1uit h ILE 86 N 0.34 1.37 -0.56 -0.67 3.07 -1.62 -2.66 117.51 116.78 1uit h ILE 86 Ca 0.54 -1.79 -0.28 0.00 1.55 0.00 0.00 64.86 64.88 1uit h ILE 86 Cb 1.04 1.93 -0.16 0.00 -0.27 0.00 0.00 36.82 39.36 1uit h ILE 86 CO -0.56 0.52 0.35 0.61 -1.05 0.00 0.00 178.15 178.02 1uit n GLY 87 N 0.01 3.36 1.58 0.16 0.00 0.45 -4.41 105.19 106.35 1uit n GLY 87 Ca -0.02 -0.63 -0.08 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.39 0.82 -0.04 1.61 6.02 -0.21 -4.94 117.38 120.24 1uit n GLN 88 Ca 0.33 -1.26 0.00 0.00 -0.01 0.00 0.00 57.00 56.07 1uit n GLN 88 Cb 1.16 -0.11 0.00 0.00 1.02 0.00 0.00 30.24 32.31 1uit n GLN 88 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1uit n GLN 89 N -1.52 1.01 0.00 -1.09 -0.00 -1.26 -5.00 117.38 109.51 1uit n GLN 89 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.07 1uit n GLN 89 Cb 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 30.24 30.48 1uit n GLN 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1uit h ASP 91 N 0.00 0.20 -2.80 0.00 5.19 -1.94 -3.22 116.42 113.85 1uit h ASP 91 Ca 0.00 0.12 -0.50 0.00 -0.62 0.00 0.00 57.03 56.04 1uit h ASP 91 Cb 0.00 0.12 -0.40 0.00 0.18 0.00 0.00 39.33 39.23 1uit h ASP 91 CO 0.00 -0.18 -0.76 -0.89 -3.12 0.00 0.00 179.24 174.29 1uit s THR 92 N -5.23 -0.10 0.04 0.35 2.01 -1.26 -1.20 115.64 110.25 1uit s THR 92 Ca -0.07 -0.59 0.07 0.00 0.31 0.00 0.00 61.69 61.41 1uit s THR 92 Cb 0.30 -0.88 -0.03 0.00 0.01 0.00 0.00 72.50 71.89 1uit s THR 92 CO 0.83 -0.60 -0.18 -0.51 -0.69 0.00 0.00 174.62 173.47 1uit s ILE 93 N 2.13 2.82 0.20 1.82 -1.16 -0.42 -4.92 121.20 121.68 1uit s ILE 93 Ca 0.07 -1.19 0.05 0.00 -0.51 0.00 0.00 60.65 59.07 1uit s ILE 93 Cb -0.16 -2.19 -0.03 0.00 0.61 0.00 0.00 42.46 40.69 1uit s ILE 93 CO -0.30 0.33 0.24 -0.89 -2.81 0.00 0.00 174.94 171.51 1uit s THR 94 N -0.94 4.85 0.04 4.00 2.01 -1.26 0.49 115.64 124.83 1uit s THR 94 Ca 0.15 -1.07 0.04 0.00 0.31 0.00 0.00 61.69 61.12 1uit s THR 94 Cb -0.11 -3.56 -0.02 0.00 0.01 0.00 0.00 72.50 68.82 1uit s THR 94 CO 0.06 -0.23 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.01 1uit s ILE 95 N -1.92 0.90 -0.43 1.82 1.01 0.19 0.12 121.20 122.88 1uit s ILE 95 Ca 0.33 -0.99 -0.04 0.00 0.00 0.00 0.00 60.65 59.95 1uit s ILE 95 Cb -0.09 -0.85 0.11 0.00 0.01 0.00 0.00 42.46 41.64 1uit s ILE 95 CO 0.26 -0.12 0.23 -0.22 0.00 0.00 0.00 174.94 175.10 1uit s LEU 96 N -1.25 5.30 0.27 2.97 2.96 0.50 0.56 118.68 129.99 1uit s LEU 96 Ca -0.02 -2.07 0.08 0.00 -0.22 0.00 0.00 54.13 51.90 1uit s LEU 96 Cb -0.08 -1.85 -0.04 0.00 0.50 0.00 0.00 46.19 44.72 1uit s LEU 96 CO 0.01 -0.55 0.12 0.00 -1.32 0.00 0.00 176.35 174.61 1uit s ALA 97 N 1.09 3.43 -0.36 5.97 0.00 -1.09 0.45 121.76 131.25 1uit s ALA 97 Ca 0.09 -1.56 0.04 0.00 0.00 0.00 0.00 51.96 50.52 1uit s ALA 97 Cb -0.23 -1.04 0.16 0.00 0.00 0.00 0.00 23.12 22.02 1uit s ALA 97 CO -0.04 0.22 0.46 -1.14 0.00 0.00 0.00 175.76 175.26 1uit s GLN 98 N -3.79 0.63 -0.41 0.00 0.74 -0.90 -1.57 119.66 114.37 1uit s GLN 98 Ca 0.33 -0.43 -0.44 0.00 0.05 0.00 0.00 55.36 54.88 1uit s GLN 98 Cb -0.07 -0.37 -0.18 0.00 1.10 0.00 0.00 33.01 33.49 1uit s GLN 98 CO 0.23 -1.15 1.69 0.98 -0.55 0.00 0.00 175.29 176.49 1uit n TYR 99 N 4.58 1.86 -3.94 1.67 4.19 -1.26 -3.88 117.16 120.38 1uit n TYR 99 Ca 0.08 0.86 -0.34 0.00 3.31 0.00 0.00 57.90 61.81 1uit n TYR 99 Cb 0.50 -2.33 -0.14 0.00 0.49 0.00 0.00 39.34 37.85 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 3.42 4.71 -0.55 2.98 2.47 -1.25 -3.83 114.94 122.89 1uit s ASN 100 Ca 1.03 -1.21 -0.06 0.00 0.42 0.00 0.00 52.86 53.04 1uit s ASN 100 Cb -1.31 -1.68 -0.14 0.00 -1.45 0.00 0.00 41.25 36.67 1uit s ASN 100 CO 0.74 -0.22 2.69 -0.81 -3.72 0.00 0.00 177.10 175.78 1uit n PRO 101 N 4.60 2.08 -2.70 0.43 -0.04 -1.26 -3.77 135.00 134.35 1uit n PRO 101 Ca -0.14 -1.21 -0.08 0.00 -0.04 0.00 0.00 63.50 62.03 1uit n PRO 101 Cb 0.44 -2.20 0.10 0.00 -0.04 0.00 0.00 33.50 31.80 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 3.21 -1.81 -2.84 0.54 8.25 -1.26 -4.98 115.22 116.32 1uit n HIS 102 Ca 0.45 -2.10 -0.11 0.00 -0.26 0.00 0.00 57.72 55.69 1uit n HIS 102 Cb 0.46 1.23 0.05 0.00 1.12 0.00 0.00 29.99 32.85 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 -0.46 -0.07 -3.67 1.59 3.14 -1.25 -5.10 118.33 112.50 1uit n VAL 103 Ca -0.00 -2.19 -0.09 0.00 -2.96 0.00 0.00 64.34 59.09 1uit n VAL 103 Cb 0.84 0.98 -0.10 0.00 -1.06 0.00 0.00 33.84 34.50 1uit n VAL 103 CO 0.00 0.00 0.00 -2.28 -6.46 0.00 0.00 176.83 168.09 1uit s HIS 104 N -0.21 -0.71 -0.32 1.45 5.04 -1.26 -4.89 115.29 114.40 1uit s HIS 104 Ca 0.28 1.42 0.05 0.00 -1.54 0.00 0.00 55.06 55.26 1uit s HIS 104 Cb 0.28 0.28 0.19 0.00 0.04 0.00 0.00 32.58 33.38 1uit s HIS 104 CO -0.10 -0.42 0.64 -1.14 -2.34 0.00 0.00 174.74 171.39 1uit s GLN 105 N 2.06 0.58 0.00 2.88 0.74 -1.26 -5.00 119.66 119.66 1uit s GLN 105 Ca -0.05 0.33 0.00 0.00 0.05 0.00 0.00 55.36 55.69 1uit s GLN 105 Cb -0.10 0.20 0.00 0.00 1.10 0.00 0.00 33.01 34.21 1uit s GLN 105 CO -0.13 -1.00 0.00 1.28 -0.55 0.00 0.00 175.29 174.89 1uit n LEU 106 N 5.14 0.00 -3.13 3.68 4.32 -1.26 -4.79 117.00 120.97 1uit n LEU 106 Ca 0.07 0.00 -0.02 0.00 -0.02 0.00 0.00 56.01 56.04 1uit n LEU 106 Cb 0.55 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.35 1uit n LEU 106 CO -0.05 0.00 -0.48 -0.24 -1.22 0.00 0.00 177.39 175.39 1uit n SER 107 N 2.24 -6.76 0.00 -1.43 2.88 -1.26 -5.01 113.62 104.28 1uit n SER 107 Ca 0.00 0.54 0.00 0.00 -1.33 0.00 0.00 58.87 58.08 1uit n SER 107 Cb 0.00 -2.21 0.00 0.00 -0.75 0.00 0.00 64.21 61.25 1uit n SER 107 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1uit n SER 108 N 1.12 0.00 -2.90 -3.46 3.41 -1.26 -5.08 113.62 105.45 1uit n SER 108 Ca -0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 58.87 58.57 1uit n SER 108 Cb 0.43 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.38 1uit n SER 108 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1uit n HIS 109 N -0.08 -3.00 -3.61 7.33 8.25 -1.26 -5.05 115.22 117.80 1uit n HIS 109 Ca 0.00 1.30 -0.03 0.00 -0.26 0.00 0.00 57.72 58.73 1uit n HIS 109 Cb 0.00 -3.25 -0.06 0.00 1.12 0.00 0.00 29.99 27.80 1uit n HIS 109 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1uit s SER 110 N -1.66 -0.73 -0.20 0.41 0.15 -1.26 -5.07 113.70 105.35 1uit s SER 110 Ca 0.07 1.12 -0.10 0.00 0.70 0.00 0.00 55.95 57.74 1uit s SER 110 Cb -0.01 1.43 0.04 0.00 -1.71 0.00 0.00 66.02 65.77 1uit s SER 110 CO 0.62 -0.17 0.19 -1.14 1.20 0.00 0.00 173.24 173.94 1uit n ARG 111 N 4.24 -4.22 -3.84 5.44 3.00 -1.26 -5.00 116.66 115.01 1uit n ARG 111 Ca -0.17 3.22 -0.31 0.00 -0.00 0.00 0.00 57.85 60.59 1uit n ARG 111 Cb 0.57 -4.89 -0.04 0.00 0.00 0.00 0.00 32.46 28.09 1uit n ARG 111 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 1uit s SER 112 N -0.82 6.40 0.13 6.15 0.01 -1.26 -5.11 113.70 119.19 1uit s SER 112 Ca -0.22 0.37 -0.05 0.00 1.31 0.00 0.00 55.95 57.36 1uit s SER 112 Cb 0.01 -2.00 -0.02 0.00 0.21 0.00 0.00 66.02 64.22 1uit s SER 112 CO 0.75 0.14 0.14 -0.83 0.41 0.00 0.00 173.24 173.85 1uit s GLY 113 N -2.47 0.63 -0.19 3.44 0.00 -1.26 -5.12 107.32 102.34 1uit s GLY 113 Ca 0.37 -1.13 -0.29 0.00 0.00 0.00 0.00 44.72 43.67 1uit s GLY 113 CO 0.27 -1.10 1.29 2.56 0.00 0.00 0.00 173.10 176.11 1uit s PRO 114 N -3.98 4.16 -0.81 2.90 0.04 -1.26 -4.97 135.00 131.08 1uit s PRO 114 Ca 0.17 1.59 -0.19 0.00 0.04 0.00 0.00 61.00 62.61 1uit s PRO 114 Cb 0.06 -3.80 0.13 0.00 0.04 0.00 0.00 34.50 30.93 1uit s PRO 114 CO -0.02 -0.80 0.97 -1.54 0.04 0.00 0.00 177.00 175.64 1uit s SER 115 N 2.22 6.49 -0.34 6.66 1.04 -1.26 -4.59 113.70 123.92 1uit s SER 115 Ca 0.56 -1.86 -0.05 0.00 0.48 0.00 0.00 55.95 55.08 1uit s SER 115 Cb -0.21 -2.36 0.01 0.00 0.10 0.00 0.00 66.02 63.56 1uit s SER 115 CO 0.17 -1.06 0.19 -1.20 0.98 0.00 0.00 173.24 172.31 1uit n SER 116 N 6.30 -7.99 0.00 7.02 7.64 -1.26 -5.37 113.62 119.97 1uit n SER 116 Ca 0.12 1.14 0.00 0.00 1.01 0.00 0.00 58.87 61.14 1uit n SER 116 Cb 0.47 -5.28 0.00 0.00 -1.01 0.00 0.00 64.21 58.39 1uit n SER 116 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64