#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x44 s LYS 1 N 0.00 2.85 0.59 2.12 1.02 -1.26 -5.11 119.74 119.94 2x44 s LYS 1 Ca 0.00 -0.52 -0.17 0.00 0.02 0.00 0.00 55.97 55.30 2x44 s LYS 1 Cb 0.00 -2.65 -0.04 0.00 -0.52 0.00 0.00 37.83 34.62 2x44 s LYS 1 CO 0.00 0.65 1.09 0.00 -0.92 0.00 0.00 175.35 176.17 2x44 s ALA 2 N -0.76 2.66 -0.09 5.17 0.00 -1.26 -5.06 121.76 122.43 2x44 s ALA 2 Ca 0.12 0.58 -0.07 0.00 0.00 0.00 0.00 51.96 52.59 2x44 s ALA 2 Cb -0.11 -3.30 0.03 0.00 0.00 0.00 0.00 23.12 19.74 2x44 s ALA 2 CO 0.02 -0.88 0.22 1.41 0.00 0.00 0.00 175.76 176.53 2x44 s MET 3 N -3.76 0.23 0.20 0.00 1.75 -1.26 -5.14 119.30 111.33 2x44 s MET 3 Ca 0.68 0.37 -0.30 0.00 -1.25 0.00 0.00 55.69 55.19 2x44 s MET 3 Cb -0.20 0.04 -0.08 0.00 2.84 0.00 0.00 34.83 37.43 2x44 s MET 3 CO 0.33 -0.07 0.99 -1.58 -0.65 0.00 0.00 175.02 174.04 2x44 s HIS 4 N 0.49 3.83 -0.11 4.11 2.46 -1.26 -5.00 115.29 119.81 2x44 s HIS 4 Ca -0.03 1.81 0.01 0.00 0.47 0.00 0.00 55.06 57.32 2x44 s HIS 4 Cb -0.05 -3.08 0.02 0.00 -0.13 0.00 0.00 32.58 29.34 2x44 s HIS 4 CO -0.02 0.11 -0.12 0.08 -2.47 0.00 0.00 174.74 172.31 2x44 s VAL 5 N -0.74 1.30 -0.05 0.89 1.01 -1.26 -3.52 120.40 118.04 2x44 s VAL 5 Ca 0.44 -0.50 -0.00 0.00 0.00 0.00 0.00 61.98 61.92 2x44 s VAL 5 Cb -0.27 -1.23 -0.03 0.00 0.00 0.00 0.00 36.38 34.85 2x44 s VAL 5 CO 0.33 0.41 -0.01 0.00 0.00 0.00 0.00 175.10 175.83 2x44 s ALA 6 N 1.27 3.24 0.07 5.51 0.00 -0.38 -4.95 121.76 126.53 2x44 s ALA 6 Ca -0.02 -0.88 -0.18 0.00 0.00 0.00 0.00 51.96 50.88 2x44 s ALA 6 Cb -0.14 -1.38 0.04 0.00 0.00 0.00 0.00 23.12 21.64 2x44 s ALA 6 CO -0.05 0.61 0.43 1.14 0.00 0.00 0.00 175.76 177.90 2x44 s GLN 7 N -1.16 1.00 0.31 0.00 -2.07 -1.26 -1.32 119.66 115.16 2x44 s GLN 7 Ca 0.16 -0.45 -0.30 0.00 -1.82 0.00 0.00 55.36 52.95 2x44 s GLN 7 Cb -0.11 0.45 -0.11 0.00 -1.09 0.00 0.00 33.01 32.14 2x44 s GLN 7 CO 0.06 -0.37 1.55 -1.25 -1.32 0.00 0.00 175.29 173.96 2x44 s PRO 8 N -2.93 4.14 0.19 9.60 0.04 -1.26 -4.91 135.00 139.87 2x44 s PRO 8 Ca -0.02 2.54 -0.12 0.00 0.04 0.00 0.00 61.00 63.44 2x44 s PRO 8 Cb 0.00 -3.02 0.12 0.00 0.04 0.00 0.00 34.50 31.64 2x44 s PRO 8 CO -0.06 -0.58 1.86 0.00 0.04 0.00 0.00 177.00 178.26 2x44 h ALA 9 N 4.43 0.84 -3.84 8.56 0.00 -2.00 -3.43 119.26 123.81 2x44 h ALA 9 Ca -0.48 -0.05 -0.36 0.00 0.00 0.00 0.00 54.91 54.02 2x44 h ALA 9 Cb 1.22 -0.27 -0.27 0.00 0.00 0.00 0.00 17.79 18.47 2x44 h ALA 9 CO 0.76 0.28 -0.76 0.08 0.00 0.00 0.00 179.25 179.60 2x44 s VAL 10 N -6.12 0.62 -0.02 0.00 1.01 -1.26 -5.07 120.40 109.56 2x44 s VAL 10 Ca -0.13 -0.48 0.01 0.00 0.00 0.00 0.00 61.98 61.37 2x44 s VAL 10 Cb 0.14 -0.55 0.02 0.00 0.00 0.00 0.00 36.38 35.99 2x44 s VAL 10 CO 0.77 0.07 -0.01 -0.69 0.00 0.00 0.00 175.10 175.24 2x44 s VAL 11 N -0.40 0.17 -0.32 2.92 1.01 -1.26 -5.13 120.40 117.39 2x44 s VAL 11 Ca 0.01 0.02 -0.14 0.00 0.00 0.00 0.00 61.98 61.87 2x44 s VAL 11 Cb -0.04 -0.22 -0.02 0.00 0.00 0.00 0.00 36.38 36.09 2x44 s VAL 11 CO -0.00 0.11 0.32 -0.76 0.00 0.00 0.00 175.10 174.77 2x44 s LEU 12 N 0.62 4.29 0.37 3.92 2.01 -1.26 -5.06 118.68 123.57 2x44 s LEU 12 Ca -0.06 -0.11 -0.28 0.00 0.01 0.00 0.00 54.13 53.69 2x44 s LEU 12 Cb -0.09 -2.30 -0.10 0.00 0.01 0.00 0.00 46.19 43.71 2x44 s LEU 12 CO -0.01 -0.24 1.36 0.00 1.01 0.00 0.00 176.35 178.46 2x44 s ALA 13 N 1.95 3.45 1.19 4.21 0.00 -1.26 -4.90 121.76 126.40 2x44 s ALA 13 Ca 0.11 1.34 -0.16 0.00 0.00 0.00 0.00 51.96 53.25 2x44 s ALA 13 Cb -0.16 -3.52 0.28 0.00 0.00 0.00 0.00 23.12 19.72 2x44 s ALA 13 CO 0.11 -0.81 1.04 -1.54 0.00 0.00 0.00 175.76 174.56 2x44 s SER 14 N -0.46 0.93 0.56 0.00 1.04 -0.87 -4.82 113.70 110.08 2x44 s SER 14 Ca 0.52 1.06 0.34 0.00 0.48 0.00 0.00 55.95 58.35 2x44 s SER 14 Cb -0.41 -1.60 1.63 0.00 0.10 0.00 0.00 66.02 65.74 2x44 s SER 14 CO 0.55 -4.17 2.10 0.77 0.98 0.00 0.00 173.24 173.47 2x44 h SER 15 N -2.60 0.00 0.73 7.02 4.64 -1.94 0.71 113.55 122.10 2x44 h SER 15 Ca -0.53 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.79 2x44 h SER 15 Cb 1.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.42 2x44 h SER 15 CO 0.44 0.06 0.00 -1.14 -0.87 0.00 0.00 176.83 175.32 2x44 n ARG 16 N -3.30 0.18 -1.96 4.77 0.63 -1.26 -4.93 116.66 110.79 2x44 n ARG 16 Ca -0.01 0.03 -0.08 0.00 -0.92 0.00 0.00 57.85 56.87 2x44 n ARG 16 Cb 0.23 -1.50 -0.01 0.00 0.45 0.00 0.00 32.46 31.63 2x44 n ARG 16 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2x44 n GLY 17 N 1.16 0.24 3.64 5.14 0.00 0.24 -4.49 105.19 111.12 2x44 n GLY 17 Ca 0.09 -0.58 -0.36 0.00 0.00 0.00 0.00 46.02 45.18 2x44 n GLY 17 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2x44 s ILE 18 N -2.38 5.16 -0.07 -0.61 1.01 -1.26 -1.74 121.20 121.31 2x44 s ILE 18 Ca 0.00 0.11 0.05 0.00 0.00 0.00 0.00 60.65 60.80 2x44 s ILE 18 Cb 0.00 -3.39 -0.00 0.00 0.01 0.00 0.00 42.46 39.08 2x44 s ILE 18 CO 0.00 0.37 -0.22 0.00 0.00 0.00 0.00 174.94 175.09 2x44 s ALA 19 N 0.92 1.96 -0.00 9.38 0.00 0.42 -2.06 121.76 132.38 2x44 s ALA 19 Ca 0.07 -0.90 0.07 0.00 0.00 0.00 0.00 51.96 51.19 2x44 s ALA 19 Cb -0.13 -0.67 -0.02 0.00 0.00 0.00 0.00 23.12 22.30 2x44 s ALA 19 CO 0.03 0.33 -0.21 -1.12 0.00 0.00 0.00 175.76 174.79 2x44 s SER 20 N 0.09 2.51 0.10 0.00 0.01 -1.26 0.24 113.70 115.38 2x44 s SER 20 Ca -0.09 -0.42 -0.17 0.00 1.31 0.00 0.00 55.95 56.58 2x44 s SER 20 Cb -0.15 -0.26 0.04 0.00 0.21 0.00 0.00 66.02 65.86 2x44 s SER 20 CO 0.05 0.24 0.41 0.72 0.41 0.00 0.00 173.24 175.07 2x44 s PHE 21 N -0.56 -0.24 -0.10 2.43 -0.12 -0.36 -5.00 117.98 114.03 2x44 s PHE 21 Ca 0.08 0.03 -0.03 0.00 -0.05 0.00 0.00 56.93 56.96 2x44 s PHE 21 Cb -0.08 0.25 -0.03 0.00 -0.63 0.00 0.00 43.02 42.53 2x44 s PHE 21 CO -0.00 -0.66 0.02 0.08 -0.05 0.00 0.00 175.22 174.61 2x44 s VAL 22 N -3.32 4.44 -0.29 -2.49 1.01 -1.26 -0.68 120.40 117.81 2x44 s VAL 22 Ca -0.00 -0.19 0.01 0.00 0.00 0.00 0.00 61.98 61.80 2x44 s VAL 22 Cb 0.01 -2.89 0.06 0.00 0.00 0.00 0.00 36.38 33.57 2x44 s VAL 22 CO -0.09 0.59 -0.03 0.00 0.00 0.00 0.00 175.10 175.58 2x44 s GLU 24 N 1.13 3.50 0.09 0.00 2.02 -0.43 -1.86 118.70 123.15 2x44 s GLU 24 Ca -0.04 -0.40 -0.16 0.00 0.02 0.00 0.00 54.97 54.39 2x44 s GLU 24 Cb -0.20 -2.77 0.03 0.00 0.10 0.00 0.00 34.13 31.29 2x44 s GLU 24 CO -0.04 0.30 0.38 1.52 0.02 0.00 0.00 175.26 177.44 2x44 s TYR 25 N -2.08 -0.19 -0.97 1.61 -0.85 -1.19 -1.25 117.35 112.44 2x44 s TYR 25 Ca 0.38 -0.04 -0.10 0.00 -0.52 0.00 0.00 57.07 56.79 2x44 s TYR 25 Cb -0.10 0.22 0.25 0.00 0.38 0.00 0.00 41.96 42.70 2x44 s TYR 25 CO 0.32 -0.64 0.93 0.00 -1.52 0.00 0.00 175.55 174.63 2x44 s ALA 26 N -3.36 4.41 0.48 9.51 0.00 -1.23 -4.83 121.76 126.74 2x44 s ALA 26 Ca 0.00 -3.63 -0.09 0.00 0.00 0.00 0.00 51.96 48.25 2x44 s ALA 26 Cb 0.01 -3.45 -0.05 0.00 0.00 0.00 0.00 23.12 19.63 2x44 s ALA 26 CO -0.09 -2.22 0.83 -1.54 0.00 0.00 0.00 175.76 172.74 2x44 s SER 27 N 1.49 6.38 0.00 0.00 1.04 -1.26 -4.83 113.70 116.52 2x44 s SER 27 Ca 0.25 1.12 -0.24 0.00 0.48 0.00 0.00 55.95 57.56 2x44 s SER 27 Cb -0.10 -2.32 -0.18 0.00 0.10 0.00 0.00 66.02 63.51 2x44 s SER 27 CO -0.09 -0.55 1.31 -0.65 0.98 0.00 0.00 173.24 174.24 2x44 h PRO 28 N 0.57 0.11 0.00 4.02 0.11 -2.03 -3.50 132.00 131.28 2x44 h PRO 28 Ca -0.47 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.59 2x44 h PRO 28 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2x44 h PRO 28 CO 0.62 0.55 0.00 0.41 -0.21 0.00 0.00 178.00 179.37 2x44 n GLY 29 N 0.17 2.16 3.56 -0.55 0.00 -1.26 -5.10 105.19 104.17 2x44 n GLY 29 Ca -0.08 -0.32 -0.40 0.00 0.00 0.00 0.00 46.02 45.23 2x44 n GLY 29 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2x44 s LYS 30 N 2.35 2.91 -0.06 1.61 2.36 -1.26 -4.97 119.74 122.68 2x44 s LYS 30 Ca 0.00 0.56 -0.30 0.00 -2.55 0.00 0.00 55.97 53.68 2x44 s LYS 30 Cb 0.00 -4.29 -0.02 0.00 -1.05 0.00 0.00 37.83 32.47 2x44 s LYS 30 CO 0.00 -2.40 1.03 0.00 1.55 0.00 0.00 175.35 175.53 2x44 s ALA 31 N 7.81 3.34 0.15 3.13 0.00 -1.26 -4.93 121.76 129.99 2x44 s ALA 31 Ca 0.61 0.48 -0.22 0.00 0.00 0.00 0.00 51.96 52.84 2x44 s ALA 31 Cb -0.13 -3.42 0.02 0.00 0.00 0.00 0.00 23.12 19.60 2x44 s ALA 31 CO 0.22 -0.50 1.64 1.15 0.00 0.00 0.00 175.76 178.28 2x44 h THR 32 N 4.96 0.45 -3.08 0.00 2.02 -1.52 -3.12 112.91 112.63 2x44 h THR 32 Ca -0.35 0.00 -0.62 0.00 0.77 0.00 0.00 66.41 66.21 2x44 h THR 32 Cb 1.18 0.45 -0.12 0.00 -1.74 0.00 0.00 68.15 67.92 2x44 h THR 32 CO 0.82 0.00 -0.66 -1.61 0.37 0.00 0.00 175.52 174.44 2x44 s GLU 33 N -6.11 2.45 -0.11 6.66 2.02 -0.94 -4.36 118.70 118.31 2x44 s GLU 33 Ca -0.15 -1.00 -0.05 0.00 0.02 0.00 0.00 54.97 53.80 2x44 s GLU 33 Cb 0.12 -2.43 0.06 0.00 0.10 0.00 0.00 34.13 31.98 2x44 s GLU 33 CO 0.68 0.49 0.24 0.54 0.02 0.00 0.00 175.26 177.23 2x44 s VAL 34 N -1.55 -0.26 -0.17 2.63 0.11 1.00 -1.91 120.40 120.25 2x44 s VAL 34 Ca 0.27 0.24 0.01 0.00 -2.93 0.00 0.00 61.98 59.56 2x44 s VAL 34 Cb -0.10 -0.40 0.03 0.00 -1.53 0.00 0.00 36.38 34.38 2x44 s VAL 34 CO 0.18 0.10 -0.15 -0.60 -3.33 0.00 0.00 175.10 171.30 2x44 s ARG 35 N 1.97 2.45 -0.11 1.54 3.52 0.88 -1.05 118.95 128.14 2x44 s ARG 35 Ca -0.03 -0.74 -0.05 0.00 -0.13 0.00 0.00 55.73 54.79 2x44 s ARG 35 Cb -0.11 -2.35 -0.04 0.00 -1.56 0.00 0.00 34.95 30.89 2x44 s ARG 35 CO -0.08 -0.29 0.06 0.54 -0.81 0.00 0.00 175.30 174.73 2x44 s VAL 36 N 1.39 4.84 -0.04 7.11 0.11 -0.16 -0.09 120.40 133.56 2x44 s VAL 36 Ca 0.03 -0.04 0.00 0.00 -2.93 0.00 0.00 61.98 59.04 2x44 s VAL 36 Cb -0.14 -3.08 0.02 0.00 -1.53 0.00 0.00 36.38 31.65 2x44 s VAL 36 CO -0.11 0.59 -0.02 -0.89 -3.33 0.00 0.00 175.10 171.35 2x44 s THR 37 N -0.79 0.35 -0.22 5.04 2.01 0.89 -0.98 115.64 121.94 2x44 s THR 37 Ca 0.13 0.01 -0.09 0.00 0.31 0.00 0.00 61.69 62.05 2x44 s THR 37 Cb -0.12 -0.43 -0.04 0.00 0.01 0.00 0.00 72.50 71.92 2x44 s THR 37 CO 0.03 0.20 0.11 -0.69 -0.69 0.00 0.00 174.62 173.57 2x44 s VAL 38 N 1.15 4.95 0.07 3.82 1.01 0.01 -0.23 120.40 131.18 2x44 s VAL 38 Ca -0.08 0.03 0.07 0.00 0.00 0.00 0.00 61.98 62.00 2x44 s VAL 38 Cb -0.14 -3.28 -0.04 0.00 0.00 0.00 0.00 36.38 32.93 2x44 s VAL 38 CO -0.02 0.39 -0.13 -0.76 0.00 0.00 0.00 175.10 174.58 2x44 s LEU 39 N 0.91 2.88 -0.08 3.92 1.02 -0.27 -1.16 118.68 125.90 2x44 s LEU 39 Ca 0.05 -0.39 0.03 0.00 0.02 0.00 0.00 54.13 53.84 2x44 s LEU 39 Cb -0.13 -1.69 -0.02 0.00 0.02 0.00 0.00 46.19 44.37 2x44 s LEU 39 CO 0.03 0.22 -0.16 -0.60 0.02 0.00 0.00 176.35 175.86 2x44 s ARG 40 N -1.84 2.88 -0.16 1.70 3.52 0.89 -0.00 118.95 125.93 2x44 s ARG 40 Ca 0.18 -0.74 0.00 0.00 -0.13 0.00 0.00 55.73 55.05 2x44 s ARG 40 Cb -0.11 -2.43 0.00 0.00 -1.56 0.00 0.00 34.95 30.85 2x44 s ARG 40 CO 0.10 0.40 -0.16 -1.14 -0.81 0.00 0.00 175.30 173.69 2x44 s GLN 41 N -0.17 3.15 -0.21 5.12 0.74 0.51 -1.14 119.66 127.66 2x44 s GLN 41 Ca -0.01 -0.77 -0.18 0.00 0.05 0.00 0.00 55.36 54.45 2x44 s GLN 41 Cb -0.14 -2.61 0.06 0.00 1.10 0.00 0.00 33.01 31.42 2x44 s GLN 41 CO 0.03 -0.05 0.56 0.00 -0.55 0.00 0.00 175.29 175.28 2x44 s ALA 42 N 0.96 -1.40 -1.84 1.58 0.00 -0.78 -1.62 121.76 118.65 2x44 s ALA 42 Ca -0.03 1.68 0.00 0.00 0.00 0.00 0.00 51.96 53.62 2x44 s ALA 42 Cb -0.15 -0.99 0.00 0.00 0.00 0.00 0.00 23.12 21.98 2x44 s ALA 42 CO -0.03 -0.28 0.00 -0.25 0.00 0.00 0.00 175.76 175.20 2x44 n ASP 43 N 3.18 -5.40 0.00 0.00 9.92 -1.26 -0.87 116.55 122.12 2x44 n ASP 43 Ca -0.16 0.24 0.00 0.00 -0.53 0.00 0.00 54.79 54.34 2x44 n ASP 43 Cb 0.56 -4.52 0.00 0.00 -0.64 0.00 0.00 41.12 36.53 2x44 n ASP 43 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 2x44 n SER 44 N -1.35 0.00 -4.71 -2.24 2.88 -1.26 -5.01 113.62 101.93 2x44 n SER 44 Ca -0.21 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 56.91 2x44 n SER 44 Cb 0.65 -0.41 -0.03 0.00 -0.75 0.00 0.00 64.21 63.66 2x44 n SER 44 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 2x44 s GLN 45 N 0.00 4.53 -0.20 -1.46 -1.52 -0.05 -5.04 119.66 115.93 2x44 s GLN 45 Ca 0.00 1.37 -0.05 0.00 -1.95 0.00 0.00 55.36 54.72 2x44 s GLN 45 Cb 0.00 -3.47 -0.03 0.00 -0.22 0.00 0.00 33.01 29.30 2x44 s GLN 45 CO 0.00 -0.07 0.01 0.08 -0.25 0.00 0.00 175.29 175.06 2x44 s VAL 46 N 1.10 4.01 0.12 1.09 1.01 -1.26 -1.87 120.40 124.61 2x44 s VAL 46 Ca 0.50 -0.29 0.11 0.00 0.00 0.00 0.00 61.98 62.30 2x44 s VAL 46 Cb -0.20 -2.82 -0.04 0.00 0.00 0.00 0.00 36.38 33.32 2x44 s VAL 46 CO 0.26 0.42 -0.27 -0.89 0.00 0.00 0.00 175.10 174.62 2x44 s THR 47 N 1.02 2.24 -0.34 3.92 2.01 -0.29 -4.95 115.64 119.25 2x44 s THR 47 Ca 0.02 -1.72 -0.24 0.00 0.31 0.00 0.00 61.69 60.06 2x44 s THR 47 Cb -0.14 -1.98 0.01 0.00 0.01 0.00 0.00 72.50 70.39 2x44 s THR 47 CO 0.02 0.11 0.82 -0.70 -0.69 0.00 0.00 174.62 174.18 2x44 s GLU 48 N -1.99 3.86 -0.05 4.92 2.12 -1.26 -0.08 118.70 126.22 2x44 s GLU 48 Ca 0.14 0.48 -0.13 0.00 0.36 0.00 0.00 54.97 55.82 2x44 s GLU 48 Cb -0.10 -3.77 -0.31 0.00 0.26 0.00 0.00 34.13 30.21 2x44 s GLU 48 CO 0.06 -0.80 0.69 -0.39 -0.54 0.00 0.00 175.26 174.28 2x44 h VAL 49 N 5.70 1.00 -2.58 3.70 -1.51 -1.48 -3.48 116.25 117.61 2x44 h VAL 49 Ca -0.24 -2.51 0.07 0.00 -1.23 0.00 0.00 66.70 62.79 2x44 h VAL 49 Cb 1.09 2.80 -0.13 0.00 -2.13 0.00 0.00 31.29 32.93 2x44 h VAL 49 CO 0.91 0.83 0.38 0.00 -1.23 0.00 0.00 177.57 178.46 2x44 s ALA 51 N -3.40 -0.66 0.01 0.00 0.00 -1.26 -0.81 121.76 115.63 2x44 s ALA 51 Ca 0.05 0.72 -0.04 0.00 0.00 0.00 0.00 51.96 52.69 2x44 s ALA 51 Cb -0.01 -0.41 -0.01 0.00 0.00 0.00 0.00 23.12 22.69 2x44 s ALA 51 CO -0.08 -0.13 0.07 0.00 0.00 0.00 0.00 175.76 175.61 2x44 s ALA 52 N 0.05 -0.12 0.05 0.00 0.00 -0.15 -4.34 121.76 117.25 2x44 s ALA 52 Ca -0.01 -0.36 0.05 0.00 0.00 0.00 0.00 51.96 51.64 2x44 s ALA 52 Cb -0.02 0.14 -0.02 0.00 0.00 0.00 0.00 23.12 23.21 2x44 s ALA 52 CO 0.01 -0.20 -0.15 0.99 0.00 0.00 0.00 175.76 176.40 2x44 s THR 53 N -1.54 1.21 0.26 0.00 2.01 -1.26 -0.99 115.64 115.33 2x44 s THR 53 Ca -0.14 -1.12 -0.20 0.00 0.31 0.00 0.00 61.69 60.54 2x44 s THR 53 Cb -0.08 -1.10 0.07 0.00 0.01 0.00 0.00 72.50 71.40 2x44 s THR 53 CO -0.00 -0.03 0.96 -0.72 -0.69 0.00 0.00 174.62 174.14 2x44 s TYR 54 N -0.95 0.10 -0.01 4.92 -0.85 -0.21 -4.67 117.35 115.66 2x44 s TYR 54 Ca 0.02 -0.60 -0.02 0.00 -0.52 0.00 0.00 57.07 55.95 2x44 s TYR 54 Cb -0.09 0.75 -0.04 0.00 0.38 0.00 0.00 41.96 42.97 2x44 s TYR 54 CO 0.02 -1.15 0.15 -1.64 -1.52 0.00 0.00 175.55 171.41 2x44 s MET 55 N -2.17 3.34 -0.12 -3.49 -1.94 -1.26 -0.00 119.30 113.65 2x44 s MET 55 Ca 0.20 -0.35 -0.37 0.00 -1.71 0.00 0.00 55.69 53.45 2x44 s MET 55 Cb -0.04 -3.04 -0.14 0.00 2.01 0.00 0.00 34.83 33.62 2x44 s MET 55 CO 0.08 0.67 1.71 -0.12 -0.01 0.00 0.00 175.02 177.34 2x44 n MET 56 N 1.07 1.57 0.00 2.03 1.56 -1.18 -1.36 117.12 120.82 2x44 n MET 56 Ca -0.12 0.57 0.00 0.00 -0.27 0.00 0.00 57.70 57.88 2x44 n MET 56 Cb 0.53 -2.31 0.00 0.00 2.15 0.00 0.00 33.22 33.59 2x44 n MET 56 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 2x44 n GLY 57 N 3.91 2.81 3.55 -5.12 0.00 -1.26 -4.97 105.19 104.12 2x44 n GLY 57 Ca 0.23 -0.70 -0.35 0.00 0.00 0.00 0.00 46.02 45.20 2x44 n GLY 57 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2x44 n ASN 58 N 2.38 -0.38 -4.81 1.61 4.13 -0.46 -4.79 115.26 112.95 2x44 n ASN 58 Ca 0.00 0.57 -0.33 0.00 1.68 0.00 0.00 54.58 56.50 2x44 n ASN 58 Cb 0.00 -1.33 -0.04 0.00 -1.54 0.00 0.00 39.78 36.87 2x44 n ASN 58 CO 0.00 0.00 0.00 -0.70 0.28 0.00 0.00 177.26 176.84 2x44 s GLU 59 N -3.36 3.87 0.56 3.52 2.56 -1.26 -4.62 118.70 119.98 2x44 s GLU 59 Ca 0.68 1.25 -0.16 0.00 0.00 0.00 0.00 54.97 56.74 2x44 s GLU 59 Cb -0.31 -2.11 -0.05 0.00 2.00 0.00 0.00 34.13 33.65 2x44 s GLU 59 CO 0.56 -0.36 1.03 -0.51 -0.56 0.00 0.00 175.26 175.42 2x44 s LEU 60 N -3.57 3.53 -0.23 2.70 1.02 -1.26 -4.81 118.68 116.06 2x44 s LEU 60 Ca 0.65 1.70 -0.11 0.00 0.02 0.00 0.00 54.13 56.39 2x44 s LEU 60 Cb -0.14 -4.52 0.08 0.00 0.02 0.00 0.00 46.19 41.64 2x44 s LEU 60 CO 0.21 -0.92 0.54 -0.89 0.02 0.00 0.00 176.35 175.30 2x44 s THR 61 N -2.56 -0.31 0.53 5.49 2.01 -1.26 -4.77 115.64 114.77 2x44 s THR 61 Ca 0.61 0.06 0.04 0.00 0.31 0.00 0.00 61.69 62.72 2x44 s THR 61 Cb -0.13 -0.81 0.04 0.00 0.01 0.00 0.00 72.50 71.61 2x44 s THR 61 CO 0.36 0.03 0.74 -0.36 -0.69 0.00 0.00 174.62 174.69 2x44 s PHE 62 N 1.97 2.56 1.09 4.92 0.40 -1.26 -4.54 117.98 123.12 2x44 s PHE 62 Ca -0.07 -0.23 -0.13 0.00 -0.60 0.00 0.00 56.93 55.90 2x44 s PHE 62 Cb -0.09 -2.62 0.20 0.00 0.51 0.00 0.00 43.02 41.03 2x44 s PHE 62 CO -0.16 -0.86 0.80 1.28 0.70 0.00 0.00 175.22 176.98 2x44 n LEU 63 N -2.24 -0.40 -4.65 -0.37 7.99 -1.26 -4.84 117.00 111.23 2x44 n LEU 63 Ca 0.10 0.03 -0.47 0.00 -0.01 0.00 0.00 56.01 55.65 2x44 n LEU 63 Cb 0.60 -1.25 -0.04 0.00 -0.11 0.00 0.00 43.42 42.62 2x44 n LEU 63 CO 0.42 -3.04 1.07 0.47 -1.51 0.00 0.00 177.39 174.80 2x44 n ASP 64 N -3.83 2.63 -3.84 -1.43 9.92 -1.26 -2.29 116.55 116.45 2x44 n ASP 64 Ca 0.05 1.11 -0.25 0.00 -0.53 0.00 0.00 54.79 55.16 2x44 n ASP 64 Cb 0.55 -1.37 0.01 0.00 -0.64 0.00 0.00 41.12 39.68 2x44 n ASP 64 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 2x44 n ASP 65 N 2.87 -1.95 -4.80 -2.24 10.43 -1.26 -4.94 116.55 114.66 2x44 n ASP 65 Ca 0.16 -0.87 -0.32 0.00 2.57 0.00 0.00 54.79 56.33 2x44 n ASP 65 Cb 0.27 -3.70 0.03 0.00 1.84 0.00 0.00 41.12 39.56 2x44 n ASP 65 CO 0.00 0.00 0.00 -0.55 -1.07 0.00 0.00 177.20 175.58 2x44 s SER 66 N -4.05 5.47 0.31 -2.24 0.15 -0.97 -4.95 113.70 107.42 2x44 s SER 66 Ca 0.21 1.80 0.05 0.00 0.70 0.00 0.00 55.95 58.71 2x44 s SER 66 Cb -0.10 -2.53 0.50 0.00 -1.71 0.00 0.00 66.02 62.18 2x44 s SER 66 CO 0.84 -1.38 1.75 0.40 1.20 0.00 0.00 173.24 176.05 2x44 h ILE 67 N -0.02 1.27 -2.86 6.45 2.04 -1.87 -3.46 117.51 119.05 2x44 h ILE 67 Ca -0.46 -1.29 -0.65 0.00 1.00 0.00 0.00 64.86 63.47 2x44 h ILE 67 Cb 1.22 1.47 -0.07 0.00 -0.74 0.00 0.00 36.82 38.70 2x44 h ILE 67 CO 0.56 0.40 -0.51 0.00 0.00 0.00 0.00 178.15 178.59 2x44 s THR 69 N -1.25 2.05 0.02 0.00 2.01 -0.33 -4.72 115.64 113.43 2x44 s THR 69 Ca 0.24 -1.68 -0.13 0.00 0.31 0.00 0.00 61.69 60.42 2x44 s THR 69 Cb -0.12 -1.83 0.02 0.00 0.01 0.00 0.00 72.50 70.57 2x44 s THR 69 CO 0.15 0.03 0.29 -0.83 -0.69 0.00 0.00 174.62 173.57 2x44 s GLY 70 N -2.02 -0.11 -0.17 4.40 0.00 -1.26 -0.03 107.32 108.13 2x44 s GLY 70 Ca 0.11 0.09 -0.05 0.00 0.00 0.00 0.00 44.72 44.88 2x44 s GLY 70 CO 0.05 -0.12 0.31 -1.59 0.00 0.00 0.00 173.10 171.76 2x44 s THR 71 N -2.06 -0.49 -0.14 0.90 2.01 -0.99 -4.13 115.64 110.74 2x44 s THR 71 Ca -0.09 0.14 -0.17 0.00 0.31 0.00 0.00 61.69 61.89 2x44 s THR 71 Cb -0.03 -0.59 -0.04 0.00 0.01 0.00 0.00 72.50 71.85 2x44 s THR 71 CO -0.00 0.02 0.44 -0.94 -0.69 0.00 0.00 174.62 173.45 2x44 s SER 72 N 2.47 6.61 -0.34 3.53 1.04 -1.26 -1.02 113.70 124.72 2x44 s SER 72 Ca 0.03 0.72 -0.01 0.00 0.48 0.00 0.00 55.95 57.18 2x44 s SER 72 Cb -0.13 -2.26 0.13 0.00 0.10 0.00 0.00 66.02 63.86 2x44 s SER 72 CO -0.11 0.00 0.19 -0.94 0.98 0.00 0.00 173.24 173.36 2x44 s SER 73 N 0.67 3.16 1.19 7.02 1.04 -1.12 -4.71 113.70 120.95 2x44 s SER 73 Ca 0.23 -2.03 0.00 0.00 0.48 0.00 0.00 55.95 54.63 2x44 s SER 73 Cb -0.15 -0.45 0.00 0.00 0.10 0.00 0.00 66.02 65.52 2x44 s SER 73 CO 0.09 -0.33 0.00 0.61 0.98 0.00 0.00 173.24 174.58 2x44 n GLY 74 N 4.26 1.98 2.69 7.32 0.00 -1.26 -3.50 105.19 116.67 2x44 n GLY 74 Ca 0.08 -0.44 -0.38 0.00 0.00 0.00 0.00 46.02 45.28 2x44 n GLY 74 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2x44 n ASN 75 N 8.06 7.36 -3.79 1.61 4.13 -1.26 -4.81 115.26 126.57 2x44 n ASN 75 Ca 0.00 -3.57 -0.13 0.00 1.68 0.00 0.00 54.58 52.56 2x44 n ASN 75 Cb 0.00 -1.17 -0.09 0.00 -1.54 0.00 0.00 39.78 36.98 2x44 n ASN 75 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 2x44 s GLN 76 N -3.29 0.62 -0.10 3.52 -0.21 -1.23 -3.14 119.66 115.84 2x44 s GLN 76 Ca 0.50 -0.25 0.02 0.00 0.02 0.00 0.00 55.36 55.65 2x44 s GLN 76 Cb 0.32 0.27 0.01 0.00 1.00 0.00 0.00 33.01 34.61 2x44 s GLN 76 CO -0.25 -0.17 -0.15 0.54 -2.12 0.00 0.00 175.29 173.14 2x44 s VAL 77 N -1.36 1.46 -0.59 1.09 0.11 -0.78 -2.79 120.40 117.54 2x44 s VAL 77 Ca -0.14 -0.64 -0.13 0.00 -2.93 0.00 0.00 61.98 58.15 2x44 s VAL 77 Cb -0.06 -1.32 0.15 0.00 -1.53 0.00 0.00 36.38 33.62 2x44 s VAL 77 CO 0.04 0.43 0.51 0.20 -3.33 0.00 0.00 175.10 172.95 2x44 s ASN 78 N 0.83 6.13 0.17 3.54 -0.87 -0.19 -1.19 114.94 123.36 2x44 s ASN 78 Ca -0.10 -2.09 -0.23 0.00 -1.57 0.00 0.00 52.86 48.87 2x44 s ASN 78 Cb -0.15 -2.13 -0.08 0.00 -0.02 0.00 0.00 41.25 38.86 2x44 s ASN 78 CO 0.01 -0.72 0.73 -0.76 -2.57 0.00 0.00 177.10 173.79 2x44 s LEU 79 N 1.11 4.50 0.10 0.60 2.01 0.14 -2.35 118.68 124.79 2x44 s LEU 79 Ca 0.08 1.51 0.10 0.00 0.01 0.00 0.00 54.13 55.83 2x44 s LEU 79 Cb -0.24 -3.33 -0.04 0.00 0.01 0.00 0.00 46.19 42.60 2x44 s LEU 79 CO -0.01 0.16 -0.26 -0.89 1.01 0.00 0.00 176.35 176.36 2x44 s THR 80 N -1.27 2.18 -0.06 5.49 2.01 0.95 -1.23 115.64 123.71 2x44 s THR 80 Ca 0.37 -1.61 -0.02 0.00 0.31 0.00 0.00 61.69 60.74 2x44 s THR 80 Cb -0.20 -1.91 0.03 0.00 0.01 0.00 0.00 72.50 70.43 2x44 s THR 80 CO 0.23 0.18 0.05 -0.63 -0.69 0.00 0.00 174.62 173.76 2x44 s ILE 81 N -0.97 0.03 0.36 1.82 1.01 0.14 -1.19 121.20 122.40 2x44 s ILE 81 Ca 0.13 0.28 0.08 0.00 0.00 0.00 0.00 60.65 61.14 2x44 s ILE 81 Cb -0.10 -0.30 -0.06 0.00 0.01 0.00 0.00 42.46 42.01 2x44 s ILE 81 CO 0.04 0.15 0.04 0.00 0.00 0.00 0.00 174.94 175.18 2x44 s GLN 82 N 2.11 2.08 0.00 2.79 -2.07 -0.42 -0.44 119.66 123.71 2x44 s GLN 82 Ca 0.05 -1.83 0.00 0.00 -1.82 0.00 0.00 55.36 51.76 2x44 s GLN 82 Cb -0.13 -1.89 0.00 0.00 -1.09 0.00 0.00 33.01 29.91 2x44 s GLN 82 CO -0.04 0.06 0.00 0.41 -1.32 0.00 0.00 175.29 174.40 2x44 n GLY 83 N -1.01 0.47 3.77 2.60 0.00 -1.03 -4.81 105.19 105.17 2x44 n GLY 83 Ca -0.04 -0.43 -0.39 0.00 0.00 0.00 0.00 46.02 45.17 2x44 n GLY 83 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2x44 s LEU 84 N 0.00 4.26 0.30 0.99 2.01 -0.71 -5.04 118.68 120.48 2x44 s LEU 84 Ca 0.00 2.45 0.03 0.00 0.01 0.00 0.00 54.13 56.62 2x44 s LEU 84 Cb 0.00 -3.92 -0.06 0.00 0.01 0.00 0.00 46.19 42.23 2x44 s LEU 84 CO 0.00 -0.65 0.08 -0.13 1.01 0.00 0.00 176.35 176.65 2x44 s ARG 85 N -2.15 1.57 0.23 1.70 0.52 -1.26 -4.50 118.95 115.05 2x44 s ARG 85 Ca 0.55 -1.86 -0.15 0.00 -0.52 0.00 0.00 55.73 53.75 2x44 s ARG 85 Cb -0.33 -0.62 0.27 0.00 0.52 0.00 0.00 34.95 34.79 2x44 s ARG 85 CO 0.43 -0.24 1.58 0.00 0.02 0.00 0.00 175.30 177.09 2x44 h ALA 86 N 2.21 0.31 0.00 2.13 0.00 -2.01 0.24 119.26 122.14 2x44 h ALA 86 Ca -0.40 0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2x44 h ALA 86 Cb 1.25 0.75 0.00 0.00 0.00 0.00 0.00 17.79 19.79 2x44 h ALA 86 CO 0.66 -0.52 0.00 -1.33 0.00 0.00 0.00 179.25 178.05 2x44 n MET 87 N -5.50 0.06 -0.04 0.00 2.81 -1.26 -1.77 117.12 111.43 2x44 n MET 87 Ca 0.09 0.25 0.11 0.00 -1.81 0.00 0.00 57.70 56.34 2x44 n MET 87 Cb 0.40 -1.50 0.48 0.00 -0.71 0.00 0.00 33.22 31.89 2x44 n MET 87 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 2x44 n ASP 88 N -1.43 0.94 -4.78 7.83 8.00 0.85 -4.89 116.55 123.07 2x44 n ASP 88 Ca 0.04 -1.55 -0.41 0.00 0.71 0.00 0.00 54.79 53.59 2x44 n ASP 88 Cb 0.13 -0.05 -0.00 0.00 -0.02 0.00 0.00 41.12 41.17 2x44 n ASP 88 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2x44 s THR 89 N -1.90 2.20 -3.86 -3.53 2.01 -0.73 -4.95 115.64 104.89 2x44 s THR 89 Ca 0.32 0.20 0.00 0.00 0.31 0.00 0.00 61.69 62.51 2x44 s THR 89 Cb 0.16 -3.12 0.00 0.00 0.01 0.00 0.00 72.50 69.55 2x44 s THR 89 CO 0.26 0.05 0.00 0.61 -0.69 0.00 0.00 174.62 174.84 2x44 n GLY 90 N 0.54 -2.19 3.65 4.40 0.00 -1.26 -4.93 105.19 105.40 2x44 n GLY 90 Ca 0.01 -1.22 -0.40 0.00 0.00 0.00 0.00 46.02 44.41 2x44 n GLY 90 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2x44 s LEU 91 N 0.00 4.12 -0.30 0.99 2.96 -0.64 -4.91 118.68 120.90 2x44 s LEU 91 Ca 0.00 0.73 -0.07 0.00 -0.22 0.00 0.00 54.13 54.58 2x44 s LEU 91 Cb 0.00 -2.81 0.01 0.00 0.50 0.00 0.00 46.19 43.89 2x44 s LEU 91 CO 0.00 -0.27 0.08 -0.31 -1.32 0.00 0.00 176.35 174.53 2x44 s TYR 92 N 2.01 3.15 -0.15 5.38 2.02 -1.26 -0.36 117.35 128.14 2x44 s TYR 92 Ca 0.26 -1.02 -0.05 0.00 -0.37 0.00 0.00 57.07 55.89 2x44 s TYR 92 Cb -0.16 -2.25 -0.03 0.00 -0.40 0.00 0.00 41.96 39.12 2x44 s TYR 92 CO 0.10 -0.59 0.01 0.42 -1.57 0.00 0.00 175.55 173.91 2x44 s ILE 93 N 1.49 4.31 -0.15 2.71 1.01 1.00 -4.93 121.20 126.64 2x44 s ILE 93 Ca 0.02 -0.22 -0.24 0.00 0.00 0.00 0.00 60.65 60.22 2x44 s ILE 93 Cb -0.17 -2.89 -0.02 0.00 0.01 0.00 0.00 42.46 39.38 2x44 s ILE 93 CO 0.02 0.51 0.77 0.00 0.00 0.00 0.00 174.94 176.24 2x44 s LYS 95 N 1.81 3.27 -0.14 0.00 2.20 0.69 -5.00 119.74 122.57 2x44 s LYS 95 Ca 0.36 -0.68 0.02 0.00 -0.36 0.00 0.00 55.97 55.31 2x44 s LYS 95 Cb -0.17 -2.87 0.01 0.00 -1.51 0.00 0.00 37.83 33.30 2x44 s LYS 95 CO 0.13 -0.18 -0.19 0.08 -0.36 0.00 0.00 175.35 174.84 2x44 s VAL 96 N 1.37 1.83 -0.16 4.02 1.01 -1.26 -0.08 120.40 127.13 2x44 s VAL 96 Ca 0.05 -0.83 -0.03 0.00 0.00 0.00 0.00 61.98 61.17 2x44 s VAL 96 Cb -0.14 -1.65 -0.02 0.00 0.00 0.00 0.00 36.38 34.57 2x44 s VAL 96 CO -0.06 0.50 -0.06 -1.61 0.00 0.00 0.00 175.10 173.88 2x44 s GLU 97 N 1.04 3.55 -0.10 2.72 2.02 0.88 -4.98 118.70 123.82 2x44 s GLU 97 Ca -0.03 -0.58 0.01 0.00 0.02 0.00 0.00 54.97 54.38 2x44 s GLU 97 Cb -0.15 -2.86 -0.02 0.00 0.10 0.00 0.00 34.13 31.20 2x44 s GLU 97 CO -0.05 0.15 -0.12 -0.51 0.02 0.00 0.00 175.26 174.75 2x44 s LEU 98 N 0.57 2.79 -0.05 1.80 1.02 -1.26 -0.09 118.68 123.46 2x44 s LEU 98 Ca -0.04 -0.25 0.04 0.00 0.02 0.00 0.00 54.13 53.90 2x44 s LEU 98 Cb -0.15 -1.61 -0.00 0.00 0.02 0.00 0.00 46.19 44.45 2x44 s LEU 98 CO 0.03 0.23 -0.17 -0.04 0.02 0.00 0.00 176.35 176.42 2x44 s MET 99 N -0.06 1.84 0.27 1.70 -1.94 -0.80 -5.01 119.30 115.31 2x44 s MET 99 Ca -0.02 -0.62 0.10 0.00 -1.71 0.00 0.00 55.69 53.43 2x44 s MET 99 Cb -0.14 -1.59 -0.05 0.00 2.01 0.00 0.00 34.83 35.06 2x44 s MET 99 CO 0.04 0.24 -0.14 0.71 -0.01 0.00 0.00 175.02 175.85 2x44 s TYR 100 N 0.06 2.12 0.63 -0.03 2.02 -1.26 -1.20 117.35 119.68 2x44 s TYR 100 Ca -0.05 -0.48 -0.15 0.00 -0.37 0.00 0.00 57.07 56.03 2x44 s TYR 100 Cb -0.12 -1.04 -0.02 0.00 -0.40 0.00 0.00 41.96 40.38 2x44 s TYR 100 CO 0.02 0.54 1.07 -1.25 -1.57 0.00 0.00 175.55 174.36 2x44 s PRO 101 N -3.60 3.14 0.06 -1.71 0.05 -1.26 -4.94 135.00 126.75 2x44 s PRO 101 Ca 0.29 1.19 -0.31 0.00 0.05 0.00 0.00 61.00 62.22 2x44 s PRO 101 Cb -0.01 -2.01 -0.07 0.00 0.05 0.00 0.00 34.50 32.46 2x44 s PRO 101 CO 0.13 -0.95 1.46 -2.14 0.05 0.00 0.00 177.00 175.55 2x44 s PRO 102 N -4.27 4.27 0.53 0.56 0.02 -1.26 -4.97 135.00 129.87 2x44 s PRO 102 Ca 0.63 2.10 -0.22 0.00 0.02 0.00 0.00 61.00 63.53 2x44 s PRO 102 Cb -0.16 -3.46 -0.05 0.00 0.02 0.00 0.00 34.50 30.85 2x44 s PRO 102 CO 0.41 -0.57 1.32 -2.14 -0.33 0.00 0.00 177.00 175.69 2x44 s PRO 103 N 1.99 3.27 -0.14 5.54 0.02 -1.26 -5.02 135.00 139.40 2x44 s PRO 103 Ca 0.67 2.14 -0.06 0.00 0.02 0.00 0.00 61.00 63.77 2x44 s PRO 103 Cb -0.36 -2.29 0.07 0.00 0.02 0.00 0.00 34.50 31.94 2x44 s PRO 103 CO 0.29 -1.06 0.31 -0.47 -0.33 0.00 0.00 177.00 175.74 2x44 s TYR 104 N -1.35 -0.50 -0.10 6.54 5.04 -1.26 -5.15 117.35 120.57 2x44 s TYR 104 Ca 0.70 1.08 0.02 0.00 -2.44 0.00 0.00 57.07 56.43 2x44 s TYR 104 Cb -0.38 0.08 -0.01 0.00 0.35 0.00 0.00 41.96 42.00 2x44 s TYR 104 CO 0.45 -0.35 -0.19 0.71 -1.34 0.00 0.00 175.55 174.83 2x44 s TYR 105 N 2.11 2.66 -0.15 4.97 2.02 -1.26 -5.11 117.35 122.59 2x44 s TYR 105 Ca -0.03 -0.76 -0.01 0.00 -0.37 0.00 0.00 57.07 55.90 2x44 s TYR 105 Cb -0.11 -1.75 -0.02 0.00 -0.40 0.00 0.00 41.96 39.68 2x44 s TYR 105 CO -0.10 -0.26 -0.10 -1.17 -1.57 0.00 0.00 175.55 172.36 2x44 s LEU 106 N 0.19 2.85 -0.08 -1.29 0.20 -1.26 -5.11 118.68 114.19 2x44 s LEU 106 Ca -0.11 -0.30 0.05 0.00 0.69 0.00 0.00 54.13 54.46 2x44 s LEU 106 Cb -0.16 -1.67 -0.00 0.00 -0.43 0.00 0.00 46.19 43.93 2x44 s LEU 106 CO 0.06 0.14 -0.23 -0.83 -0.29 0.00 0.00 176.35 175.20 2x44 s GLY 107 N 0.53 1.26 -0.16 7.98 0.00 -1.26 -5.12 107.32 110.55 2x44 s GLY 107 Ca -0.07 -0.95 0.01 0.00 0.00 0.00 0.00 44.72 43.71 2x44 s GLY 107 CO 0.04 -0.43 -0.18 -0.42 0.00 0.00 0.00 173.10 172.11 2x44 s ILE 108 N 0.15 1.87 0.66 0.90 1.01 -1.26 -5.12 121.20 119.40 2x44 s ILE 108 Ca -0.12 -0.83 -0.11 0.00 0.00 0.00 0.00 60.65 59.59 2x44 s ILE 108 Cb -0.16 -1.70 -0.01 0.00 0.01 0.00 0.00 42.46 40.60 2x44 s ILE 108 CO 0.06 0.51 1.06 -0.83 0.00 0.00 0.00 174.94 175.74 2x44 s GLY 109 N 1.29 1.65 0.48 6.18 0.00 -1.26 -4.97 107.32 110.68 2x44 s GLY 109 Ca 0.03 -0.17 0.28 0.00 0.00 0.00 0.00 44.72 44.86 2x44 s GLY 109 CO -0.11 0.14 1.80 3.43 0.00 0.00 0.00 173.10 178.36 2x44 h ASN 110 N -0.49 0.00 -5.00 1.64 4.21 -2.09 -3.49 115.58 110.37 2x44 h ASN 110 Ca -0.44 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.07 2x44 h ASN 110 Cb 1.22 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.42 2x44 h ASN 110 CO 0.62 0.00 0.00 0.61 -1.29 0.00 0.00 177.43 177.37 2x44 n GLY 111 N 0.57 2.80 3.15 2.83 0.00 -1.26 -5.02 105.19 108.27 2x44 n GLY 111 Ca 0.02 -1.80 -0.34 0.00 0.00 0.00 0.00 46.02 43.91 2x44 n GLY 111 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2x44 s THR 112 N -2.26 2.53 -0.28 2.61 2.01 -1.26 -5.08 115.64 113.91 2x44 s THR 112 Ca 0.00 -1.16 -0.29 0.00 0.31 0.00 0.00 61.69 60.56 2x44 s THR 112 Cb 0.00 -2.29 -0.01 0.00 0.01 0.00 0.00 72.50 70.21 2x44 s THR 112 CO 0.00 0.22 1.50 -1.58 -0.69 0.00 0.00 174.62 174.06 2x44 s GLN 113 N 1.26 3.76 -0.27 4.92 2.00 -1.26 -4.98 119.66 125.10 2x44 s GLN 113 Ca -0.01 1.40 -0.10 0.00 -2.00 0.00 0.00 55.36 54.65 2x44 s GLN 113 Cb -0.17 -4.00 -0.05 0.00 0.80 0.00 0.00 33.01 29.60 2x44 s GLN 113 CO -0.06 -1.32 0.17 0.42 -0.50 0.00 0.00 175.29 173.99 2x44 s ILE 114 N 5.10 5.20 -0.21 -2.34 1.01 -1.26 -5.07 121.20 123.62 2x44 s ILE 114 Ca 0.66 0.13 -0.08 0.00 0.00 0.00 0.00 60.65 61.36 2x44 s ILE 114 Cb -0.20 -3.46 -0.04 0.00 0.01 0.00 0.00 42.46 38.76 2x44 s ILE 114 CO 0.28 0.28 0.08 -0.31 0.00 0.00 0.00 174.94 175.27 2x44 s TYR 115 N 1.62 3.21 -0.12 3.97 2.02 -1.26 -5.10 117.35 121.69 2x44 s TYR 115 Ca 0.07 -0.04 0.01 0.00 -0.37 0.00 0.00 57.07 56.74 2x44 s TYR 115 Cb -0.15 -2.16 -0.01 0.00 -0.40 0.00 0.00 41.96 39.24 2x44 s TYR 115 CO 0.09 -0.01 -0.16 0.08 -1.57 0.00 0.00 175.55 173.98 2x44 s VAL 116 N 0.86 2.80 0.07 0.71 1.01 -1.26 -5.10 120.40 119.49 2x44 s VAL 116 Ca 0.04 -0.75 -0.30 0.00 0.00 0.00 0.00 61.98 60.97 2x44 s VAL 116 Cb -0.14 -2.16 -0.06 0.00 0.00 0.00 0.00 36.38 34.03 2x44 s VAL 116 CO 0.03 0.53 1.18 -0.63 0.00 0.00 0.00 175.10 176.21 2x44 s ILE 117 N 0.38 4.04 -0.47 2.22 1.01 -1.26 -5.01 121.20 122.10 2x44 s ILE 117 Ca -0.12 1.49 -0.24 0.00 0.00 0.00 0.00 60.65 61.78 2x44 s ILE 117 Cb -0.16 -3.95 0.03 0.00 0.01 0.00 0.00 42.46 38.38 2x44 s ILE 117 CO 0.06 0.13 0.84 -0.62 0.00 0.00 0.00 174.94 175.35 2x44 s ASP 118 N 0.96 6.41 0.00 3.58 2.15 -1.26 -5.05 116.67 123.45 2x44 s ASP 118 Ca 0.58 -0.15 0.00 0.00 0.43 0.00 0.00 52.55 53.41 2x44 s ASP 118 Cb -0.29 -2.40 0.00 0.00 -0.30 0.00 0.00 42.92 39.92 2x44 s ASP 118 CO 0.30 -1.00 0.00 -0.81 -0.17 0.00 0.00 175.17 173.48 2x44 n PRO 119 N 6.93 2.47 0.00 4.34 -0.04 -1.26 -5.37 135.00 142.07 2x44 n PRO 119 Ca 0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.49 2x44 n PRO 119 Cb 0.48 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.94 2x44 n PRO 119 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85