#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 5.62 -0.09 1.61 0.15 -1.26 -4.99 113.70 114.74 1uit s SER 2 Ca 0.00 2.11 -0.06 0.00 0.70 0.00 0.00 55.95 58.70 1uit s SER 2 Cb 0.00 -2.57 -0.05 0.00 -1.71 0.00 0.00 66.02 61.69 1uit s SER 2 CO 0.00 -1.28 0.22 0.28 1.20 0.00 0.00 173.24 173.66 1uit h SER 3 N 0.93 -0.09 -0.94 5.45 0.02 -2.07 -3.51 113.55 113.34 1uit h SER 3 Ca -0.49 -0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.35 1uit h SER 3 Cb 1.25 0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.82 1uit h SER 3 CO 0.56 0.45 0.00 0.61 -1.14 0.00 0.00 176.83 177.31 1uit n GLY 4 N 1.46 2.57 3.23 -3.77 0.00 -1.26 -5.13 105.19 102.29 1uit n GLY 4 Ca -0.02 -1.59 0.04 0.00 0.00 0.00 0.00 46.02 44.44 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 -0.53 0.14 1.61 0.01 -1.26 -5.17 113.70 108.50 1uit s SER 5 Ca 0.00 0.46 0.06 0.00 1.31 0.00 0.00 55.95 57.79 1uit s SER 5 Cb 0.00 1.49 -0.04 0.00 0.21 0.00 0.00 66.02 67.69 1uit s SER 5 CO 0.00 -0.10 -0.15 -0.44 0.41 0.00 0.00 173.24 172.96 1uit s SER 6 N 2.73 2.17 0.00 2.44 0.01 -1.26 -4.91 113.70 114.88 1uit s SER 6 Ca 0.00 -0.85 0.00 0.00 1.31 0.00 0.00 55.95 56.41 1uit s SER 6 Cb -0.09 -0.09 0.00 0.00 0.21 0.00 0.00 66.02 66.06 1uit s SER 6 CO -0.14 -0.14 0.00 0.61 0.41 0.00 0.00 173.24 173.98 1uit n GLY 7 N 0.36 2.33 3.22 3.44 0.00 -1.26 -5.08 105.19 108.19 1uit n GLY 7 Ca -0.14 -0.75 -0.37 0.00 0.00 0.00 0.00 46.02 44.75 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 0.00 -3.30 3.28 -0.02 0.00 -1.26 -4.95 105.19 98.94 1uit n GLY 8 Ca 0.00 -0.42 -0.34 0.00 0.00 0.00 0.00 46.02 45.26 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 -1.70 3.27 -0.17 1.61 2.56 -1.26 -4.86 118.70 118.16 1uit s GLU 9 Ca 0.54 -0.70 -0.03 0.00 0.00 0.00 0.00 54.97 54.77 1uit s GLU 9 Cb -0.37 -2.77 0.01 0.00 2.00 0.00 0.00 34.13 33.00 1uit s GLU 9 CO 0.70 -0.08 0.07 -2.13 -0.56 0.00 0.00 175.26 173.26 1uit n ARG 10 N 4.36 -2.62 -3.71 4.30 0.00 -1.26 -5.08 116.66 112.65 1uit n ARG 10 Ca -0.19 2.20 -0.12 0.00 -0.00 0.00 0.00 57.85 59.74 1uit n ARG 10 Cb 0.51 -3.82 -0.10 0.00 0.00 0.00 0.00 32.46 29.06 1uit n ARG 10 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 1uit s ARG 11 N -0.96 0.50 0.12 -0.14 3.00 -1.26 -5.16 118.95 115.04 1uit s ARG 11 Ca -0.08 0.70 0.09 0.00 0.00 0.00 0.00 55.73 56.45 1uit s ARG 11 Cb 0.01 0.17 -0.04 0.00 0.00 0.00 0.00 34.95 35.09 1uit s ARG 11 CO 0.52 -0.09 -0.20 0.21 0.00 0.00 0.00 175.30 175.74 1uit s LYS 12 N 0.63 1.72 0.00 3.54 2.47 -1.26 -4.88 119.74 121.96 1uit s LYS 12 Ca -0.03 -1.21 0.00 0.00 -1.56 0.00 0.00 55.97 53.17 1uit s LYS 12 Cb -0.05 -2.07 0.00 0.00 -1.46 0.00 0.00 37.83 34.25 1uit s LYS 12 CO -0.04 0.48 0.00 -3.47 0.16 0.00 0.00 175.35 172.48 1uit n ASP 13 N 0.86 0.00 -1.86 1.43 2.03 -1.26 -5.08 116.55 112.67 1uit n ASP 13 Ca -0.16 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.15 1uit n ASP 13 Cb 0.53 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.93 1uit n ASP 13 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 1uit n ARG 14 N -0.23 -4.02 0.13 -0.67 0.63 -1.26 -3.99 116.66 107.25 1uit n ARG 14 Ca 0.00 3.01 -0.00 0.00 -0.92 0.00 0.00 57.85 59.94 1uit n ARG 14 Cb 0.00 -3.46 0.13 0.00 0.45 0.00 0.00 32.46 29.58 1uit n ARG 14 CO 0.00 0.00 0.00 -1.00 -2.51 0.00 0.00 177.63 174.12 1uit h PRO 15 N 3.20 0.00 -0.85 -0.14 0.13 -2.02 -3.30 132.00 129.02 1uit h PRO 15 Ca 0.00 0.00 0.15 0.00 -0.87 0.00 0.00 66.00 65.28 1uit h PRO 15 Cb 0.00 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 30.98 1uit h PRO 15 CO 0.00 0.63 -0.29 0.98 -0.23 0.00 0.00 178.00 179.09 1uit n TYR 16 N -3.55 0.13 -3.60 1.56 9.36 -1.26 -4.65 117.16 115.14 1uit n TYR 16 Ca -0.00 1.04 -0.09 0.00 3.32 0.00 0.00 57.90 62.17 1uit n TYR 16 Cb 0.68 -0.88 -0.06 0.00 -0.63 0.00 0.00 39.34 38.45 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 -5.90 0.00 -0.51 2.97 0.11 -1.24 -4.99 120.40 110.83 1uit s VAL 17 Ca -0.12 0.00 -0.36 0.00 -2.93 0.00 0.00 61.98 58.57 1uit s VAL 17 Cb 0.19 -1.00 -0.15 0.00 -1.53 0.00 0.00 36.38 33.90 1uit s VAL 17 CO 0.63 0.00 2.28 -0.62 -3.33 0.00 0.00 175.10 174.06 1uit n GLU 18 N 1.17 0.62 -1.01 1.54 1.02 -1.26 -4.81 120.64 117.90 1uit n GLU 18 Ca -0.10 0.14 -0.34 0.00 -0.02 0.00 0.00 57.16 56.84 1uit n GLU 18 Cb 0.57 -2.15 0.03 0.00 -0.02 0.00 0.00 31.44 29.87 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 8.15 0.00 -2.38 3.49 1.02 -1.26 -4.34 120.64 125.32 1uit n GLU 19 Ca 0.48 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 57.20 1uit n GLU 19 Cb 0.16 -0.93 -0.02 0.00 -0.02 0.00 0.00 31.44 30.63 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 -1.52 3.88 0.55 3.49 0.04 -1.26 -4.76 135.00 135.43 1uit s PRO 20 Ca 0.43 1.28 0.03 0.00 0.04 0.00 0.00 61.00 62.77 1uit s PRO 20 Cb -0.27 -3.91 0.04 0.00 0.04 0.00 0.00 34.50 30.40 1uit s PRO 20 CO 0.71 -1.17 0.77 -0.98 0.04 0.00 0.00 177.00 176.38 1uit s ARG 21 N 4.27 2.46 -0.59 4.56 1.70 -0.67 -4.93 118.95 125.75 1uit s ARG 21 Ca 0.58 -0.94 0.02 0.00 -0.47 0.00 0.00 55.73 54.92 1uit s ARG 21 Cb -0.17 -2.52 0.15 0.00 -0.57 0.00 0.00 34.95 31.83 1uit s ARG 21 CO 0.24 -0.75 0.37 -1.01 -1.08 0.00 0.00 175.30 173.07 1uit s HIS 22 N -2.74 3.33 -0.10 5.89 3.76 -1.26 -2.20 115.29 121.97 1uit s HIS 22 Ca 0.58 -3.06 -0.30 0.00 -0.15 0.00 0.00 55.06 52.14 1uit s HIS 22 Cb -0.09 -2.94 -0.03 0.00 1.11 0.00 0.00 32.58 30.62 1uit s HIS 22 CO 0.38 -0.75 1.35 0.08 -0.85 0.00 0.00 174.74 174.95 1uit s VAL 23 N -0.43 4.06 0.48 -0.90 1.01 0.45 -4.73 120.40 120.34 1uit s VAL 23 Ca 0.18 1.32 -0.05 0.00 0.00 0.00 0.00 61.98 63.44 1uit s VAL 23 Cb -0.21 -3.85 -0.03 0.00 0.00 0.00 0.00 36.38 32.28 1uit s VAL 23 CO -0.03 -0.08 0.79 -0.54 0.00 0.00 0.00 175.10 175.23 1uit s LYS 24 N 3.22 3.50 0.01 2.72 -0.14 -1.26 0.19 119.74 127.98 1uit s LYS 24 Ca 0.60 0.17 -0.01 0.00 -1.36 0.00 0.00 55.97 55.37 1uit s LYS 24 Cb -0.26 -2.38 -0.01 0.00 -1.68 0.00 0.00 37.83 33.51 1uit s LYS 24 CO 0.20 -0.23 0.01 0.08 -0.76 0.00 0.00 175.35 174.66 1uit s VAL 25 N -2.75 0.07 -0.47 3.17 1.01 0.18 -4.58 120.40 117.03 1uit s VAL 25 Ca 0.48 -0.55 0.07 0.00 0.00 0.00 0.00 61.98 61.98 1uit s VAL 25 Cb -0.10 -0.20 0.39 0.00 0.00 0.00 0.00 36.38 36.46 1uit s VAL 25 CO 0.45 -0.30 1.00 0.00 0.00 0.00 0.00 175.10 176.24 1uit n GLN 26 N 2.12 2.87 -0.14 2.72 10.64 -1.26 -1.67 117.38 132.66 1uit n GLN 26 Ca -0.19 -4.39 -0.04 0.00 -1.83 0.00 0.00 57.00 50.55 1uit n GLN 26 Cb 0.57 -2.08 -0.03 0.00 -0.86 0.00 0.00 30.24 27.83 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 -0.27 -0.15 0.00 2.61 5.02 0.36 -4.71 118.16 121.02 1uit n LYS 27 Ca 0.31 1.11 0.00 0.00 -2.02 0.00 0.00 58.31 57.71 1uit n LYS 27 Cb 0.58 -1.65 0.00 0.00 -0.02 0.00 0.00 35.03 33.94 1uit n LYS 27 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1uit n GLY 28 N -1.09 1.47 1.80 0.72 0.00 0.31 -3.10 105.19 105.30 1uit n GLY 28 Ca 0.01 -0.03 -0.03 0.00 0.00 0.00 0.00 46.02 45.97 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 3.83 -0.94 -3.78 1.61 7.64 -1.26 -4.65 113.62 116.06 1uit n SER 29 Ca 0.00 -1.73 -0.13 0.00 1.01 0.00 0.00 58.87 58.02 1uit n SER 29 Cb 0.00 0.40 -0.09 0.00 -1.01 0.00 0.00 64.21 63.51 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 0.06 0.64 0.66 1.43 8.01 -1.18 -5.16 118.70 123.15 1uit s GLU 30 Ca 0.04 -0.24 -0.12 0.00 0.01 0.00 0.00 54.97 54.65 1uit s GLU 30 Cb 0.21 0.28 -0.01 0.00 -4.31 0.00 0.00 34.13 30.30 1uit s GLU 30 CO -0.06 -0.17 1.06 -1.25 0.01 0.00 0.00 175.26 174.84 1uit s PRO 31 N -1.38 3.08 0.06 0.39 0.04 -1.26 -4.66 135.00 131.27 1uit s PRO 31 Ca -0.14 1.02 -0.28 0.00 0.04 0.00 0.00 61.00 61.65 1uit s PRO 31 Cb -0.06 -2.01 -0.14 0.00 0.04 0.00 0.00 34.50 32.34 1uit s PRO 31 CO 0.04 -0.99 1.43 1.25 0.04 0.00 0.00 177.00 178.76 1uit h LEU 32 N -0.34 -1.03 -1.77 -3.56 5.85 -1.96 -3.36 115.31 109.14 1uit h LEU 32 Ca -0.45 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.35 1uit h LEU 32 Cb 1.21 0.33 0.00 0.00 0.37 0.00 0.00 40.66 42.57 1uit h LEU 32 CO 0.57 -0.54 0.00 0.61 -0.34 0.00 0.00 178.44 178.75 1uit n GLY 33 N -1.45 0.78 2.96 3.75 0.00 -1.26 -1.54 105.19 108.42 1uit n GLY 33 Ca -0.10 -0.42 -0.13 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.55 -0.03 0.38 -0.61 -5.25 -1.26 0.82 121.20 112.69 1uit s ILE 34 Ca 0.00 0.13 -0.20 0.00 -0.99 0.00 0.00 60.65 59.58 1uit s ILE 34 Cb 0.00 -0.24 -0.10 0.00 2.95 0.00 0.00 42.46 45.07 1uit s ILE 34 CO 0.00 0.05 0.89 -0.55 -1.79 0.00 0.00 174.94 173.54 1uit s SER 35 N 0.86 6.97 0.04 4.36 0.15 0.46 -4.92 113.70 121.62 1uit s SER 35 Ca -0.06 1.61 0.01 0.00 0.70 0.00 0.00 55.95 58.20 1uit s SER 35 Cb -0.08 -2.50 -0.02 0.00 -1.71 0.00 0.00 66.02 61.70 1uit s SER 35 CO -0.04 -0.26 -0.06 0.27 1.20 0.00 0.00 173.24 174.35 1uit s ILE 36 N -2.02 0.37 0.01 6.45 -5.25 -1.26 0.55 121.20 120.05 1uit s ILE 36 Ca 0.58 -1.11 -0.02 0.00 -0.99 0.00 0.00 60.65 59.11 1uit s ILE 36 Cb -0.11 -0.59 -0.01 0.00 2.95 0.00 0.00 42.46 44.70 1uit s ILE 36 CO 0.16 -0.49 0.01 0.68 -1.79 0.00 0.00 174.94 173.51 1uit s VAL 37 N -1.68 0.10 -0.00 8.37 -7.23 0.66 -4.74 120.40 115.87 1uit s VAL 37 Ca -0.10 -0.82 -0.02 0.00 -1.81 0.00 0.00 61.98 59.23 1uit s VAL 37 Cb -0.08 -0.29 -0.04 0.00 0.56 0.00 0.00 36.38 36.53 1uit s VAL 37 CO -0.01 -0.45 0.14 -0.55 -0.31 0.00 0.00 175.10 173.92 1uit s SER 38 N -1.38 6.06 0.20 4.85 0.15 -1.26 -0.90 113.70 121.42 1uit s SER 38 Ca -0.15 0.25 -0.02 0.00 0.70 0.00 0.00 55.95 56.73 1uit s SER 38 Cb -0.09 -1.83 -0.05 0.00 -1.71 0.00 0.00 66.02 62.34 1uit s SER 38 CO -0.00 0.26 0.41 -0.83 1.20 0.00 0.00 173.24 174.28 1uit s GLY 39 N -1.88 1.87 -0.95 9.45 0.00 -1.09 -4.96 107.32 109.75 1uit s GLY 39 Ca 0.26 -0.76 -0.06 0.00 0.00 0.00 0.00 44.72 44.16 1uit s GLY 39 CO 0.17 -0.70 2.22 -2.21 0.00 0.00 0.00 173.10 172.58 1uit n GLU 40 N -0.59 2.23 0.00 2.90 0.00 -1.26 -2.29 120.64 121.63 1uit n GLU 40 Ca -0.04 -1.50 0.00 0.00 0.00 0.00 0.00 57.16 55.62 1uit n GLU 40 Cb 0.53 -2.46 0.00 0.00 0.00 0.00 0.00 31.44 29.52 1uit n GLU 40 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 1uit n LYS 41 N 4.06 0.00 0.00 5.31 4.81 -1.26 -5.15 118.16 125.93 1uit n LYS 41 Ca 0.47 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.91 1uit n LYS 41 Cb 0.16 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.21 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 -0.66 4.56 0.00 3.14 0.00 -0.97 -5.16 105.19 106.10 1uit n GLY 42 Ca 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.08 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 -1.76 3.01 3.41 -0.02 0.00 -1.25 -4.62 105.19 103.96 1uit n GLY 43 Ca 0.00 -1.77 -0.32 0.00 0.00 0.00 0.00 46.02 43.93 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 -2.10 2.69 0.02 -0.61 -1.09 -1.26 -2.68 121.20 116.17 1uit s ILE 44 Ca 0.00 -0.86 0.04 0.00 -2.23 0.00 0.00 60.65 57.59 1uit s ILE 44 Cb 0.00 -2.02 -0.02 0.00 -1.58 0.00 0.00 42.46 38.85 1uit s ILE 44 CO 0.00 0.59 -0.11 -0.31 -1.23 0.00 0.00 174.94 173.88 1uit s TYR 45 N -0.67 0.96 0.09 3.97 1.51 -0.08 -2.06 117.35 121.07 1uit s TYR 45 Ca 0.11 -0.29 -0.31 0.00 -1.01 0.00 0.00 57.07 55.57 1uit s TYR 45 Cb -0.10 -0.58 -0.08 0.00 -0.11 0.00 0.00 41.96 41.08 1uit s TYR 45 CO 0.00 -0.00 1.54 0.08 -1.11 0.00 0.00 175.55 176.06 1uit s VAL 46 N -0.67 3.08 -0.12 0.71 1.01 -1.22 -0.24 120.40 122.95 1uit s VAL 46 Ca 0.00 0.65 0.19 0.00 0.00 0.00 0.00 61.98 62.83 1uit s VAL 46 Cb -0.06 -3.42 -0.23 0.00 0.00 0.00 0.00 36.38 32.66 1uit s VAL 46 CO 0.00 0.02 0.48 -0.24 0.00 0.00 0.00 175.10 175.37 1uit n SER 47 N 4.84 0.29 0.00 3.32 2.88 0.19 -2.68 113.62 122.45 1uit n SER 47 Ca 0.14 0.13 0.00 0.00 -1.33 0.00 0.00 58.87 57.81 1uit n SER 47 Cb 0.41 1.08 0.00 0.00 -0.75 0.00 0.00 64.21 64.95 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 -2.61 -1.60 -0.93 -1.46 4.81 -1.22 -4.90 118.16 110.25 1uit n LYS 48 Ca -0.14 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.30 1uit n LYS 48 Cb 0.83 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.88 1uit n LYS 48 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 1uit n VAL 49 N -0.16 0.00 0.05 3.15 0.31 -1.26 0.18 118.33 120.59 1uit n VAL 49 Ca 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 64.34 64.34 1uit n VAL 49 Cb 0.00 -0.23 -0.00 0.00 -0.91 0.00 0.00 33.84 32.70 1uit n VAL 49 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1uit n THR 50 N -0.12 0.00 -1.62 2.52 -1.04 0.24 -4.63 114.28 109.63 1uit n THR 50 Ca 0.00 -0.48 0.00 0.00 -2.04 0.00 0.00 64.05 61.53 1uit n THR 50 Cb 0.00 1.01 0.00 0.00 -1.82 0.00 0.00 70.33 69.52 1uit n THR 50 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 1uit n VAL 51 N -0.79 -5.35 -2.86 12.58 0.31 -1.26 -4.52 118.33 116.44 1uit n VAL 51 Ca 0.00 2.42 -0.12 0.00 -0.01 0.00 0.00 64.34 66.63 1uit n VAL 51 Cb 0.02 -3.30 -0.01 0.00 -0.91 0.00 0.00 33.84 29.64 1uit n VAL 51 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1uit n GLY 52 N -0.56 -0.49 3.60 2.92 0.00 -1.26 -4.90 105.19 104.50 1uit n GLY 52 Ca 0.00 0.02 -0.26 0.00 0.00 0.00 0.00 46.02 45.78 1uit n GLY 52 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1uit s SER 53 N -2.27 3.94 0.16 1.61 0.15 -1.26 -4.98 113.70 111.04 1uit s SER 53 Ca 0.16 -1.17 -0.24 0.00 0.70 0.00 0.00 55.95 55.40 1uit s SER 53 Cb -0.09 -0.42 0.02 0.00 -1.71 0.00 0.00 66.02 63.82 1uit s SER 53 CO 0.20 -0.30 1.37 -0.38 1.20 0.00 0.00 173.24 175.33 1uit n ILE 54 N -0.91 -0.56 -0.10 6.45 2.08 -1.22 -0.25 119.36 124.85 1uit n ILE 54 Ca -0.04 2.13 -0.07 0.00 0.56 0.00 0.00 62.75 65.32 1uit n ILE 54 Cb 0.64 -2.68 -0.05 0.00 -0.75 0.00 0.00 39.64 36.80 1uit n ILE 54 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1uit h ALA 55 N 0.67 -0.52 -0.97 -1.39 0.00 -1.54 0.34 119.26 115.85 1uit h ALA 55 Ca 0.19 0.01 0.26 0.00 0.00 0.00 0.00 54.91 55.37 1uit h ALA 55 Cb 0.41 0.97 -0.18 0.00 0.00 0.00 0.00 17.79 18.99 1uit h ALA 55 CO -0.85 -0.68 0.01 1.58 0.00 0.00 0.00 179.25 179.31 1uit n HIS 56 N -4.16 0.61 -0.11 0.00 -0.00 0.66 0.19 115.22 112.40 1uit n HIS 56 Ca -0.02 1.17 -0.09 0.00 -0.00 0.00 0.00 57.72 58.78 1uit n HIS 56 Cb 0.18 -1.22 -0.01 0.00 -0.00 0.00 0.00 29.99 28.94 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 0.48 0.00 1.57 4.20 0.12 -0.27 115.11 121.21 1uit h GLN 57 Ca 0.58 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 59.24 1uit h GLN 57 Cb 1.19 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.87 1uit h GLN 57 CO -0.91 0.38 0.00 0.00 -0.67 0.00 0.00 178.83 177.63 1uit h ALA 58 N 1.07 1.00 -2.25 3.87 0.00 0.55 -3.45 119.26 120.05 1uit h ALA 58 Ca 0.12 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 1uit h ALA 58 Cb 0.03 0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.84 1uit h ALA 58 CO -0.02 0.00 -0.06 0.41 0.00 0.00 0.00 179.25 179.58 1uit n GLY 59 N -1.05 0.40 3.88 0.00 0.00 0.37 -4.75 105.19 104.04 1uit n GLY 59 Ca -0.02 -0.44 -0.34 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.31 4.31 0.26 0.99 1.43 -1.16 -5.03 118.68 117.17 1uit s LEU 60 Ca 0.00 0.36 0.01 0.00 -1.03 0.00 0.00 54.13 53.47 1uit s LEU 60 Cb -0.00 -2.40 -0.04 0.00 0.03 0.00 0.00 46.19 43.77 1uit s LEU 60 CO 0.06 0.31 0.13 -1.83 0.23 0.00 0.00 176.35 175.24 1uit s GLU 61 N -1.63 1.41 0.65 1.70 -1.05 -1.26 -4.67 118.70 113.86 1uit s GLU 61 Ca 0.23 -1.77 -0.16 0.00 -0.15 0.00 0.00 54.97 53.12 1uit s GLU 61 Cb -0.12 -0.07 -0.01 0.00 -0.44 0.00 0.00 34.13 33.49 1uit s GLU 61 CO 0.14 -0.37 1.12 -0.47 0.95 0.00 0.00 175.26 176.63 1uit s TYR 62 N -3.81 2.58 0.00 4.83 6.14 -1.26 -3.18 117.35 122.65 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 0.07 -3.21 0.00 0.00 0.42 0.00 0.00 41.96 39.24 1uit s TYR 62 CO 0.15 -1.75 0.00 0.41 0.64 0.00 0.00 175.55 175.00 1uit n GLY 63 N -0.35 2.58 3.53 8.97 0.00 -1.09 -4.93 105.19 113.89 1uit n GLY 63 Ca 0.11 -0.07 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 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 0.74 1.77 -4.65 1.61 9.92 -1.19 -4.50 116.55 120.25 1uit n ASP 64 Ca 0.00 -0.18 -0.43 0.00 -0.53 0.00 0.00 54.79 53.65 1uit n ASP 64 Cb 0.00 -1.36 -0.02 0.00 -0.64 0.00 0.00 41.12 39.09 1uit n ASP 64 CO 0.00 0.00 0.00 -1.58 0.13 0.00 0.00 177.20 175.75 1uit s GLN 65 N 8.16 4.07 -0.47 -1.24 0.74 -1.26 -3.39 119.66 126.26 1uit s GLN 65 Ca 1.10 1.68 -0.28 0.00 0.05 0.00 0.00 55.36 57.91 1uit s GLN 65 Cb -0.56 -3.88 -0.00 0.00 1.10 0.00 0.00 33.01 29.66 1uit s GLN 65 CO 0.36 -0.93 1.59 -0.51 -0.55 0.00 0.00 175.29 175.24 1uit s LEU 66 N 4.12 3.45 -0.14 3.68 1.43 -0.87 -3.31 118.68 127.04 1uit s LEU 66 Ca 0.62 0.69 -0.26 0.00 -1.03 0.00 0.00 54.13 54.15 1uit s LEU 66 Cb -0.23 -3.20 -0.23 0.00 0.03 0.00 0.00 46.19 42.56 1uit s LEU 66 CO 0.22 -1.76 0.65 -0.07 0.23 0.00 0.00 176.35 175.62 1uit h LEU 67 N 13.62 0.00 -7.36 1.79 3.38 -1.55 -3.39 115.31 121.81 1uit h LEU 67 Ca -0.29 -0.86 -0.14 0.00 0.09 0.00 0.00 57.88 56.68 1uit h LEU 67 Cb 1.13 0.00 -0.25 0.00 0.09 0.00 0.00 40.66 41.62 1uit h LEU 67 CO 1.12 1.00 -0.33 -1.61 0.09 0.00 0.00 178.44 178.71 1uit s GLU 68 N -2.18 0.38 -0.40 1.13 2.02 -1.15 -0.76 118.70 117.74 1uit s GLU 68 Ca -0.18 0.52 -0.07 0.00 0.02 0.00 0.00 54.97 55.25 1uit s GLU 68 Cb -0.02 0.13 0.08 0.00 0.10 0.00 0.00 34.13 34.42 1uit s GLU 68 CO 0.62 -0.07 0.22 0.12 0.02 0.00 0.00 175.26 176.16 1uit s PHE 69 N 0.45 3.37 -1.55 1.61 2.19 -0.59 -0.00 117.98 123.46 1uit s PHE 69 Ca -0.02 -1.70 0.00 0.00 0.33 0.00 0.00 56.93 55.54 1uit s PHE 69 Cb -0.04 -2.89 0.00 0.00 -1.31 0.00 0.00 43.02 38.79 1uit s PHE 69 CO -0.02 -0.86 0.00 -1.71 1.83 0.00 0.00 175.22 174.46 1uit n ASN 70 N 4.83 -5.18 0.00 6.13 2.85 -0.03 -1.17 115.26 122.69 1uit n ASN 70 Ca -0.09 0.36 0.00 0.00 -0.11 0.00 0.00 54.58 54.74 1uit n ASN 70 Cb 0.43 -4.21 0.00 0.00 1.24 0.00 0.00 39.78 37.24 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 3.55 3.23 8.20 0.00 -1.26 -4.95 105.19 113.91 1uit n GLY 71 Ca -0.15 -0.98 -0.38 0.00 0.00 0.00 0.00 46.02 44.51 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 0.30 -3.55 -0.61 5.41 -0.31 -4.87 119.36 115.73 1uit n ILE 72 Ca 0.00 -0.49 -0.41 0.00 1.00 0.00 0.00 62.75 62.85 1uit n ILE 72 Cb 0.00 -0.11 -0.11 0.00 -0.71 0.00 0.00 39.64 38.71 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 -1.06 5.92 0.02 4.38 3.84 -1.26 -1.54 114.94 125.23 1uit s ASN 73 Ca 0.55 -0.65 -0.16 0.00 0.21 0.00 0.00 52.86 52.81 1uit s ASN 73 Cb -0.41 -2.10 -0.35 0.00 -0.55 0.00 0.00 41.25 37.84 1uit s ASN 73 CO 0.68 -0.30 0.96 -0.07 -2.79 0.00 0.00 177.10 175.58 1uit h LEU 74 N 8.49 0.80 -1.29 3.21 -0.00 -1.16 -3.28 115.31 122.08 1uit h LEU 74 Ca -0.29 -0.92 0.46 0.00 -0.00 0.00 0.00 57.88 57.12 1uit h LEU 74 Cb 1.14 -0.26 -0.15 0.00 -0.00 0.00 0.00 40.66 41.39 1uit h LEU 74 CO 0.66 1.70 0.81 0.54 -0.00 0.00 0.00 178.44 182.14 1uit n ARG 75 N -3.75 -0.04 -2.19 1.13 5.12 -1.22 0.19 116.66 115.90 1uit n ARG 75 Ca -0.17 1.27 -0.31 0.00 -1.93 0.00 0.00 57.85 56.71 1uit n ARG 75 Cb 1.08 -2.46 0.02 0.00 -1.16 0.00 0.00 32.46 29.94 1uit n ARG 75 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 1uit n SER 76 N -4.82 5.78 -3.35 0.55 7.64 -1.24 -3.95 113.62 114.24 1uit n SER 76 Ca 0.40 -3.76 -0.20 0.00 1.01 0.00 0.00 58.87 56.32 1uit n SER 76 Cb 1.50 -0.67 -0.05 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 n ALA 77 N -0.55 0.44 -2.39 -0.43 0.00 0.50 -4.99 120.51 113.09 1uit n ALA 77 Ca 0.46 -1.60 -0.22 0.00 0.00 0.00 0.00 53.44 52.08 1uit n ALA 77 Cb 0.56 1.07 -0.08 0.00 0.00 0.00 0.00 19.45 21.00 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 -2.71 0.27 0.23 0.00 -4.23 -1.26 -4.50 115.64 103.43 1uit s THR 78 Ca 0.15 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 58.63 1uit s THR 78 Cb 0.01 -2.42 0.03 0.00 1.34 0.00 0.00 72.50 71.46 1uit s THR 78 CO 0.11 0.00 1.63 1.05 -0.54 0.00 0.00 174.62 176.87 1uit h GLU 79 N 1.99 0.68 -0.41 3.99 4.11 -1.92 0.30 114.58 123.31 1uit h GLU 79 Ca -0.30 -0.29 -0.13 0.00 0.07 0.00 0.00 59.36 58.71 1uit h GLU 79 Cb 1.25 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.47 1uit h GLU 79 CO 0.46 0.88 -0.24 -0.56 0.07 0.00 0.00 179.01 179.62 1uit h GLN 80 N 0.58 0.89 0.17 1.06 3.07 -1.96 -2.09 115.11 116.83 1uit h GLN 80 Ca 0.07 -0.41 -0.01 0.00 0.09 0.00 0.00 58.65 58.40 1uit h GLN 80 Cb 0.77 -0.02 0.00 0.00 0.08 0.00 0.00 27.48 28.32 1uit h GLN 80 CO 0.06 1.05 -0.08 1.96 0.09 0.00 0.00 178.83 181.91 1uit h GLN 81 N 0.71 -0.22 -0.53 0.06 7.50 -1.92 -2.92 115.11 117.77 1uit h GLN 81 Ca 0.09 0.02 0.09 0.00 0.50 0.00 0.00 58.65 59.34 1uit h GLN 81 Cb 0.81 0.05 -0.10 0.00 0.05 0.00 0.00 27.48 28.29 1uit h GLN 81 CO 0.07 0.20 -0.39 0.00 -1.50 0.00 0.00 178.83 177.20 1uit h ALA 82 N -0.18 -0.25 -0.44 3.87 0.00 -0.46 1.74 119.26 123.54 1uit h ALA 82 Ca -0.02 0.12 0.13 0.00 0.00 0.00 0.00 54.91 55.13 1uit h ALA 82 Cb 0.52 0.87 -0.02 0.00 0.00 0.00 0.00 17.79 19.17 1uit h ALA 82 CO 0.04 -0.78 0.45 0.00 0.00 0.00 0.00 179.25 178.95 1uit h ARG 83 N -0.23 0.00 0.15 0.00 3.08 -1.44 0.58 114.38 116.52 1uit h ARG 83 Ca 0.19 0.00 -0.35 0.00 0.07 0.00 0.00 59.98 59.89 1uit h ARG 83 Cb 0.56 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.61 1uit h ARG 83 CO -0.65 0.00 -1.78 -0.07 -1.07 0.00 0.00 179.97 176.40 1uit h LEU 84 N 0.00 0.51 0.41 3.04 3.38 0.21 -2.99 115.31 119.87 1uit h LEU 84 Ca 0.21 -0.84 -0.02 0.00 0.09 0.00 0.00 57.88 57.32 1uit h LEU 84 Cb 1.10 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.68 1uit h LEU 84 CO -0.00 1.72 -0.20 0.40 0.09 0.00 0.00 178.44 180.45 1uit h ILE 85 N 0.09 0.00 -0.12 1.22 2.04 0.55 -1.92 117.51 119.37 1uit h ILE 85 Ca -0.35 -0.16 0.03 0.00 1.00 0.00 0.00 64.86 65.39 1uit h ILE 85 Cb 2.07 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 38.14 1uit h ILE 85 CO 0.15 0.00 0.30 0.16 0.00 0.00 0.00 178.15 178.76 1uit h ILE 86 N -0.71 0.15 -0.46 -0.67 3.07 -0.24 1.37 117.51 120.02 1uit h ILE 86 Ca -0.06 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.35 1uit h ILE 86 Cb 0.43 0.72 0.00 0.00 -0.27 0.00 0.00 36.82 37.70 1uit h ILE 86 CO 0.09 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 177.80 1uit n GLY 87 N -1.29 1.59 1.57 0.16 0.00 -1.04 -4.50 105.19 101.68 1uit n GLY 87 Ca 0.00 -0.55 -0.15 0.00 0.00 0.00 0.00 46.02 45.33 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 0.78 -3.17 -4.09 1.61 1.13 0.47 -4.96 117.38 109.14 1uit n GLN 88 Ca 0.17 -0.73 -0.32 0.00 -1.94 0.00 0.00 57.00 54.17 1uit n GLN 88 Cb 0.53 -0.90 -0.16 0.00 0.11 0.00 0.00 30.24 29.83 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 -4.04 2.71 -0.30 -1.09 1.11 -1.26 -5.02 119.66 111.76 1uit s GLN 89 Ca 0.33 -0.94 -0.17 0.00 0.01 0.00 0.00 55.36 54.58 1uit s GLN 89 Cb -0.05 -2.61 0.18 0.00 -1.01 0.00 0.00 33.01 29.52 1uit s GLN 89 CO 0.27 -0.31 1.16 0.00 0.01 0.00 0.00 175.29 176.42 1uit h ASP 91 N 7.35 -0.97 -3.49 0.00 5.19 -1.95 -3.36 116.42 119.20 1uit h ASP 91 Ca -0.14 0.22 -0.60 0.00 -0.62 0.00 0.00 57.03 55.89 1uit h ASP 91 Cb 1.13 0.52 -0.38 0.00 0.18 0.00 0.00 39.33 40.79 1uit h ASP 91 CO 0.03 -0.28 -0.80 -0.89 -3.12 0.00 0.00 179.24 174.19 1uit s THR 92 N -6.09 1.51 0.08 0.35 2.01 -1.26 0.14 115.64 112.38 1uit s THR 92 Ca -0.14 -1.03 0.09 0.00 0.31 0.00 0.00 61.69 60.92 1uit s THR 92 Cb 0.18 -1.67 -0.03 0.00 0.01 0.00 0.00 72.50 70.98 1uit s THR 92 CO 0.71 0.06 -0.24 -0.51 -0.69 0.00 0.00 174.62 173.95 1uit s ILE 93 N 1.44 1.95 0.30 1.82 -1.16 -0.67 -4.93 121.20 119.94 1uit s ILE 93 Ca -0.03 -1.49 0.06 0.00 -0.51 0.00 0.00 60.65 58.69 1uit s ILE 93 Cb -0.17 -1.71 -0.02 0.00 0.61 0.00 0.00 42.46 41.16 1uit s ILE 93 CO -0.07 0.13 0.36 -0.89 -2.81 0.00 0.00 174.94 171.66 1uit s THR 94 N -0.97 4.35 -0.01 4.00 2.01 -1.26 0.51 115.64 124.26 1uit s THR 94 Ca 0.10 -1.14 -0.01 0.00 0.31 0.00 0.00 61.69 60.95 1uit s THR 94 Cb -0.10 -3.48 -0.00 0.00 0.01 0.00 0.00 72.50 68.93 1uit s THR 94 CO 0.04 -0.24 0.03 -0.63 -0.69 0.00 0.00 174.62 173.12 1uit s ILE 95 N -2.14 0.03 -0.68 1.82 1.01 0.50 -0.85 121.20 120.88 1uit s ILE 95 Ca 0.39 -0.24 -0.03 0.00 0.00 0.00 0.00 60.65 60.77 1uit s ILE 95 Cb -0.08 -0.13 0.17 0.00 0.01 0.00 0.00 42.46 42.43 1uit s ILE 95 CO 0.29 -0.13 0.51 -0.22 0.00 0.00 0.00 174.94 175.38 1uit s LEU 96 N -0.40 5.31 0.62 2.97 2.96 1.00 0.17 118.68 131.32 1uit s LEU 96 Ca -0.04 -3.04 0.02 0.00 -0.22 0.00 0.00 54.13 50.84 1uit s LEU 96 Cb -0.03 -1.87 0.08 0.00 0.50 0.00 0.00 46.19 44.88 1uit s LEU 96 CO -0.00 -0.33 0.86 0.00 -1.32 0.00 0.00 176.35 175.56 1uit s ALA 97 N -0.34 3.97 -0.41 5.97 0.00 -0.93 -1.36 121.76 128.65 1uit s ALA 97 Ca 0.19 -1.64 -0.00 0.00 0.00 0.00 0.00 51.96 50.51 1uit s ALA 97 Cb -0.17 -1.93 0.20 0.00 0.00 0.00 0.00 23.12 21.21 1uit s ALA 97 CO -0.05 -1.05 0.89 -1.14 0.00 0.00 0.00 175.76 174.41 1uit s GLN 98 N -4.89 0.59 0.27 0.00 0.74 -1.21 -1.67 119.66 113.50 1uit s GLN 98 Ca 0.62 -0.47 -0.22 0.00 0.05 0.00 0.00 55.36 55.33 1uit s GLN 98 Cb -0.07 0.00 -0.15 0.00 1.10 0.00 0.00 33.01 33.89 1uit s GLN 98 CO 0.41 -0.76 0.28 0.98 -0.55 0.00 0.00 175.29 175.64 1uit n TYR 99 N 3.21 -1.18 -3.74 1.67 9.36 -1.26 -4.22 117.16 121.00 1uit n TYR 99 Ca 0.12 0.72 -0.28 0.00 3.32 0.00 0.00 57.90 61.79 1uit n TYR 99 Cb 0.60 -1.70 -0.16 0.00 -0.63 0.00 0.00 39.34 37.45 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 -0.91 2.94 -0.55 2.98 0.01 -1.26 -4.33 114.94 113.83 1uit s ASN 100 Ca 0.56 -0.84 -0.06 0.00 -0.71 0.00 0.00 52.86 51.81 1uit s ASN 100 Cb -0.71 -0.61 -0.14 0.00 0.41 0.00 0.00 41.25 40.20 1uit s ASN 100 CO 0.54 -0.31 2.68 -0.81 -1.51 0.00 0.00 177.10 177.69 1uit n PRO 101 N 5.04 2.07 0.00 -0.60 -0.04 -1.26 -3.99 135.00 136.22 1uit n PRO 101 Ca -0.09 -1.21 0.00 0.00 -0.04 0.00 0.00 63.50 62.16 1uit n PRO 101 Cb 0.47 -2.20 0.00 0.00 -0.04 0.00 0.00 33.50 31.73 1uit n PRO 101 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 1uit n HIS 102 N 3.21 0.00 0.06 0.54 1.44 -1.26 -5.07 115.22 114.14 1uit n HIS 102 Ca 0.44 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 56.15 1uit n HIS 102 Cb 0.46 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.57 1uit n HIS 102 CO 0.00 0.00 0.00 1.55 -2.81 0.00 0.00 176.34 175.08 1uit n VAL 103 N 0.00 0.11 -3.49 0.61 3.14 -1.26 -5.09 118.33 112.36 1uit n VAL 103 Ca 0.00 0.04 -0.38 0.00 -2.96 0.00 0.00 64.34 61.04 1uit n VAL 103 Cb 0.00 -0.70 0.04 0.00 -1.06 0.00 0.00 33.84 32.12 1uit n VAL 103 CO 0.00 0.00 0.00 1.41 -6.46 0.00 0.00 176.83 171.78 1uit n HIS 104 N -3.03 -2.56 -2.85 1.45 8.25 -1.26 -4.78 115.22 110.43 1uit n HIS 104 Ca 0.00 1.08 -0.44 0.00 -0.26 0.00 0.00 57.72 58.10 1uit n HIS 104 Cb 0.05 -1.70 0.00 0.00 1.12 0.00 0.00 29.99 29.46 1uit n HIS 104 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1uit n GLN 105 N -0.12 3.41 -1.83 -0.41 1.13 -1.26 -5.00 117.38 113.31 1uit n GLN 105 Ca -0.09 -3.80 -0.31 0.00 -1.94 0.00 0.00 57.00 50.86 1uit n GLN 105 Cb 0.68 -3.02 0.02 0.00 0.11 0.00 0.00 30.24 28.02 1uit n GLN 105 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1uit s LEU 106 N 1.30 3.23 -0.25 1.08 1.43 -1.26 -5.07 118.68 119.14 1uit s LEU 106 Ca 0.42 1.47 -0.33 0.00 -1.03 0.00 0.00 54.13 54.67 1uit s LEU 106 Cb -0.01 -4.48 0.17 0.00 0.03 0.00 0.00 46.19 41.90 1uit s LEU 106 CO 0.00 -0.98 1.29 -0.94 0.23 0.00 0.00 176.35 175.95 1uit s SER 107 N -4.05 -0.09 -0.11 2.29 1.04 -1.26 -5.12 113.70 106.39 1uit s SER 107 Ca 0.56 0.06 -0.29 0.00 0.48 0.00 0.00 55.95 56.76 1uit s SER 107 Cb -0.12 0.09 -0.05 0.00 0.10 0.00 0.00 66.02 66.04 1uit s SER 107 CO 0.53 -0.12 1.69 -0.44 0.98 0.00 0.00 173.24 175.88 1uit s SER 108 N -1.51 6.50 0.37 7.02 0.01 -1.26 -4.99 113.70 119.84 1uit s SER 108 Ca 0.08 2.03 0.08 0.00 1.31 0.00 0.00 55.95 59.46 1uit s SER 108 Cb -0.01 -2.53 -0.04 0.00 0.21 0.00 0.00 66.02 63.64 1uit s SER 108 CO -0.05 -1.10 0.16 -2.28 0.41 0.00 0.00 173.24 170.38 1uit s HIS 109 N 4.68 2.66 -0.32 2.43 5.04 -1.26 -5.11 115.29 123.41 1uit s HIS 109 Ca 0.75 -0.46 -0.09 0.00 -1.54 0.00 0.00 55.06 53.72 1uit s HIS 109 Cb -0.31 -1.76 0.19 0.00 0.04 0.00 0.00 32.58 30.74 1uit s HIS 109 CO 0.30 0.27 1.03 -1.12 -2.34 0.00 0.00 174.74 172.89 1uit s SER 110 N -3.87 -0.39 -0.40 9.88 0.01 -1.26 -5.13 113.70 112.54 1uit s SER 110 Ca 0.39 -0.15 -0.12 0.00 1.31 0.00 0.00 55.95 57.38 1uit s SER 110 Cb -0.00 0.63 0.04 0.00 0.21 0.00 0.00 66.02 66.89 1uit s SER 110 CO 0.23 -0.05 0.27 -0.60 0.41 0.00 0.00 173.24 173.49 1uit s ARG 111 N 2.14 2.85 0.11 12.44 6.06 -1.26 -5.07 118.95 136.23 1uit s ARG 111 Ca 0.17 -1.15 0.04 0.00 -2.50 0.00 0.00 55.73 52.28 1uit s ARG 111 Cb 0.02 -3.86 -0.04 0.00 0.06 0.00 0.00 34.95 31.13 1uit s ARG 111 CO -0.16 -0.79 0.10 0.45 -2.50 0.00 0.00 175.30 172.39 1uit s SER 112 N 1.80 5.49 0.00 -2.12 0.15 -1.26 -5.07 113.70 112.70 1uit s SER 112 Ca 0.03 -0.07 0.00 0.00 0.70 0.00 0.00 55.95 56.61 1uit s SER 112 Cb -0.20 -1.45 0.00 0.00 -1.71 0.00 0.00 66.02 62.66 1uit s SER 112 CO 0.07 0.13 0.00 0.61 1.20 0.00 0.00 173.24 175.25 1uit n GLY 113 N 0.15 4.12 3.77 9.45 0.00 -1.26 -5.13 105.19 116.29 1uit n GLY 113 Ca -0.09 -1.52 -0.29 0.00 0.00 0.00 0.00 46.02 44.12 1uit n GLY 113 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1uit s PRO 114 N -3.59 0.32 0.06 1.61 0.04 -1.26 -4.96 135.00 127.23 1uit s PRO 114 Ca 0.00 -0.02 0.00 0.00 0.04 0.00 0.00 61.00 61.02 1uit s PRO 114 Cb 0.00 -1.77 0.00 0.00 0.04 0.00 0.00 34.50 32.77 1uit s PRO 114 CO 0.00 -2.69 0.00 -1.13 0.04 0.00 0.00 177.00 173.22 1uit n SER 115 N -4.05 -0.56 -2.71 6.66 3.41 -1.26 -5.11 113.62 110.00 1uit n SER 115 Ca 0.11 0.43 -0.02 0.00 -0.26 0.00 0.00 58.87 59.13 1uit n SER 115 Cb 0.59 0.85 -0.02 0.00 -0.26 0.00 0.00 64.21 65.38 1uit n SER 115 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1uit n SER 116 N -2.72 -5.37 -0.22 4.04 7.64 -1.26 -5.37 113.62 110.36 1uit n SER 116 Ca 0.00 1.37 0.15 0.00 1.01 0.00 0.00 58.87 61.40 1uit n SER 116 Cb 0.00 -5.11 0.76 0.00 -1.01 0.00 0.00 64.21 58.85 1uit n SER 116 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64