#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uit n SER 2 N 0.00 -6.69 -4.06 1.61 3.41 -1.26 -4.95 113.62 101.69 1uit n SER 2 Ca 0.00 0.82 -0.16 0.00 -0.26 0.00 0.00 58.87 59.27 1uit n SER 2 Cb 0.00 -4.00 -0.13 0.00 -0.26 0.00 0.00 64.21 59.82 1uit n SER 2 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1uit s SER 3 N -6.28 1.04 0.00 4.04 1.04 -1.26 -4.95 113.70 107.34 1uit s SER 3 Ca 0.00 -0.40 0.00 0.00 0.48 0.00 0.00 55.95 56.03 1uit s SER 3 Cb 0.00 -0.04 0.00 0.00 0.10 0.00 0.00 66.02 66.08 1uit s SER 3 CO 0.00 -0.06 0.00 0.61 0.98 0.00 0.00 173.24 174.77 1uit n GLY 4 N 1.99 -0.20 3.39 7.32 0.00 -1.26 -5.11 105.19 111.32 1uit n GLY 4 Ca -0.19 -0.27 -0.20 0.00 0.00 0.00 0.00 46.02 45.36 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 -1.59 2.49 -0.66 1.61 0.01 -1.26 -5.09 113.70 109.21 1uit s SER 5 Ca 0.00 -1.18 -0.22 0.00 1.31 0.00 0.00 55.95 55.86 1uit s SER 5 Cb 0.00 -0.12 0.07 0.00 0.21 0.00 0.00 66.02 66.18 1uit s SER 5 CO 0.00 -0.37 0.96 -0.94 0.41 0.00 0.00 173.24 173.30 1uit s SER 6 N -3.39 6.18 0.00 2.44 1.04 -1.26 -4.82 113.70 113.88 1uit s SER 6 Ca 0.28 -0.99 0.00 0.00 0.48 0.00 0.00 55.95 55.72 1uit s SER 6 Cb 0.04 -2.42 0.00 0.00 0.10 0.00 0.00 66.02 63.74 1uit s SER 6 CO 0.10 -1.43 0.00 0.61 0.98 0.00 0.00 173.24 173.50 1uit n GLY 7 N 5.32 2.43 3.37 7.32 0.00 -1.26 -5.19 105.19 117.18 1uit n GLY 7 Ca -0.04 0.16 -0.12 0.00 0.00 0.00 0.00 46.02 46.01 1uit n GLY 7 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1uit s GLY 8 N 0.00 -0.41 -0.46 -0.02 0.00 -1.26 -5.09 107.32 100.08 1uit s GLY 8 Ca 0.00 0.34 0.06 0.00 0.00 0.00 0.00 44.72 45.12 1uit s GLY 8 CO 0.00 0.05 1.13 -1.84 0.00 0.00 0.00 173.10 172.45 1uit n GLU 9 N 0.02 1.03 -3.09 2.90 0.00 -1.26 -5.08 120.64 115.16 1uit n GLU 9 Ca -0.17 -1.92 -0.45 0.00 0.00 0.00 0.00 57.16 54.62 1uit n GLU 9 Cb 0.62 -0.97 -0.03 0.00 0.00 0.00 0.00 31.44 31.06 1uit n GLU 9 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.13 177.63 1uit s ARG 10 N 0.27 3.32 0.01 3.44 3.52 -1.26 -4.53 118.95 123.72 1uit s ARG 10 Ca 0.22 -1.65 0.00 0.00 -0.13 0.00 0.00 55.73 54.17 1uit s ARG 10 Cb 0.30 -4.48 0.00 0.00 -1.56 0.00 0.00 34.95 29.21 1uit s ARG 10 CO -0.05 -1.58 0.00 2.89 -0.81 0.00 0.00 175.30 175.75 1uit n ARG 11 N 6.00 0.00 -3.73 5.12 1.85 -1.26 -5.11 116.66 119.53 1uit n ARG 11 Ca 0.05 0.00 -0.33 0.00 -1.00 0.00 0.00 57.85 56.57 1uit n ARG 11 Cb 0.45 0.00 -0.05 0.00 -1.05 0.00 0.00 32.46 31.82 1uit n ARG 11 CO 0.00 0.00 0.00 0.21 -0.01 0.00 0.00 177.63 177.83 1uit s LYS 12 N -2.00 3.59 -0.05 2.89 2.47 -1.26 -5.10 119.74 120.29 1uit s LYS 12 Ca 0.00 -0.11 0.03 0.00 -1.56 0.00 0.00 55.97 54.33 1uit s LYS 12 Cb 0.00 -2.98 0.00 0.00 -1.46 0.00 0.00 37.83 33.40 1uit s LYS 12 CO 0.00 0.56 -0.13 0.16 0.16 0.00 0.00 175.35 176.10 1uit s ASP 13 N -2.11 1.74 -0.43 1.43 -4.77 -1.26 -5.11 116.67 106.17 1uit s ASP 13 Ca 0.34 -0.28 -0.05 0.00 -3.30 0.00 0.00 52.55 49.26 1uit s ASP 13 Cb -0.13 -0.60 0.11 0.00 -1.09 0.00 0.00 42.92 41.22 1uit s ASP 13 CO 0.21 0.08 0.25 -0.13 0.70 0.00 0.00 175.17 176.29 1uit s ARG 14 N 0.31 2.16 0.42 2.11 0.52 -1.26 -4.91 118.95 118.29 1uit s ARG 14 Ca -0.07 -1.81 0.27 0.00 -0.52 0.00 0.00 55.73 53.60 1uit s ARG 14 Cb -0.12 -3.70 0.88 0.00 0.52 0.00 0.00 34.95 32.52 1uit s ARG 14 CO 0.02 -1.12 1.79 -1.00 0.02 0.00 0.00 175.30 175.01 1uit h PRO 15 N 8.17 0.00 -0.63 3.54 0.13 -2.02 -3.31 132.00 137.88 1uit h PRO 15 Ca -0.15 0.00 0.09 0.00 -0.87 0.00 0.00 66.00 65.07 1uit h PRO 15 Cb 1.05 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.07 1uit h PRO 15 CO 0.75 0.00 -0.43 1.88 -0.23 0.00 0.00 178.00 179.97 1uit h TYR 16 N 0.00 -1.28 -2.39 1.56 0.05 -2.05 -3.39 116.97 109.48 1uit h TYR 16 Ca 0.00 0.09 -0.23 0.00 0.05 0.00 0.00 58.73 58.63 1uit h TYR 16 Cb 0.69 0.65 -0.33 0.00 1.01 0.00 0.00 36.73 38.75 1uit h TYR 16 CO 0.00 -0.42 -0.55 0.54 -1.05 0.00 0.00 178.16 176.68 1uit s VAL 17 N -5.84 -0.45 -0.64 -2.88 0.11 -1.24 -4.99 120.40 104.47 1uit s VAL 17 Ca -0.14 -0.01 -0.35 0.00 -2.93 0.00 0.00 61.98 58.55 1uit s VAL 17 Cb 0.14 -0.67 -0.17 0.00 -1.53 0.00 0.00 36.38 34.15 1uit s VAL 17 CO 0.66 -0.10 2.39 -0.62 -3.33 0.00 0.00 175.10 174.10 1uit n GLU 18 N 5.34 0.41 -0.98 1.54 1.02 -1.26 -4.80 120.64 121.91 1uit n GLU 18 Ca -0.05 0.07 -0.33 0.00 -0.02 0.00 0.00 57.16 56.83 1uit n GLU 18 Cb 0.50 -2.00 0.02 0.00 -0.02 0.00 0.00 31.44 29.94 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 8.24 0.00 -2.51 3.49 1.02 -1.26 -4.12 120.64 125.49 1uit n GLU 19 Ca 0.53 0.00 -0.39 0.00 -0.02 0.00 0.00 57.16 57.28 1uit n GLU 19 Cb 0.13 -0.89 -0.04 0.00 -0.02 0.00 0.00 31.44 30.62 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 -1.40 4.57 0.32 3.49 0.04 -1.26 -4.67 135.00 136.09 1uit s PRO 20 Ca 0.42 1.72 0.08 0.00 0.04 0.00 0.00 61.00 63.26 1uit s PRO 20 Cb -0.28 -3.07 -0.04 0.00 0.04 0.00 0.00 34.50 31.15 1uit s PRO 20 CO 0.67 0.17 0.15 -0.98 0.04 0.00 0.00 177.00 177.05 1uit s ARG 21 N -1.63 2.45 -0.50 4.56 1.70 -0.48 -4.91 118.95 120.14 1uit s ARG 21 Ca 0.47 -1.45 -0.02 0.00 -0.47 0.00 0.00 55.73 54.26 1uit s ARG 21 Cb -0.29 -2.24 0.13 0.00 -0.57 0.00 0.00 34.95 31.97 1uit s ARG 21 CO 0.37 0.17 0.29 -1.01 -1.08 0.00 0.00 175.30 174.05 1uit s HIS 22 N -2.37 3.49 -0.24 5.89 3.76 -1.26 -1.55 115.29 123.01 1uit s HIS 22 Ca 0.37 -2.67 -0.24 0.00 -0.15 0.00 0.00 55.06 52.37 1uit s HIS 22 Cb -0.04 -3.15 -0.01 0.00 1.11 0.00 0.00 32.58 30.50 1uit s HIS 22 CO 0.23 -0.89 0.78 0.08 -0.85 0.00 0.00 174.74 174.09 1uit s VAL 23 N 0.48 4.87 0.38 -0.90 1.01 0.02 -4.84 120.40 121.42 1uit s VAL 23 Ca 0.13 1.47 -0.12 0.00 0.00 0.00 0.00 61.98 63.46 1uit s VAL 23 Cb -0.22 -4.07 -0.07 0.00 0.00 0.00 0.00 36.38 32.02 1uit s VAL 23 CO -0.04 -0.04 0.75 -0.54 0.00 0.00 0.00 175.10 175.23 1uit s LYS 24 N 2.72 3.85 -0.04 2.72 1.02 -1.26 -0.79 119.74 127.95 1uit s LYS 24 Ca 0.33 0.53 0.02 0.00 0.02 0.00 0.00 55.97 56.87 1uit s LYS 24 Cb -0.15 -2.41 0.01 0.00 -0.52 0.00 0.00 37.83 34.76 1uit s LYS 24 CO 0.08 0.03 -0.09 0.08 -0.92 0.00 0.00 175.35 174.53 1uit s VAL 25 N -2.24 0.82 -0.86 3.17 1.01 0.18 -4.49 120.40 118.00 1uit s VAL 25 Ca 0.52 -0.33 0.01 0.00 0.00 0.00 0.00 61.98 62.18 1uit s VAL 25 Cb -0.10 -0.76 0.28 0.00 0.00 0.00 0.00 36.38 35.79 1uit s VAL 25 CO 0.27 0.27 1.10 0.00 0.00 0.00 0.00 175.10 176.74 1uit n GLN 26 N 3.66 3.47 0.00 2.72 6.02 -1.26 -1.33 117.38 130.66 1uit n GLN 26 Ca -0.22 -4.61 0.00 0.00 -0.01 0.00 0.00 57.00 52.16 1uit n GLN 26 Cb 0.52 -2.39 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 1.13 0.00 0.00 -1.09 4.01 0.48 -4.87 118.16 117.82 1uit n LYS 27 Ca 0.28 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 58.08 1uit n LYS 27 Cb 0.37 -0.73 0.00 0.00 -0.51 0.00 0.00 35.03 34.16 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 -0.13 2.05 2.67 0.72 0.00 -0.76 -3.96 105.19 105.79 1uit n GLY 28 Ca 0.00 -0.37 -0.02 0.00 0.00 0.00 0.00 46.02 45.62 1uit n GLY 28 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1uit n SER 29 N 3.84 -1.48 -3.93 1.61 7.64 -1.26 -4.63 113.62 115.40 1uit n SER 29 Ca 0.00 -2.24 -0.09 0.00 1.01 0.00 0.00 58.87 57.55 1uit n SER 29 Cb 0.00 0.71 -0.09 0.00 -1.01 0.00 0.00 64.21 63.82 1uit n SER 29 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1uit s GLU 30 N 0.11 0.67 0.87 1.43 2.02 -1.25 -5.17 118.70 117.38 1uit s GLU 30 Ca 0.10 -0.88 -0.12 0.00 0.02 0.00 0.00 54.97 54.09 1uit s GLU 30 Cb 0.45 0.26 0.11 0.00 0.10 0.00 0.00 34.13 35.05 1uit s GLU 30 CO -0.13 -0.18 1.12 -1.25 0.02 0.00 0.00 175.26 174.85 1uit s PRO 31 N -3.16 1.47 -0.09 0.39 0.04 -1.26 -4.84 135.00 127.55 1uit s PRO 31 Ca -0.00 0.41 -0.09 0.00 0.04 0.00 0.00 61.00 61.36 1uit s PRO 31 Cb 0.02 -1.87 -0.07 0.00 0.04 0.00 0.00 34.50 32.62 1uit s PRO 31 CO -0.07 -1.99 0.29 1.25 0.04 0.00 0.00 177.00 176.52 1uit h LEU 32 N -1.35 -0.08 -2.89 -3.56 5.85 -1.95 -3.28 115.31 108.06 1uit h LEU 32 Ca -0.49 -0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.03 1uit h LEU 32 Cb 1.31 0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.36 1uit h LEU 32 CO 0.61 0.50 0.00 0.61 -0.34 0.00 0.00 178.44 179.82 1uit n GLY 33 N 1.45 0.78 3.19 3.75 0.00 -1.26 -1.61 105.19 111.49 1uit n GLY 33 Ca -0.03 -0.29 -0.12 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.96 0.08 -0.01 -0.61 -4.36 -1.26 0.14 121.20 112.21 1uit s ILE 34 Ca 0.00 -0.68 0.02 0.00 -0.26 0.00 0.00 60.65 59.74 1uit s ILE 34 Cb 0.00 -0.69 -0.03 0.00 1.25 0.00 0.00 42.46 42.99 1uit s ILE 34 CO 0.00 -0.37 -0.05 -0.55 0.24 0.00 0.00 174.94 174.21 1uit s SER 35 N -1.65 4.77 0.07 4.36 0.15 0.12 -4.95 113.70 116.57 1uit s SER 35 Ca -0.11 -0.08 0.04 0.00 0.70 0.00 0.00 55.95 56.50 1uit s SER 35 Cb -0.04 -1.17 -0.03 0.00 -1.71 0.00 0.00 66.02 63.07 1uit s SER 35 CO 0.00 0.30 -0.12 0.27 1.20 0.00 0.00 173.24 174.89 1uit s ILE 36 N -0.99 0.94 0.04 6.45 -5.25 -1.26 0.92 121.20 122.05 1uit s ILE 36 Ca 0.17 -1.28 0.02 0.00 -0.99 0.00 0.00 60.65 58.56 1uit s ILE 36 Cb -0.11 -0.98 -0.02 0.00 2.95 0.00 0.00 42.46 44.29 1uit s ILE 36 CO 0.07 -0.31 -0.06 0.68 -1.79 0.00 0.00 174.94 173.53 1uit s VAL 37 N -1.44 0.44 0.05 8.37 -7.23 0.11 -4.77 120.40 115.92 1uit s VAL 37 Ca -0.03 -1.12 0.01 0.00 -1.81 0.00 0.00 61.98 59.03 1uit s VAL 37 Cb -0.09 -0.63 -0.04 0.00 0.56 0.00 0.00 36.38 36.18 1uit s VAL 37 CO 0.02 -0.47 0.09 -0.55 -0.31 0.00 0.00 175.10 173.88 1uit s SER 38 N -1.70 5.67 0.00 4.85 0.15 -1.26 -1.23 113.70 120.18 1uit s SER 38 Ca -0.09 0.08 0.00 0.00 0.70 0.00 0.00 55.95 56.63 1uit s SER 38 Cb -0.08 -1.59 0.00 0.00 -1.71 0.00 0.00 66.02 62.64 1uit s SER 38 CO -0.01 0.21 0.00 0.61 1.20 0.00 0.00 173.24 175.25 1uit n GLY 39 N 0.70 1.64 2.75 9.45 0.00 -1.25 -4.93 105.19 113.55 1uit n GLY 39 Ca -0.10 -1.91 -0.41 0.00 0.00 0.00 0.00 46.02 43.61 1uit n GLY 39 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1uit n GLU 40 N 0.00 2.60 -3.12 1.61 4.71 -1.26 -4.08 120.64 121.10 1uit n GLU 40 Ca 0.00 -2.31 -0.14 0.00 -0.01 0.00 0.00 57.16 54.70 1uit n GLU 40 Cb 0.00 -3.09 0.05 0.00 -1.01 0.00 0.00 31.44 27.39 1uit n GLU 40 CO 0.00 0.00 0.00 1.17 0.09 0.00 0.00 177.13 178.39 1uit n LYS 41 N 5.87 -4.83 0.00 3.49 4.81 -1.26 -5.02 118.16 121.22 1uit n LYS 41 Ca 0.55 0.52 0.00 0.00 -0.87 0.00 0.00 58.31 58.51 1uit n LYS 41 Cb 0.36 -4.63 0.00 0.00 0.02 0.00 0.00 35.03 30.78 1uit n LYS 41 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1uit n GLY 42 N -1.37 4.49 0.00 3.14 0.00 -1.26 -5.11 105.19 105.08 1uit n GLY 42 Ca -0.04 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 44.18 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 0.89 3.15 -0.02 0.00 -1.25 -4.63 105.19 108.32 1uit n GLY 43 Ca 0.00 -1.48 -0.24 0.00 0.00 0.00 0.00 46.02 44.31 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 0.00 1.29 0.10 -0.61 -1.09 -1.26 -3.89 121.20 115.74 1uit s ILE 44 Ca 0.00 -0.78 0.08 0.00 -2.23 0.00 0.00 60.65 57.72 1uit s ILE 44 Cb 0.00 -1.09 -0.03 0.00 -1.58 0.00 0.00 42.46 39.76 1uit s ILE 44 CO 0.00 0.30 -0.19 -0.31 -1.23 0.00 0.00 174.94 173.51 1uit s TYR 45 N -0.48 1.67 0.00 3.97 1.51 -0.37 -1.24 117.35 122.41 1uit s TYR 45 Ca 0.06 -0.43 -0.30 0.00 -1.01 0.00 0.00 57.07 55.38 1uit s TYR 45 Cb -0.07 -0.91 -0.04 0.00 -0.11 0.00 0.00 41.96 40.83 1uit s TYR 45 CO -0.00 0.18 1.08 0.08 -1.11 0.00 0.00 175.55 175.78 1uit s VAL 46 N -1.24 4.52 -0.04 0.71 1.01 -1.26 0.05 120.40 124.15 1uit s VAL 46 Ca 0.05 1.81 0.22 0.00 0.00 0.00 0.00 61.98 64.06 1uit s VAL 46 Cb -0.10 -4.16 -0.33 0.00 0.00 0.00 0.00 36.38 31.80 1uit s VAL 46 CO 0.04 0.11 0.48 -0.24 0.00 0.00 0.00 175.10 175.49 1uit n SER 47 N 4.17 0.03 -3.60 3.32 2.88 0.26 -2.95 113.62 117.73 1uit n SER 47 Ca 0.08 0.01 0.01 0.00 -1.33 0.00 0.00 58.87 57.64 1uit n SER 47 Cb 0.49 1.91 -0.01 0.00 -0.75 0.00 0.00 64.21 65.85 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 -3.47 0.24 -0.21 -1.46 2.47 -1.17 -4.90 119.74 111.23 1uit s LYS 48 Ca -0.08 -0.12 -0.04 0.00 -1.56 0.00 0.00 55.97 54.17 1uit s LYS 48 Cb 0.14 0.09 0.11 0.00 -1.46 0.00 0.00 37.83 36.70 1uit s LYS 48 CO 0.90 -0.11 0.35 0.54 0.16 0.00 0.00 175.35 177.19 1uit s VAL 49 N -2.27 -0.55 0.24 4.02 0.11 -1.26 0.10 120.40 120.80 1uit s VAL 49 Ca 0.13 0.03 -0.31 0.00 -2.93 0.00 0.00 61.98 58.90 1uit s VAL 49 Cb 0.04 -0.70 -0.13 0.00 -1.53 0.00 0.00 36.38 34.06 1uit s VAL 49 CO -0.05 -0.05 1.45 0.41 -3.33 0.00 0.00 175.10 173.53 1uit n THR 50 N 5.36 0.89 -3.02 5.04 -1.04 0.37 -4.88 114.28 116.99 1uit n THR 50 Ca -0.05 -0.22 -0.40 0.00 -2.04 0.00 0.00 64.05 61.34 1uit n THR 50 Cb 0.50 -1.56 -0.05 0.00 -1.82 0.00 0.00 70.33 67.40 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 0.02 4.95 0.00 12.58 1.01 -1.26 -3.42 120.40 134.28 1uit s VAL 51 Ca 0.68 1.52 0.00 0.00 0.00 0.00 0.00 61.98 64.18 1uit s VAL 51 Cb -0.63 -4.07 0.00 0.00 0.00 0.00 0.00 36.38 31.68 1uit s VAL 51 CO 0.49 0.28 0.00 0.61 0.00 0.00 0.00 175.10 176.48 1uit n GLY 52 N 2.87 2.04 3.90 4.51 0.00 -1.26 -5.02 105.19 112.23 1uit n GLY 52 Ca -0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.86 5.34 0.15 1.61 0.15 -1.22 -4.79 113.70 113.09 1uit s SER 53 Ca 0.00 0.88 -0.27 0.00 0.70 0.00 0.00 55.95 57.26 1uit s SER 53 Cb 0.00 -1.71 -0.04 0.00 -1.71 0.00 0.00 66.02 62.57 1uit s SER 53 CO 0.00 -1.32 1.42 -0.38 1.20 0.00 0.00 173.24 174.16 1uit n ILE 54 N -2.88 -0.61 -0.05 6.45 2.08 -1.20 -0.81 119.36 122.33 1uit n ILE 54 Ca 0.06 2.23 -0.01 0.00 0.56 0.00 0.00 62.75 65.59 1uit n ILE 54 Cb 0.58 -2.77 -0.01 0.00 -0.75 0.00 0.00 39.64 36.68 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 -3.33 -0.08 -0.35 -1.39 0.00 -0.63 -0.25 120.51 114.49 1uit n ALA 55 Ca 0.03 0.10 -0.05 0.00 0.00 0.00 0.00 53.44 53.52 1uit n ALA 55 Cb 0.25 0.42 -0.02 0.00 0.00 0.00 0.00 19.45 20.10 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 -3.27 -0.16 -0.23 0.00 -0.00 0.01 0.19 115.22 111.76 1uit n HIS 56 Ca 0.00 1.07 0.04 0.00 -0.00 0.00 0.00 57.72 58.84 1uit n HIS 56 Cb 0.03 -0.71 0.16 0.00 -0.00 0.00 0.00 29.99 29.47 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 0.23 -0.55 1.57 4.20 0.45 0.17 115.11 121.17 1uit h GLN 57 Ca 0.23 -0.01 0.01 0.00 0.06 0.00 0.00 58.65 58.93 1uit h GLN 57 Cb 0.44 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.14 1uit h GLN 57 CO -0.84 0.15 0.37 0.00 -0.67 0.00 0.00 178.83 177.84 1uit h ALA 58 N 1.59 0.70 0.00 3.87 0.00 0.53 -3.47 119.26 122.48 1uit h ALA 58 Ca 0.39 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.26 1uit h ALA 58 Cb 0.64 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1uit h ALA 58 CO -0.50 0.14 0.00 0.41 0.00 0.00 0.00 179.25 179.29 1uit n GLY 59 N -1.25 0.82 3.87 0.00 0.00 0.93 -4.70 105.19 104.86 1uit n GLY 59 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 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 3.86 0.13 0.99 1.43 -1.21 -5.02 118.68 118.85 1uit s LEU 60 Ca 0.00 1.18 -0.05 0.00 -1.03 0.00 0.00 54.13 54.22 1uit s LEU 60 Cb 0.00 -4.05 -0.02 0.00 0.03 0.00 0.00 46.19 42.15 1uit s LEU 60 CO 0.00 -0.38 0.16 -1.83 0.23 0.00 0.00 176.35 174.54 1uit s GLU 61 N -3.72 0.98 0.52 1.70 -1.05 -1.26 -4.81 118.70 111.05 1uit s GLU 61 Ca 0.52 -1.23 -0.16 0.00 -0.15 0.00 0.00 54.97 53.95 1uit s GLU 61 Cb -0.10 0.31 -0.08 0.00 -0.44 0.00 0.00 34.13 33.82 1uit s GLU 61 CO 0.29 -0.31 0.98 -0.47 0.95 0.00 0.00 175.26 176.70 1uit s TYR 62 N -3.97 3.47 0.00 4.83 6.14 -1.26 -3.52 117.35 123.03 1uit s TYR 62 Ca 0.17 1.44 0.00 0.00 0.64 0.00 0.00 57.07 59.31 1uit s TYR 62 Cb 0.05 -2.77 0.00 0.00 0.42 0.00 0.00 41.96 39.66 1uit s TYR 62 CO -0.02 -0.38 0.00 0.41 0.64 0.00 0.00 175.55 176.20 1uit n GLY 63 N -1.66 1.10 3.49 8.97 0.00 -1.15 -4.94 105.19 111.01 1uit n GLY 63 Ca 0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.97 6.61 0.15 1.61 1.11 -1.23 -4.16 116.67 117.79 1uit s ASP 64 Ca 0.00 -1.89 -0.34 0.00 0.18 0.00 0.00 52.55 50.50 1uit s ASP 64 Cb 0.00 -2.46 -0.16 0.00 1.07 0.00 0.00 42.92 41.37 1uit s ASP 64 CO 0.00 -1.21 1.23 1.67 1.18 0.00 0.00 175.17 178.05 1uit n GLN 65 N 7.37 1.22 -3.02 8.23 7.27 -1.26 -4.21 117.38 132.99 1uit n GLN 65 Ca 0.28 0.44 -0.42 0.00 0.07 0.00 0.00 57.00 57.37 1uit n GLN 65 Cb 0.49 -1.99 -0.06 0.00 2.41 0.00 0.00 30.24 31.10 1uit n GLN 65 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 1uit s LEU 66 N 0.59 4.20 0.00 1.69 1.43 -0.37 -3.25 118.68 122.96 1uit s LEU 66 Ca 0.76 0.21 0.00 0.00 -1.03 0.00 0.00 54.13 54.08 1uit s LEU 66 Cb -0.87 -2.93 0.00 0.00 0.03 0.00 0.00 46.19 42.43 1uit s LEU 66 CO 0.50 -0.70 0.00 0.18 0.23 0.00 0.00 176.35 176.56 1uit n LEU 67 N 6.31 0.42 -3.96 1.79 4.77 0.60 -4.13 117.00 122.80 1uit n LEU 67 Ca 0.01 0.38 -0.18 0.00 -0.03 0.00 0.00 56.01 56.19 1uit n LEU 67 Cb 0.48 -0.42 -0.15 0.00 -2.33 0.00 0.00 43.42 41.00 1uit n LEU 67 CO 0.53 -0.42 -0.41 -1.61 -1.33 0.00 0.00 177.39 174.14 1uit s GLU 68 N -0.84 0.60 -0.50 3.23 2.02 -1.16 -0.22 118.70 121.83 1uit s GLU 68 Ca 0.00 -0.21 -0.10 0.00 0.02 0.00 0.00 54.97 54.68 1uit s GLU 68 Cb 0.00 -0.59 0.13 0.00 0.10 0.00 0.00 34.13 33.76 1uit s GLU 68 CO 0.00 0.10 0.39 0.12 0.02 0.00 0.00 175.26 175.88 1uit s PHE 69 N 0.07 3.42 -1.53 1.61 2.19 0.23 -0.12 117.98 123.86 1uit s PHE 69 Ca -0.00 -1.86 0.00 0.00 0.33 0.00 0.00 56.93 55.40 1uit s PHE 69 Cb -0.05 -3.53 0.00 0.00 -1.31 0.00 0.00 43.02 38.12 1uit s PHE 69 CO -0.00 -0.99 0.00 -1.71 1.83 0.00 0.00 175.22 174.35 1uit n ASN 70 N 4.84 -5.11 0.00 6.13 2.85 0.29 -1.14 115.26 123.12 1uit n ASN 70 Ca -0.07 0.36 0.00 0.00 -0.11 0.00 0.00 54.58 54.76 1uit n ASN 70 Cb 0.41 -4.16 0.00 0.00 1.24 0.00 0.00 39.78 37.27 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 -0.05 3.65 3.62 8.20 0.00 -1.26 -4.93 105.19 114.42 1uit n GLY 71 Ca -0.14 -0.96 -0.50 0.00 0.00 0.00 0.00 46.02 44.42 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 0.02 -2.76 -0.61 5.41 -0.29 -4.88 119.36 116.25 1uit n ILE 72 Ca 0.00 -0.00 -0.42 0.00 1.00 0.00 0.00 62.75 63.32 1uit n ILE 72 Cb 0.00 -1.10 -0.03 0.00 -0.71 0.00 0.00 39.64 37.80 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 0.81 7.00 -0.06 4.38 2.47 -1.26 0.76 114.94 129.05 1uit s ASN 73 Ca 0.83 1.25 -0.11 0.00 0.42 0.00 0.00 52.86 55.25 1uit s ASN 73 Cb -0.86 -2.50 -0.30 0.00 -1.45 0.00 0.00 41.25 36.14 1uit s ASN 73 CO 0.44 -0.60 0.64 -0.07 -3.72 0.00 0.00 177.10 173.80 1uit h LEU 74 N 9.27 0.60 -1.30 3.21 -0.00 -0.82 -3.33 115.31 122.93 1uit h LEU 74 Ca -0.21 -0.94 0.44 0.00 -0.00 0.00 0.00 57.88 57.17 1uit h LEU 74 Cb 1.08 -0.19 -0.12 0.00 -0.00 0.00 0.00 40.66 41.42 1uit h LEU 74 CO 0.93 1.79 0.84 0.54 -0.00 0.00 0.00 178.44 182.54 1uit n ARG 75 N -3.61 -0.03 -2.79 1.13 1.74 -1.20 0.11 116.66 112.01 1uit n ARG 75 Ca -0.25 1.13 -0.28 0.00 -0.77 0.00 0.00 57.85 57.68 1uit n ARG 75 Cb 1.06 -2.26 -0.02 0.00 -1.02 0.00 0.00 32.46 30.22 1uit n ARG 75 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1uit n SER 76 N -4.48 4.81 -4.16 0.55 7.64 -1.25 -3.97 113.62 112.76 1uit n SER 76 Ca 0.37 -3.70 -0.20 0.00 1.01 0.00 0.00 58.87 56.35 1uit n SER 76 Cb 1.46 -0.59 -0.09 0.00 -1.01 0.00 0.00 64.21 63.98 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 -3.56 2.13 0.10 -0.43 0.00 0.29 -4.97 121.76 115.32 1uit s ALA 77 Ca 0.48 -1.74 0.09 0.00 0.00 0.00 0.00 51.96 50.79 1uit s ALA 77 Cb 0.31 0.98 -0.03 0.00 0.00 0.00 0.00 23.12 24.38 1uit s ALA 77 CO -0.16 -0.44 -0.22 0.95 0.00 0.00 0.00 175.76 175.90 1uit s THR 78 N -3.53 1.80 0.38 0.00 -4.23 -1.26 -4.85 115.64 103.96 1uit s THR 78 Ca 0.34 -1.54 0.20 0.00 -1.18 0.00 0.00 61.69 59.51 1uit s THR 78 Cb 0.06 -1.62 0.39 0.00 1.34 0.00 0.00 72.50 72.66 1uit s THR 78 CO 0.16 -0.01 1.67 1.05 -0.54 0.00 0.00 174.62 176.96 1uit h GLU 79 N 4.13 0.26 -0.50 3.99 4.11 -1.92 1.59 114.58 126.24 1uit h GLU 79 Ca -0.47 -0.02 -0.10 0.00 0.07 0.00 0.00 59.36 58.84 1uit h GLU 79 Cb 1.18 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.35 1uit h GLU 79 CO 0.40 0.17 -0.10 -0.56 0.07 0.00 0.00 179.01 178.99 1uit h GLN 80 N 0.27 0.91 0.06 1.06 -0.00 -1.96 -1.54 115.11 113.91 1uit h GLN 80 Ca 0.73 -0.32 -0.00 0.00 -0.00 0.00 0.00 58.65 59.06 1uit h GLN 80 Cb 1.90 -0.07 0.00 0.00 -0.00 0.00 0.00 27.48 29.31 1uit h GLN 80 CO -0.49 0.97 -0.03 1.96 -0.00 0.00 0.00 178.83 181.24 1uit h GLN 81 N 0.82 -0.07 -0.95 0.06 7.50 0.13 -2.88 115.11 119.72 1uit h GLN 81 Ca 0.13 0.00 0.26 0.00 0.50 0.00 0.00 58.65 59.55 1uit h GLN 81 Cb 0.63 0.02 -0.14 0.00 0.05 0.00 0.00 27.48 28.04 1uit h GLN 81 CO 0.04 0.43 0.45 0.00 -1.50 0.00 0.00 178.83 178.25 1uit h ALA 82 N -0.41 1.63 -0.27 3.87 0.00 0.12 1.85 119.26 126.05 1uit h ALA 82 Ca -0.01 0.18 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 1uit h ALA 82 Cb 0.54 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 1uit h ALA 82 CO 0.01 -0.44 -0.13 0.00 0.00 0.00 0.00 179.25 178.69 1uit h ARG 83 N 0.36 0.46 0.15 0.00 3.08 -1.35 0.19 114.38 117.28 1uit h ARG 83 Ca 0.63 -0.13 -0.31 0.00 0.07 0.00 0.00 59.98 60.24 1uit h ARG 83 Cb 1.31 -0.05 0.03 0.00 0.08 0.00 0.00 29.97 31.34 1uit h ARG 83 CO -0.58 0.60 -1.31 -0.07 -1.07 0.00 0.00 179.97 177.54 1uit h LEU 84 N 0.43 0.85 0.51 3.04 3.38 0.21 -2.44 115.31 121.30 1uit h LEU 84 Ca 0.08 -0.82 -0.03 0.00 0.09 0.00 0.00 57.88 57.21 1uit h LEU 84 Cb 0.49 -0.27 0.01 0.00 0.09 0.00 0.00 40.66 40.98 1uit h LEU 84 CO 0.03 1.62 -0.25 0.40 0.09 0.00 0.00 178.44 180.33 1uit h ILE 85 N 0.24 0.00 -0.33 1.22 2.04 0.24 -1.79 117.51 119.13 1uit h ILE 85 Ca -0.20 -0.09 0.10 0.00 1.00 0.00 0.00 64.86 65.66 1uit h ILE 85 Cb 1.98 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 38.05 1uit h ILE 85 CO 0.25 0.00 0.42 0.16 0.00 0.00 0.00 178.15 178.98 1uit h ILE 86 N -0.78 0.31 -0.40 -0.67 3.07 -0.77 1.48 117.51 119.75 1uit h ILE 86 Ca -0.07 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.34 1uit h ILE 86 Cb 0.53 0.65 0.00 0.00 -0.27 0.00 0.00 36.82 37.73 1uit h ILE 86 CO 0.12 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 177.83 1uit n GLY 87 N -1.44 1.88 1.59 0.16 0.00 -0.92 -4.70 105.19 101.77 1uit n GLY 87 Ca 0.05 -0.54 -0.14 0.00 0.00 0.00 0.00 46.02 45.39 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 0.58 -2.54 -4.29 1.61 1.13 0.51 -4.96 117.38 109.41 1uit n GLN 88 Ca 0.16 -0.77 -0.27 0.00 -1.94 0.00 0.00 57.00 54.18 1uit n GLN 88 Cb 0.65 -0.82 -0.17 0.00 0.11 0.00 0.00 30.24 30.01 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 -4.10 1.94 -0.30 -1.09 1.11 -1.26 -5.00 119.66 110.97 1uit s GLN 89 Ca 0.33 -0.45 -0.17 0.00 0.01 0.00 0.00 55.36 55.07 1uit s GLN 89 Cb -0.04 -1.73 0.19 0.00 -1.01 0.00 0.00 33.01 30.41 1uit s GLN 89 CO 0.26 -0.12 1.18 0.00 0.01 0.00 0.00 175.29 176.63 1uit h ASP 91 N 6.49 -1.21 -3.24 0.00 5.19 -1.94 -3.34 116.42 118.37 1uit h ASP 91 Ca -0.19 0.25 -0.51 0.00 -0.62 0.00 0.00 57.03 55.97 1uit h ASP 91 Cb 1.14 0.63 -0.36 0.00 0.18 0.00 0.00 39.33 40.91 1uit h ASP 91 CO 0.13 -0.30 -0.80 -0.89 -3.12 0.00 0.00 179.24 174.27 1uit s THR 92 N -6.00 0.93 0.05 0.35 2.01 -1.26 -0.39 115.64 111.34 1uit s THR 92 Ca -0.14 -0.26 0.05 0.00 0.31 0.00 0.00 61.69 61.65 1uit s THR 92 Cb 0.18 -0.95 -0.02 0.00 0.01 0.00 0.00 72.50 71.71 1uit s THR 92 CO 0.70 0.34 -0.14 -0.51 -0.69 0.00 0.00 174.62 174.33 1uit s ILE 93 N 1.52 1.11 0.23 1.82 -1.16 -0.44 -4.97 121.20 119.31 1uit s ILE 93 Ca 0.01 -1.13 0.07 0.00 -0.51 0.00 0.00 60.65 59.09 1uit s ILE 93 Cb -0.13 -1.04 -0.04 0.00 0.61 0.00 0.00 42.46 41.86 1uit s ILE 93 CO -0.05 -0.09 0.10 -0.89 -2.81 0.00 0.00 174.94 171.20 1uit s THR 94 N -1.03 4.09 0.02 4.00 2.01 -1.26 0.50 115.64 123.97 1uit s THR 94 Ca 0.00 -1.47 0.00 0.00 0.31 0.00 0.00 61.69 60.53 1uit s THR 94 Cb -0.09 -3.16 -0.01 0.00 0.01 0.00 0.00 72.50 69.25 1uit s THR 94 CO 0.02 -0.27 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.02 1uit s ILE 95 N -2.04 0.12 -0.25 1.82 1.01 0.03 0.10 121.20 121.99 1uit s ILE 95 Ca 0.31 -0.67 -0.02 0.00 0.00 0.00 0.00 60.65 60.27 1uit s ILE 95 Cb -0.08 -0.22 0.02 0.00 0.01 0.00 0.00 42.46 42.19 1uit s ILE 95 CO 0.22 -0.35 -0.05 -0.22 0.00 0.00 0.00 174.94 174.55 1uit s LEU 96 N -1.06 3.24 0.50 2.97 1.98 0.83 -0.80 118.68 126.35 1uit s LEU 96 Ca -0.11 -0.86 0.04 0.00 -2.89 0.00 0.00 54.13 50.31 1uit s LEU 96 Cb -0.07 -1.68 -0.00 0.00 0.66 0.00 0.00 46.19 45.10 1uit s LEU 96 CO -0.01 -0.13 0.18 0.00 -1.89 0.00 0.00 176.35 174.50 1uit s ALA 97 N 1.34 4.11 -0.36 5.97 0.00 -0.60 -0.30 121.76 131.93 1uit s ALA 97 Ca 0.00 -1.07 -0.02 0.00 0.00 0.00 0.00 51.96 50.87 1uit s ALA 97 Cb -0.17 -0.32 0.18 0.00 0.00 0.00 0.00 23.12 22.82 1uit s ALA 97 CO -0.04 -0.21 0.88 -1.14 0.00 0.00 0.00 175.76 175.25 1uit s GLN 98 N -4.03 0.44 0.10 0.00 0.74 -1.20 -1.38 119.66 114.33 1uit s GLN 98 Ca 0.23 -0.13 -0.32 0.00 0.05 0.00 0.00 55.36 55.19 1uit s GLN 98 Cb 0.01 0.06 -0.17 0.00 1.10 0.00 0.00 33.01 34.00 1uit s GLN 98 CO 0.14 -0.64 0.73 0.98 -0.55 0.00 0.00 175.29 175.95 1uit n TYR 99 N 4.02 0.03 -3.90 1.67 9.36 -1.26 -4.36 117.16 122.72 1uit n TYR 99 Ca 0.08 0.96 -0.30 0.00 3.32 0.00 0.00 57.90 61.96 1uit n TYR 99 Cb 0.61 -1.92 -0.15 0.00 -0.63 0.00 0.00 39.34 37.25 1uit n TYR 99 CO 0.00 0.00 0.00 -0.80 0.22 0.00 0.00 176.86 176.28 1uit s ASN 100 N -0.51 3.99 -0.58 2.98 -0.87 -1.26 -4.36 114.94 114.32 1uit s ASN 100 Ca 0.72 -1.42 -0.06 0.00 -1.57 0.00 0.00 52.86 50.54 1uit s ASN 100 Cb -1.03 -1.16 -0.14 0.00 -0.02 0.00 0.00 41.25 38.90 1uit s ASN 100 CO 0.54 -0.30 2.67 -0.81 -2.57 0.00 0.00 177.10 176.63 1uit n PRO 101 N 4.66 2.11 -2.67 -0.60 -0.04 -1.26 -3.60 135.00 133.60 1uit n PRO 101 Ca -0.07 -1.24 -0.06 0.00 -0.04 0.00 0.00 63.50 62.09 1uit n PRO 101 Cb 0.43 -2.22 0.11 0.00 -0.04 0.00 0.00 33.50 31.78 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 3.25 -2.18 -2.82 0.54 -0.00 -1.26 -5.01 115.22 107.74 1uit n HIS 102 Ca 0.45 -1.74 -0.11 0.00 0.46 0.00 0.00 57.72 56.78 1uit n HIS 102 Cb 0.44 1.55 0.04 0.00 -0.12 0.00 0.00 29.99 31.90 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 -0.72 -0.09 -2.90 3.57 3.14 -1.24 -5.02 118.33 115.06 1uit n VAL 103 Ca -0.08 -1.96 -0.37 0.00 -2.96 0.00 0.00 64.34 58.98 1uit n VAL 103 Cb 0.83 1.00 -0.01 0.00 -1.06 0.00 0.00 33.84 34.60 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 1.23 2.99 -3.08 1.45 1.44 -1.26 -4.93 115.22 113.05 1uit n HIS 104 Ca 0.10 -3.06 -0.18 0.00 -2.01 0.00 0.00 57.72 52.58 1uit n HIS 104 Cb 0.64 -0.99 0.01 0.00 0.12 0.00 0.00 29.99 29.77 1uit n HIS 104 CO 0.00 0.00 0.00 -0.65 -2.81 0.00 0.00 176.34 172.88 1uit s GLN 105 N -3.50 2.75 0.45 -1.40 1.11 -1.26 -4.95 119.66 112.85 1uit s GLN 105 Ca 0.39 -1.31 0.00 0.00 0.01 0.00 0.00 55.36 54.45 1uit s GLN 105 Cb 0.16 -2.70 0.00 0.00 -1.01 0.00 0.00 33.01 29.46 1uit s GLN 105 CO -0.05 -0.31 0.00 1.28 0.01 0.00 0.00 175.29 176.22 1uit n LEU 106 N -1.85 -0.76 -4.57 2.90 4.32 -1.26 -4.37 117.00 111.41 1uit n LEU 106 Ca 0.08 1.75 -0.24 0.00 -0.02 0.00 0.00 56.01 57.59 1uit n LEU 106 Cb 0.60 -2.17 -0.07 0.00 -1.62 0.00 0.00 43.42 40.16 1uit n LEU 106 CO 0.39 -1.49 1.35 -0.55 -1.22 0.00 0.00 177.39 175.87 1uit s SER 107 N -6.28 4.68 0.24 -1.43 0.15 -1.26 -4.90 113.70 104.90 1uit s SER 107 Ca 0.00 -0.96 0.09 0.00 0.70 0.00 0.00 55.95 55.77 1uit s SER 107 Cb 0.00 -2.57 -0.04 0.00 -1.71 0.00 0.00 66.02 61.69 1uit s SER 107 CO 0.00 -3.31 0.00 -0.55 1.20 0.00 0.00 173.24 170.58 1uit s SER 108 N 7.96 4.63 -0.01 5.45 0.15 -1.26 -4.94 113.70 125.68 1uit s SER 108 Ca 0.74 -0.56 -0.01 0.00 0.70 0.00 0.00 55.95 56.82 1uit s SER 108 Cb -0.05 -0.91 0.01 0.00 -1.71 0.00 0.00 66.02 63.36 1uit s SER 108 CO 0.08 0.03 0.03 1.57 1.20 0.00 0.00 173.24 176.15 1uit n HIS 109 N -0.66 -3.63 -4.19 3.44 -0.00 -1.26 -5.06 115.22 103.85 1uit n HIS 109 Ca -0.08 2.15 -0.18 0.00 0.46 0.00 0.00 57.72 60.08 1uit n HIS 109 Cb 0.58 -3.39 -0.12 0.00 -0.12 0.00 0.00 29.99 26.94 1uit n HIS 109 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 1uit s SER 110 N -0.46 1.74 -0.40 0.26 0.15 -1.26 -5.12 113.70 108.61 1uit s SER 110 Ca -0.03 -0.70 -0.12 0.00 0.70 0.00 0.00 55.95 55.80 1uit s SER 110 Cb 0.00 -0.05 0.04 0.00 -1.71 0.00 0.00 66.02 64.31 1uit s SER 110 CO 0.09 -0.12 0.25 -0.13 1.20 0.00 0.00 173.24 174.53 1uit s ARG 111 N -2.14 2.81 -0.41 5.44 1.81 -1.26 -5.05 118.95 120.16 1uit s ARG 111 Ca 0.02 -1.18 -0.15 0.00 -1.72 0.00 0.00 55.73 52.70 1uit s ARG 111 Cb -0.08 -3.82 0.02 0.00 -0.45 0.00 0.00 34.95 30.62 1uit s ARG 111 CO 0.02 -0.80 0.29 -1.12 -0.68 0.00 0.00 175.30 173.01 1uit s SER 112 N 1.80 6.07 0.15 0.23 0.01 -1.26 -5.06 113.70 115.64 1uit s SER 112 Ca 0.03 -0.91 0.05 0.00 1.31 0.00 0.00 55.95 56.42 1uit s SER 112 Cb -0.21 -2.14 -0.04 0.00 0.21 0.00 0.00 66.02 63.84 1uit s SER 112 CO 0.06 -0.44 -0.10 -0.83 0.41 0.00 0.00 173.24 172.33 1uit s GLY 113 N 1.67 1.09 0.56 3.44 0.00 -1.26 -5.15 107.32 107.67 1uit s GLY 113 Ca 0.05 -1.50 -0.17 0.00 0.00 0.00 0.00 44.72 43.09 1uit s GLY 113 CO 0.10 -1.60 1.04 2.56 0.00 0.00 0.00 173.10 175.20 1uit s PRO 114 N -3.74 3.51 0.16 2.90 0.04 -1.26 -4.72 135.00 131.88 1uit s PRO 114 Ca 0.17 1.22 0.00 0.00 0.04 0.00 0.00 61.00 62.43 1uit s PRO 114 Cb 0.02 -2.06 0.00 0.00 0.04 0.00 0.00 34.50 32.50 1uit s PRO 114 CO 0.01 -0.66 0.00 0.43 0.04 0.00 0.00 177.00 176.82 1uit n SER 115 N -1.72 -9.39 -4.46 6.66 7.64 -1.26 -4.79 113.62 106.30 1uit n SER 115 Ca 0.09 1.57 -0.44 0.00 1.01 0.00 0.00 58.87 61.10 1uit n SER 115 Cb 0.53 -5.26 -0.02 0.00 -1.01 0.00 0.00 64.21 58.44 1uit n SER 115 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1uit s SER 116 N -0.56 6.69 0.00 6.43 0.15 -1.26 -5.23 113.70 119.92 1uit s SER 116 Ca 0.00 -2.14 0.00 0.00 0.70 0.00 0.00 55.95 54.51 1uit s SER 116 Cb 0.00 -2.42 0.00 0.00 -1.71 0.00 0.00 66.02 61.89 1uit s SER 116 CO 0.00 -1.05 0.00 0.61 1.20 0.00 0.00 173.24 174.00