#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s1h s ASN 9 N 0.00 4.67 0.27 1.67 0.01 -1.26 -5.04 114.94 115.25 1s1h s ASN 9 Ca 0.00 -1.39 -0.29 0.00 -0.71 0.00 0.00 52.86 50.47 1s1h s ASN 9 Cb 0.00 -1.63 -0.14 0.00 0.41 0.00 0.00 41.25 39.89 1s1h s ASN 9 CO 0.00 -0.24 1.02 -1.20 -1.51 0.00 0.00 177.10 175.17 1s1h n SER 10 N 4.51 1.23 0.03 -1.22 7.64 -1.21 -4.92 113.62 119.68 1s1h n SER 10 Ca -0.13 1.17 -0.01 0.00 1.01 0.00 0.00 58.87 60.91 1s1h n SER 10 Cb 0.43 -1.27 -0.00 0.00 -1.01 0.00 0.00 64.21 62.35 1s1h n SER 10 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1s1h n GLN 11 N 0.91 0.07 0.00 1.43 6.02 -0.48 -4.99 117.38 120.34 1s1h n GLN 11 Ca 0.11 0.03 0.00 0.00 -0.01 0.00 0.00 57.00 57.13 1s1h n GLN 11 Cb 0.31 -0.63 0.00 0.00 1.02 0.00 0.00 30.24 30.94 1s1h n GLN 11 CO 0.00 0.00 0.00 1.55 -1.01 0.00 0.00 177.06 177.60 1s1h n VAL 12 N -3.62 0.00 -4.87 5.09 3.14 -0.97 -4.93 118.33 112.18 1s1h n VAL 12 Ca -0.02 0.00 -0.33 0.00 -2.96 0.00 0.00 64.34 61.03 1s1h n VAL 12 Cb 0.09 0.00 -0.14 0.00 -1.06 0.00 0.00 33.84 32.73 1s1h n VAL 12 CO 0.00 0.00 0.00 0.12 -6.46 0.00 0.00 176.83 170.49 1s1h s PHE 13 N 0.00 2.73 0.00 1.45 5.36 -1.26 0.82 117.98 127.08 1s1h s PHE 13 Ca 0.00 -0.34 0.00 0.00 -0.96 0.00 0.00 56.93 55.63 1s1h s PHE 13 Cb 0.00 -1.70 0.00 0.00 -0.34 0.00 0.00 43.02 40.98 1s1h s PHE 13 CO 0.00 0.04 0.00 0.41 -1.46 0.00 0.00 175.22 174.21 1s1h n GLY 14 N 2.73 1.59 3.42 13.12 0.00 -0.43 -3.75 105.19 121.87 1s1h n GLY 14 Ca -0.17 -0.83 -0.29 0.00 0.00 0.00 0.00 46.02 44.72 1s1h n GLY 14 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s1h s VAL 15 N -2.58 2.42 -0.09 1.61 1.01 0.17 -0.97 120.40 121.97 1s1h s VAL 15 Ca 0.00 -1.70 0.01 0.00 0.00 0.00 0.00 61.98 60.29 1s1h s VAL 15 Cb 0.00 -2.09 0.02 0.00 0.00 0.00 0.00 36.38 34.31 1s1h s VAL 15 CO 0.00 0.09 -0.11 0.00 0.00 0.00 0.00 175.10 175.08 1s1h s ALA 16 N -1.10 1.37 -0.20 5.51 0.00 0.18 0.99 121.76 128.51 1s1h s ALA 16 Ca 0.15 -0.53 -0.06 0.00 0.00 0.00 0.00 51.96 51.53 1s1h s ALA 16 Cb -0.10 -0.76 -0.03 0.00 0.00 0.00 0.00 23.12 22.24 1s1h s ALA 16 CO 0.07 -0.14 0.02 1.03 0.00 0.00 0.00 175.76 176.74 1s1h s ARG 17 N 1.14 3.67 -0.29 0.00 0.52 0.40 -0.19 118.95 124.18 1s1h s ARG 17 Ca -0.05 -0.49 -0.08 0.00 -0.52 0.00 0.00 55.73 54.58 1s1h s ARG 17 Cb -0.14 -3.13 -0.01 0.00 0.52 0.00 0.00 34.95 32.19 1s1h s ARG 17 CO -0.02 0.02 0.11 0.42 0.02 0.00 0.00 175.30 175.85 1s1h s ILE 18 N 1.01 4.32 -0.38 1.52 -1.09 0.16 -1.45 121.20 125.28 1s1h s ILE 18 Ca 0.02 -0.47 0.00 0.00 -2.23 0.00 0.00 60.65 57.97 1s1h s ILE 18 Cb -0.14 -3.18 0.11 0.00 -1.58 0.00 0.00 42.46 37.66 1s1h s ILE 18 CO 0.02 0.12 0.14 -0.47 -1.23 0.00 0.00 174.94 173.52 1s1h s TYR 19 N 1.57 3.66 0.47 3.97 6.14 -0.64 -0.29 117.35 132.23 1s1h s TYR 19 Ca 0.04 -2.67 -0.08 0.00 0.64 0.00 0.00 57.07 55.01 1s1h s TYR 19 Cb -0.17 -3.10 -0.05 0.00 0.42 0.00 0.00 41.96 39.06 1s1h s TYR 19 CO 0.04 -0.96 0.80 0.00 0.64 0.00 0.00 175.55 176.07 1s1h s ALA 20 N 1.02 3.35 0.16 3.97 0.00 -0.61 -2.53 121.76 127.13 1s1h s ALA 20 Ca 0.09 -0.36 -0.24 0.00 0.00 0.00 0.00 51.96 51.46 1s1h s ALA 20 Cb -0.21 -2.68 0.06 0.00 0.00 0.00 0.00 23.12 20.29 1s1h s ALA 20 CO -0.06 -0.26 0.74 -1.54 0.00 0.00 0.00 175.76 174.64 1s1h s SER 21 N -3.78 -0.38 0.40 0.00 1.04 -0.88 -4.14 113.70 105.96 1s1h s SER 21 Ca 0.49 -0.24 0.16 0.00 0.48 0.00 0.00 55.95 56.84 1s1h s SER 21 Cb -0.10 0.58 0.85 0.00 0.10 0.00 0.00 66.02 67.45 1s1h s SER 21 CO 0.41 -1.00 1.87 -0.26 0.98 0.00 0.00 173.24 175.23 1s1h h PHE 22 N 2.00 0.00 0.01 5.02 -1.00 -1.90 -3.03 116.94 118.05 1s1h h PHE 22 Ca -0.26 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.48 1s1h h PHE 22 Cb 1.27 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.83 1s1h h PHE 22 CO 0.32 0.32 -0.15 -0.91 -1.61 0.00 0.00 178.31 176.27 1s1h h ASN 23 N 0.00 0.11 -5.04 2.17 2.35 -1.94 -3.43 115.58 109.80 1s1h h ASN 23 Ca -0.00 -0.86 0.08 0.00 -0.55 0.00 0.00 56.30 54.96 1s1h h ASN 23 Cb 0.60 -0.03 -0.08 0.00 0.05 0.00 0.00 38.32 38.86 1s1h h ASN 23 CO 0.04 0.96 0.30 -0.62 -1.65 0.00 0.00 177.43 176.46 1s1h s ASP 24 N -6.25 -0.32 -0.04 5.81 2.15 -1.20 0.22 116.67 117.04 1s1h s ASP 24 Ca -0.17 -0.39 0.06 0.00 0.43 0.00 0.00 52.55 52.47 1s1h s ASP 24 Cb -0.01 0.63 -0.01 0.00 -0.30 0.00 0.00 42.92 43.23 1s1h s ASP 24 CO 0.72 -1.13 -0.22 0.42 -0.17 0.00 0.00 175.17 174.79 1s1h s THR 25 N -3.70 1.78 -0.08 1.71 -4.23 -1.18 -2.08 115.64 107.87 1s1h s THR 25 Ca 0.09 -0.92 0.00 0.00 -1.18 0.00 0.00 61.69 59.67 1s1h s THR 25 Cb -0.04 -1.51 0.02 0.00 1.34 0.00 0.00 72.50 72.32 1s1h s THR 25 CO 0.01 0.50 -0.05 0.12 -0.54 0.00 0.00 174.62 174.66 1s1h s PHE 26 N -0.17 1.02 -0.05 3.99 5.36 -1.05 -2.64 117.98 124.43 1s1h s PHE 26 Ca -0.01 -0.39 0.06 0.00 -0.96 0.00 0.00 56.93 55.63 1s1h s PHE 26 Cb -0.12 -0.92 -0.01 0.00 -0.34 0.00 0.00 43.02 41.63 1s1h s PHE 26 CO 0.02 -0.34 -0.23 0.54 -1.46 0.00 0.00 175.22 173.75 1s1h s VAL 27 N 1.44 2.24 -0.03 3.12 0.11 -0.08 -1.62 120.40 125.57 1s1h s VAL 27 Ca -0.02 -1.01 0.03 0.00 -2.93 0.00 0.00 61.98 58.05 1s1h s VAL 27 Cb -0.13 -1.82 0.00 0.00 -1.53 0.00 0.00 36.38 32.90 1s1h s VAL 27 CO -0.04 0.57 -0.12 -1.38 -3.33 0.00 0.00 175.10 170.80 1s1h s HIS 28 N -0.29 1.26 0.04 1.54 -3.43 -0.53 -0.47 115.29 113.41 1s1h s HIS 28 Ca 0.01 -0.34 -0.01 0.00 -0.80 0.00 0.00 55.06 53.92 1s1h s HIS 28 Cb -0.13 -0.88 -0.04 0.00 -1.43 0.00 0.00 32.58 30.11 1s1h s HIS 28 CO 0.02 -0.13 0.20 0.08 -2.00 0.00 0.00 174.74 172.91 1s1h s VAL 29 N 0.16 5.38 0.24 -5.38 1.01 -0.24 -0.46 120.40 121.11 1s1h s VAL 29 Ca -0.04 -0.34 0.01 0.00 0.00 0.00 0.00 61.98 61.62 1s1h s VAL 29 Cb -0.10 -3.59 -0.04 0.00 0.00 0.00 0.00 36.38 32.65 1s1h s VAL 29 CO 0.01 0.19 0.17 0.28 0.00 0.00 0.00 175.10 175.75 1s1h s THR 30 N -1.46 0.01 0.86 3.92 -1.32 0.28 -0.26 115.64 117.67 1s1h s THR 30 Ca 0.33 -2.00 -0.12 0.00 -1.21 0.00 0.00 61.69 58.69 1s1h s THR 30 Cb -0.13 -2.50 0.14 0.00 -1.51 0.00 0.00 72.50 68.50 1s1h s THR 30 CO 0.25 0.00 1.21 -1.81 -2.21 0.00 0.00 174.62 172.06 1s1h s ASP 31 N -3.22 3.84 0.53 8.08 1.11 -0.80 -0.66 116.67 125.55 1s1h s ASP 31 Ca 0.39 0.36 0.18 0.00 0.18 0.00 0.00 52.55 53.66 1s1h s ASP 31 Cb 0.06 -0.63 1.33 0.00 1.07 0.00 0.00 42.92 44.74 1s1h s ASP 31 CO 0.17 -2.27 2.16 0.17 1.18 0.00 0.00 175.17 176.57 1s1h h LEU 32 N -1.23 0.00 -0.73 1.23 -0.00 -1.90 -1.12 115.31 111.57 1s1h h LEU 32 Ca -0.44 0.00 -0.14 0.00 -0.00 0.00 0.00 57.88 57.30 1s1h h LEU 32 Cb 1.27 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.92 1s1h h LEU 32 CO 0.48 0.00 -0.57 0.77 -0.00 0.00 0.00 178.44 179.12 1s1h h SER 33 N 0.00 0.21 0.00 0.17 4.64 -1.92 -3.48 113.55 113.17 1s1h h SER 33 Ca 0.01 -0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.21 1s1h h SER 33 Cb 0.04 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 1s1h h SER 33 CO -0.00 0.74 0.00 0.61 -0.87 0.00 0.00 176.83 177.31 1s1h n GLY 34 N 0.18 1.76 3.70 -0.77 0.00 -0.42 -5.08 105.19 104.56 1s1h n GLY 34 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 1s1h n GLY 34 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1s1h s LYS 35 N -0.25 4.45 0.07 1.61 2.20 -1.26 -4.72 119.74 121.85 1s1h s LYS 35 Ca 0.00 1.52 -0.31 0.00 -0.36 0.00 0.00 55.97 56.83 1s1h s LYS 35 Cb 0.00 -3.49 -0.06 0.00 -1.51 0.00 0.00 37.83 32.77 1s1h s LYS 35 CO 0.00 -0.25 1.24 -1.21 -0.36 0.00 0.00 175.35 174.77 1s1h s GLU 36 N 1.58 4.41 -0.08 4.03 2.02 -1.26 -1.90 118.70 127.50 1s1h s GLU 36 Ca 0.53 1.84 -0.18 0.00 0.02 0.00 0.00 54.97 57.17 1s1h s GLU 36 Cb -0.22 -3.32 -0.14 0.00 0.10 0.00 0.00 34.13 30.54 1s1h s GLU 36 CO 0.24 -0.29 0.66 1.15 0.02 0.00 0.00 175.26 177.04 1s1h h THR 37 N 4.44 0.85 -3.31 3.63 2.02 -0.94 -3.48 112.91 116.11 1s1h h THR 37 Ca -0.42 -1.35 -0.00 0.00 0.77 0.00 0.00 66.41 65.42 1s1h h THR 37 Cb 1.21 1.50 -0.07 0.00 -1.74 0.00 0.00 68.15 69.06 1s1h h THR 37 CO 0.82 0.25 0.07 -0.51 0.37 0.00 0.00 175.52 176.52 1s1h s ILE 38 N -2.77 0.00 0.01 3.11 2.07 -1.21 -5.03 121.20 117.38 1s1h s ILE 38 Ca -0.11 -1.19 -0.15 0.00 -1.41 0.00 0.00 60.65 57.78 1s1h s ILE 38 Cb -0.00 -2.16 0.03 0.00 0.13 0.00 0.00 42.46 40.45 1s1h s ILE 38 CO 0.42 0.00 0.34 0.00 -1.91 0.00 0.00 174.94 173.78 1s1h s ALA 39 N -3.84 -0.81 0.20 1.50 0.00 -1.26 -1.07 121.76 116.47 1s1h s ALA 39 Ca 0.17 0.24 -0.01 0.00 0.00 0.00 0.00 51.96 52.36 1s1h s ALA 39 Cb -0.03 0.20 -0.04 0.00 0.00 0.00 0.00 23.12 23.24 1s1h s ALA 39 CO 0.09 -0.35 0.13 0.50 0.00 0.00 0.00 175.76 176.13 1s1h s ARG 40 N -1.92 1.19 0.29 0.00 6.06 0.38 -4.91 118.95 120.03 1s1h s ARG 40 Ca -0.09 -1.61 -0.12 0.00 -2.50 0.00 0.00 55.73 51.40 1s1h s ARG 40 Cb -0.03 0.27 0.05 0.00 0.06 0.00 0.00 34.95 35.30 1s1h s ARG 40 CO 0.01 -0.39 0.64 1.33 -2.50 0.00 0.00 175.30 174.39 1s1h n VAL 41 N -0.26 0.00 0.12 7.11 0.24 -1.26 -0.91 118.33 123.37 1s1h n VAL 41 Ca 0.02 -0.73 -0.01 0.00 -2.04 0.00 0.00 64.34 61.58 1s1h n VAL 41 Cb 0.66 0.75 0.08 0.00 -1.47 0.00 0.00 33.84 33.85 1s1h n VAL 41 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 1s1h h THR 42 N 1.77 1.34 -0.43 3.34 2.02 -1.74 -3.01 112.91 116.19 1s1h h THR 42 Ca -0.26 -2.47 -0.10 0.00 0.77 0.00 0.00 66.41 64.35 1s1h h THR 42 Cb 0.96 2.39 -0.02 0.00 -1.74 0.00 0.00 68.15 69.74 1s1h h THR 42 CO 0.32 0.67 -0.14 1.23 0.37 0.00 0.00 175.52 177.97 1s1h h GLY 43 N 2.55 0.87 0.78 2.16 0.00 -1.88 -3.08 103.07 104.48 1s1h h GLY 43 Ca -0.01 -0.69 0.05 0.00 0.00 0.00 0.00 47.33 46.68 1s1h h GLY 43 CO 0.09 0.63 0.44 -1.33 0.00 0.00 0.00 176.54 176.37 1s1h h GLY 44 N 0.97 1.06 -1.90 4.60 0.00 -1.87 -3.38 103.07 102.55 1s1h h GLY 44 Ca 0.11 -0.32 -0.47 0.00 0.00 0.00 0.00 47.33 46.65 1s1h h GLY 44 CO 0.04 0.24 0.33 -0.29 0.00 0.00 0.00 176.54 176.86 1s1h s MET 45 N -6.10 3.94 -0.89 4.80 1.75 -1.16 -4.89 119.30 116.75 1s1h s MET 45 Ca -0.13 0.89 -0.25 0.00 -1.25 0.00 0.00 55.69 54.96 1s1h s MET 45 Cb 0.16 -2.18 0.00 0.00 2.84 0.00 0.00 34.83 35.65 1s1h s MET 45 CO 0.77 -0.21 1.65 0.15 -0.65 0.00 0.00 175.02 176.73 1s1h s LYS 46 N -3.96 3.06 -0.02 4.11 3.01 -1.26 -4.82 119.74 119.86 1s1h s LYS 46 Ca 0.58 -0.50 -0.06 0.00 -1.01 0.00 0.00 55.97 54.98 1s1h s LYS 46 Cb -0.10 -4.97 0.01 0.00 -1.01 0.00 0.00 37.83 31.76 1s1h s LYS 46 CO 0.30 -2.67 0.14 0.08 0.51 0.00 0.00 175.35 173.71 1s1h s VAL 47 N 7.36 0.05 0.86 3.17 1.01 -1.24 -5.08 120.40 126.53 1s1h s VAL 47 Ca 0.55 -0.40 -0.08 0.00 0.00 0.00 0.00 61.98 62.06 1s1h s VAL 47 Cb -0.05 -0.34 0.18 0.00 0.00 0.00 0.00 36.38 36.17 1s1h s VAL 47 CO 0.00 -0.22 1.17 -0.54 0.00 0.00 0.00 175.10 175.52 1s1h s LYS 48 N -0.75 1.01 0.09 2.72 -0.14 -1.26 -4.47 119.74 116.95 1s1h s LYS 48 Ca -0.08 -0.90 -0.30 0.00 -1.36 0.00 0.00 55.97 53.32 1s1h s LYS 48 Cb -0.05 -2.10 -0.14 0.00 -1.68 0.00 0.00 37.83 33.87 1s1h s LYS 48 CO 0.01 -2.02 1.63 0.00 -0.76 0.00 0.00 175.35 174.20 1s1h h ALA 49 N -1.13 -0.69 0.37 5.17 0.00 -1.97 0.78 119.26 121.80 1s1h h ALA 49 Ca -0.39 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.39 1s1h h ALA 49 Cb 1.24 0.43 0.00 0.00 0.00 0.00 0.00 17.79 19.46 1s1h h ALA 49 CO 0.35 -0.92 -0.18 0.38 0.00 0.00 0.00 179.25 178.89 1s1h h ASP 50 N -0.68 -0.42 -0.23 0.00 2.03 -1.95 -1.96 116.42 113.20 1s1h h ASP 50 Ca -0.03 -0.14 -0.12 0.00 -0.73 0.00 0.00 57.03 56.02 1s1h h ASP 50 Cb 0.60 0.11 -0.00 0.00 -0.83 0.00 0.00 39.33 39.21 1s1h h ASP 50 CO -0.03 -0.01 -0.31 -0.09 -1.03 0.00 0.00 179.24 177.78 1s1h h ARG 51 N -0.94 0.61 0.05 4.15 9.65 -1.95 -3.08 114.38 122.88 1s1h h ARG 51 Ca -0.05 -0.35 -0.00 0.00 -1.10 0.00 0.00 59.98 58.47 1s1h h ARG 51 Cb 0.54 0.03 0.00 0.00 -1.39 0.00 0.00 29.97 29.14 1s1h h ARG 51 CO 0.08 0.96 -0.02 0.38 2.80 0.00 0.00 179.97 184.17 1s1h h ASP 52 N 0.31 -0.06 0.79 -3.80 3.04 0.49 -2.75 116.42 114.44 1s1h h ASP 52 Ca 0.03 -0.12 -0.04 0.00 -3.24 0.00 0.00 57.03 53.66 1s1h h ASP 52 Cb 0.88 0.02 0.00 0.00 -1.04 0.00 0.00 39.33 39.19 1s1h h ASP 52 CO 0.07 0.09 -0.41 -0.33 -2.04 0.00 0.00 179.24 176.62 1s1h h GLU 53 N -0.20 -1.06 0.02 4.15 5.08 -1.26 -3.25 114.58 118.05 1s1h h GLU 53 Ca -0.01 0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1s1h h GLU 53 Cb 0.18 0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.67 1s1h h GLU 53 CO 0.01 -0.71 -0.01 0.66 -1.00 0.00 0.00 179.01 177.97 1s1h h SER 54 N -1.10 -0.02 -0.30 1.42 4.64 -0.18 -3.12 113.55 114.90 1s1h h SER 54 Ca -0.11 -0.56 -0.23 0.00 -0.47 0.00 0.00 61.79 60.43 1s1h h SER 54 Cb 0.86 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.97 1s1h h SER 54 CO 0.15 0.75 -0.00 -0.24 -0.87 0.00 0.00 176.83 176.62 1s1h n SER 55 N -4.71 -0.04 0.26 4.97 2.88 -1.04 -4.31 113.62 111.63 1s1h n SER 55 Ca -0.06 0.34 0.10 0.00 -1.33 0.00 0.00 58.87 57.93 1s1h n SER 55 Cb 0.28 -0.27 0.72 0.00 -0.75 0.00 0.00 64.21 64.18 1s1h n SER 55 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1s1h h PRO 56 N 0.82 0.00 -0.34 -1.46 0.13 -1.87 0.35 132.00 129.64 1s1h h PRO 56 Ca -0.14 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.98 1s1h h PRO 56 Cb 0.42 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.54 1s1h h PRO 56 CO 0.19 0.00 0.18 -0.92 -0.23 0.00 0.00 178.00 177.22 1s1h h TYR 57 N 0.00 0.46 -0.45 1.56 5.03 -1.94 0.31 116.97 121.95 1s1h h TYR 57 Ca 0.01 -0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.30 1s1h h TYR 57 Cb 0.05 -0.15 -0.02 0.00 1.55 0.00 0.00 36.73 38.16 1s1h h TYR 57 CO 0.00 0.37 0.24 0.00 -1.32 0.00 0.00 178.16 177.45 1s1h h ALA 58 N 1.05 0.58 -0.98 1.82 0.00 -0.64 0.23 119.26 121.32 1s1h h ALA 58 Ca 0.12 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 54.98 1s1h h ALA 58 Cb 0.06 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 17.61 1s1h h ALA 58 CO -0.02 0.11 0.63 0.00 0.00 0.00 0.00 179.25 179.97 1s1h h ALA 59 N 1.09 1.31 -0.07 0.00 0.00 -0.21 0.40 119.26 121.79 1s1h h ALA 59 Ca 0.16 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1s1h h ALA 59 Cb 0.06 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 1s1h h ALA 59 CO -0.02 0.49 0.03 1.98 0.00 0.00 0.00 179.25 181.73 1s1h h MET 60 N 1.21 0.09 -0.51 0.00 -1.53 0.13 0.15 114.93 114.47 1s1h h MET 60 Ca 0.40 -0.01 -0.00 0.00 -3.44 0.00 0.00 59.70 56.64 1s1h h MET 60 Cb 0.04 -0.02 -0.02 0.00 -0.55 0.00 0.00 31.60 31.05 1s1h h MET 60 CO -0.14 0.17 0.31 -0.07 0.14 0.00 0.00 176.91 177.32 1s1h h LEU 61 N -0.01 0.62 -1.02 3.39 3.38 0.11 -0.92 115.31 120.87 1s1h h LEU 61 Ca 0.02 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 1s1h h LEU 61 Cb 0.11 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.66 1s1h h LEU 61 CO -0.00 0.50 0.45 0.00 0.09 0.00 0.00 178.44 179.48 1s1h h ALA 62 N 1.15 1.25 -0.29 1.53 0.00 0.02 0.61 119.26 123.53 1s1h h ALA 62 Ca 0.18 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1s1h h ALA 62 Cb -0.01 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 1s1h h ALA 62 CO -0.03 0.61 0.15 0.00 0.00 0.00 0.00 179.25 179.98 1s1h h ALA 63 N 1.35 0.38 -0.43 0.00 0.00 0.59 -0.33 119.26 120.81 1s1h h ALA 63 Ca 0.29 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 1s1h h ALA 63 Cb 0.02 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1s1h h ALA 63 CO -0.05 -0.08 0.13 1.96 0.00 0.00 0.00 179.25 181.21 1s1h h GLN 64 N 0.35 0.68 -0.94 0.00 4.20 -0.44 -0.73 115.11 118.22 1s1h h GLN 64 Ca 0.10 -0.15 0.03 0.00 0.06 0.00 0.00 58.65 58.69 1s1h h GLN 64 Cb 0.09 -0.10 -0.05 0.00 0.30 0.00 0.00 27.48 27.72 1s1h h GLN 64 CO -0.01 0.67 0.62 0.22 -0.67 0.00 0.00 178.83 179.66 1s1h h ASP 65 N 0.56 1.03 -0.38 1.46 3.58 -0.65 0.48 116.42 122.51 1s1h h ASP 65 Ca 0.14 -0.01 -0.02 0.00 0.42 0.00 0.00 57.03 57.55 1s1h h ASP 65 Cb 0.28 -0.24 -0.02 0.00 1.72 0.00 0.00 39.33 41.07 1s1h h ASP 65 CO -0.00 0.71 0.15 0.58 -2.88 0.00 0.00 179.24 177.81 1s1h h VAL 66 N 1.20 1.19 -0.18 2.25 2.07 -0.18 -1.37 116.25 121.23 1s1h h VAL 66 Ca 0.37 -0.58 -0.02 0.00 0.82 0.00 0.00 66.70 67.29 1s1h h VAL 66 Cb -0.01 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 1s1h h VAL 66 CO -0.11 0.21 0.02 0.00 0.02 0.00 0.00 177.57 177.71 1s1h h ALA 67 N 1.00 0.24 -0.63 1.67 0.00 0.54 -1.84 119.26 120.24 1s1h h ALA 67 Ca 0.13 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.88 1s1h h ALA 67 Cb 0.18 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 1s1h h ALA 67 CO -0.01 -0.08 0.40 0.00 0.00 0.00 0.00 179.25 179.56 1s1h h ALA 68 N 0.81 0.81 -0.84 0.00 0.00 -0.03 0.51 119.26 120.52 1s1h h ALA 68 Ca 0.05 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1s1h h ALA 68 Cb 0.33 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 1s1h h ALA 68 CO 0.01 0.18 0.45 0.87 0.00 0.00 0.00 179.25 180.76 1s1h h LYS 69 N 0.81 1.18 0.00 0.00 1.79 -1.18 0.08 116.57 119.25 1s1h h LYS 69 Ca 0.24 -0.14 -0.04 0.00 -2.18 0.00 0.00 60.65 58.53 1s1h h LYS 69 Cb -0.04 -0.23 -0.01 0.00 -1.58 0.00 0.00 32.23 30.38 1s1h h LYS 69 CO -0.08 0.87 -0.19 0.00 -1.08 0.00 0.00 179.45 178.98 1s1h h ARG 71 N 0.00 0.87 -0.42 0.00 3.08 0.20 -1.28 114.38 116.83 1s1h h ARG 71 Ca -0.00 -0.12 -0.04 0.00 0.07 0.00 0.00 59.98 59.88 1s1h h ARG 71 Cb 0.57 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.44 1s1h h ARG 71 CO 0.02 0.69 0.07 0.93 -1.07 0.00 0.00 179.97 180.62 1s1h h GLU 72 N 0.86 0.63 0.00 0.04 5.08 -1.41 0.68 114.58 120.46 1s1h h GLU 72 Ca 0.21 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1s1h h GLU 72 Cb 0.13 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1s1h h GLU 72 CO -0.02 0.60 0.00 0.28 -1.00 0.00 0.00 179.01 178.87 1s1h n VAL 73 N -4.30 1.25 -0.41 3.13 0.31 -0.54 -4.56 118.33 113.22 1s1h n VAL 73 Ca 0.03 0.46 0.00 0.00 -0.01 0.00 0.00 64.34 64.81 1s1h n VAL 73 Cb 0.22 -1.39 0.00 0.00 -0.91 0.00 0.00 33.84 31.76 1s1h n VAL 73 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1s1h n GLY 74 N -0.79 0.79 3.77 2.92 0.00 0.24 -1.38 105.19 110.74 1s1h n GLY 74 Ca 0.01 -0.42 -0.37 0.00 0.00 0.00 0.00 46.02 45.24 1s1h n GLY 74 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1s1h s ILE 75 N -2.00 3.24 0.22 -0.61 1.10 -0.85 -2.29 121.20 120.02 1s1h s ILE 75 Ca 0.00 0.96 0.00 0.00 -0.51 0.00 0.00 60.65 61.10 1s1h s ILE 75 Cb 0.00 -3.50 0.00 0.00 0.15 0.00 0.00 42.46 39.11 1s1h s ILE 75 CO 0.00 0.01 0.00 0.41 -2.11 0.00 0.00 174.94 173.25 1s1h n THR 76 N -0.28 0.22 -4.00 4.00 -1.04 0.24 -4.65 114.28 108.77 1s1h n THR 76 Ca 0.06 0.07 -0.33 0.00 -2.04 0.00 0.00 64.05 61.81 1s1h n THR 76 Cb 0.48 -0.66 -0.06 0.00 -1.82 0.00 0.00 70.33 68.27 1s1h n THR 76 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1s1h s ALA 77 N -2.00 3.77 0.03 2.41 0.00 -0.09 -1.10 121.76 124.77 1s1h s ALA 77 Ca 0.00 -0.81 -0.11 0.00 0.00 0.00 0.00 51.96 51.03 1s1h s ALA 77 Cb 0.00 -1.73 0.01 0.00 0.00 0.00 0.00 23.12 21.40 1s1h s ALA 77 CO 0.00 0.72 0.24 0.08 0.00 0.00 0.00 175.76 176.79 1s1h s VAL 78 N -1.25 0.09 -0.18 0.00 1.01 -0.69 -1.31 120.40 118.06 1s1h s VAL 78 Ca 0.25 -0.74 -0.06 0.00 0.00 0.00 0.00 61.98 61.43 1s1h s VAL 78 Cb -0.12 -0.81 -0.03 0.00 0.00 0.00 0.00 36.38 35.42 1s1h s VAL 78 CO 0.16 -0.41 0.02 -1.00 0.00 0.00 0.00 175.10 173.87 1s1h s HIS 79 N -2.20 3.12 -0.11 5.22 3.76 -0.14 -0.20 115.29 124.74 1s1h s HIS 79 Ca -0.08 -0.18 -0.10 0.00 -0.15 0.00 0.00 55.06 54.54 1s1h s HIS 79 Cb -0.03 -2.06 -0.05 0.00 1.11 0.00 0.00 32.58 31.56 1s1h s HIS 79 CO -0.02 -0.03 0.23 0.08 -0.85 0.00 0.00 174.74 174.16 1s1h s VAL 80 N 0.60 5.35 -0.10 -0.90 1.01 0.22 0.51 120.40 127.09 1s1h s VAL 80 Ca 0.01 0.42 0.02 0.00 0.00 0.00 0.00 61.98 62.43 1s1h s VAL 80 Cb -0.14 -3.52 0.01 0.00 0.00 0.00 0.00 36.38 32.73 1s1h s VAL 80 CO 0.02 0.55 -0.17 -0.54 0.00 0.00 0.00 175.10 174.96 1s1h s LYS 81 N -0.59 2.31 -0.21 2.72 1.02 0.73 -0.51 119.74 125.21 1s1h s LYS 81 Ca 0.16 -0.61 -0.08 0.00 0.02 0.00 0.00 55.97 55.47 1s1h s LYS 81 Cb -0.13 -1.89 -0.04 0.00 -0.52 0.00 0.00 37.83 35.25 1s1h s LYS 81 CO 0.05 0.02 0.07 0.42 -0.92 0.00 0.00 175.35 174.99 1s1h s ILE 82 N 0.75 4.70 -0.05 2.17 -1.09 0.24 0.40 121.20 128.32 1s1h s ILE 82 Ca -0.11 -0.06 0.02 0.00 -2.23 0.00 0.00 60.65 58.27 1s1h s ILE 82 Cb -0.16 -3.15 0.01 0.00 -1.58 0.00 0.00 42.46 37.59 1s1h s ILE 82 CO 0.02 0.41 -0.10 -0.13 -1.23 0.00 0.00 174.94 173.91 1s1h s ARG 83 N 0.81 1.35 0.00 2.79 0.52 0.60 -1.29 118.95 123.74 1s1h s ARG 83 Ca 0.04 -0.34 0.00 0.00 -0.52 0.00 0.00 55.73 54.91 1s1h s ARG 83 Cb -0.13 -1.18 0.00 0.00 0.52 0.00 0.00 34.95 34.16 1s1h s ARG 83 CO 0.02 0.04 0.00 0.00 0.02 0.00 0.00 175.30 175.39 1s1h n ALA 84 N 3.68 0.00 -2.41 2.13 0.00 -1.26 -1.57 120.51 121.08 1s1h n ALA 84 Ca -0.22 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 52.94 1s1h n ALA 84 Cb 0.52 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.85 1s1h n ALA 84 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1s1h s THR 85 N -2.48 2.36 0.00 0.00 -4.23 -1.26 -4.44 115.64 105.58 1s1h s THR 85 Ca 0.00 -1.81 0.00 0.00 -1.18 0.00 0.00 61.69 58.70 1s1h s THR 85 Cb 0.00 -2.07 0.00 0.00 1.34 0.00 0.00 72.50 71.77 1s1h s THR 85 CO 0.00 0.03 0.00 0.61 -0.54 0.00 0.00 174.62 174.72 1s1h n GLY 86 N 0.71 -0.49 0.00 3.99 0.00 -1.26 -3.77 105.19 104.37 1s1h n GLY 86 Ca -0.16 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 44.74 1s1h n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s1h n GLY 87 N -0.49 0.38 3.51 -0.02 0.00 -1.15 -3.11 105.19 104.32 1s1h n GLY 87 Ca 0.00 0.48 -0.10 0.00 0.00 0.00 0.00 46.02 46.40 1s1h n GLY 87 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1s1h s THR 88 N 2.13 0.00 0.17 2.61 -1.32 -1.24 -4.01 115.64 113.99 1s1h s THR 88 Ca 0.00 0.00 0.11 0.00 -1.21 0.00 0.00 61.69 60.59 1s1h s THR 88 Cb 0.00 -1.00 -0.06 0.00 -1.51 0.00 0.00 72.50 69.93 1s1h s THR 88 CO 0.00 0.00 1.51 0.03 -2.21 0.00 0.00 174.62 173.95 1s1h h ARG 89 N 2.15 0.00 -6.09 7.08 2.47 -1.92 -3.46 114.38 114.61 1s1h h ARG 89 Ca -0.23 0.00 -0.58 0.00 -1.26 0.00 0.00 59.98 57.91 1s1h h ARG 89 Cb 1.23 0.00 0.19 0.00 -1.65 0.00 0.00 29.97 29.74 1s1h h ARG 89 CO 0.32 0.70 -1.21 2.41 0.56 0.00 0.00 179.97 182.75 1s1h n THR 90 N -3.57 0.28 0.04 2.04 -1.04 -1.26 -4.84 114.28 105.92 1s1h n THR 90 Ca -0.00 -0.49 0.03 0.00 -2.04 0.00 0.00 64.05 61.55 1s1h n THR 90 Cb 0.72 -0.11 0.41 0.00 -1.82 0.00 0.00 70.33 69.53 1s1h n THR 90 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 1s1h h LYS 91 N -0.27 0.46 -7.16 -2.82 1.63 -2.01 -3.43 116.57 102.97 1s1h h LYS 91 Ca -0.42 -0.05 -0.47 0.00 -0.85 0.00 0.00 60.65 58.86 1s1h h LYS 91 Cb 1.40 -0.09 0.21 0.00 -0.60 0.00 0.00 32.23 33.15 1s1h h LYS 91 CO 0.38 0.38 0.03 -2.37 -3.45 0.00 0.00 179.45 174.42 1s1h n THR 92 N -4.41 0.00 -0.09 1.00 5.66 -1.26 -4.80 114.28 110.38 1s1h n THR 92 Ca 0.02 -0.29 0.13 0.00 -3.05 0.00 0.00 64.05 60.86 1s1h n THR 92 Cb 0.13 -0.98 0.51 0.00 -1.55 0.00 0.00 70.33 68.44 1s1h n THR 92 CO 0.00 0.00 0.00 -0.65 -3.05 0.00 0.00 175.07 171.37 1s1h h PRO 93 N -2.41 0.37 -6.17 1.09 0.11 -1.99 -3.46 132.00 119.54 1s1h h PRO 93 Ca -0.55 -0.02 -0.42 0.00 0.11 0.00 0.00 66.00 65.11 1s1h h PRO 93 Cb 1.31 -0.08 0.07 0.00 0.11 0.00 0.00 31.00 32.41 1s1h h PRO 93 CO 0.46 0.24 -0.90 0.41 -0.21 0.00 0.00 178.00 178.00 1s1h n GLY 94 N -1.53 -0.74 0.23 -0.55 0.00 -1.26 -4.81 105.19 96.53 1s1h n GLY 94 Ca 0.11 0.35 0.04 0.00 0.00 0.00 0.00 46.02 46.52 1s1h n GLY 94 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1s1h h PRO 95 N -1.81 0.06 0.00 1.61 0.11 -1.89 -3.27 132.00 126.81 1s1h h PRO 95 Ca -0.64 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.45 1s1h h PRO 95 Cb 1.36 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.46 1s1h h PRO 95 CO 0.52 0.24 0.00 0.41 -0.21 0.00 0.00 178.00 178.96 1s1h n GLY 96 N -0.94 2.46 0.17 -0.55 0.00 -1.26 -3.54 105.19 101.52 1s1h n GLY 96 Ca -0.02 -0.51 -0.22 0.00 0.00 0.00 0.00 46.02 45.27 1s1h n GLY 96 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1s1h h GLY 97 N 0.00 0.68 1.12 -0.02 0.00 -1.84 -3.34 103.07 99.66 1s1h h GLY 97 Ca 0.00 -1.42 -0.07 0.00 0.00 0.00 0.00 47.33 45.84 1s1h h GLY 97 CO 0.00 1.25 0.13 -1.61 0.00 0.00 0.00 176.54 176.30 1s1h h GLN 98 N 0.27 1.08 -0.93 4.80 5.75 -1.89 -2.15 115.11 122.05 1s1h h GLN 98 Ca -0.18 -0.27 0.01 0.00 -0.15 0.00 0.00 58.65 58.06 1s1h h GLN 98 Cb 1.90 -0.14 -0.05 0.00 1.07 0.00 0.00 27.48 30.27 1s1h h GLN 98 CO 0.23 0.98 0.62 0.00 -2.65 0.00 0.00 178.83 178.01 1s1h h ALA 99 N 1.11 1.18 -0.59 3.38 0.00 -1.88 0.28 119.26 122.74 1s1h h ALA 99 Ca 0.21 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1s1h h ALA 99 Cb 0.41 -0.38 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1s1h h ALA 99 CO 0.01 0.57 0.26 0.00 0.00 0.00 0.00 179.25 180.10 1s1h h ALA 100 N 1.34 0.76 -0.47 0.00 0.00 -1.55 0.29 119.26 119.63 1s1h h ALA 100 Ca 0.34 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 1s1h h ALA 100 Cb -0.14 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.39 1s1h h ALA 100 CO -0.08 0.34 0.22 1.25 0.00 0.00 0.00 179.25 180.99 1s1h h LEU 101 N 0.80 0.58 -0.11 0.00 5.85 -0.45 -2.18 115.31 119.82 1s1h h LEU 101 Ca 0.20 -0.05 -0.07 0.00 0.84 0.00 0.00 57.88 58.80 1s1h h LEU 101 Cb 0.15 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.04 1s1h h LEU 101 CO -0.02 0.50 -0.19 0.03 -0.34 0.00 0.00 178.44 178.42 1s1h h ARG 102 N 0.65 0.32 -0.50 1.25 2.47 0.57 -3.11 114.38 116.04 1s1h h ARG 102 Ca 0.16 -0.20 -0.00 0.00 -1.26 0.00 0.00 59.98 58.68 1s1h h ARG 102 Cb 0.08 0.02 -0.02 0.00 -1.65 0.00 0.00 29.97 28.39 1s1h h ARG 102 CO -0.02 0.79 0.30 0.00 0.56 0.00 0.00 179.97 181.60 1s1h h ALA 103 N 0.53 1.59 -0.19 0.04 0.00 -0.06 -0.83 119.26 120.34 1s1h h ALA 103 Ca 0.01 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1s1h h ALA 103 Cb 0.77 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1s1h h ALA 103 CO 0.04 0.36 -0.04 -0.07 0.00 0.00 0.00 179.25 179.54 1s1h h LEU 104 N 0.68 0.37 -0.89 0.00 3.38 -1.47 0.35 115.31 117.73 1s1h h LEU 104 Ca 0.18 -0.36 0.04 0.00 0.09 0.00 0.00 57.88 57.83 1s1h h LEU 104 Cb -0.03 -0.10 -0.06 0.00 0.09 0.00 0.00 40.66 40.56 1s1h h LEU 104 CO -0.03 0.64 0.57 0.00 0.09 0.00 0.00 178.44 179.71 1s1h h ALA 105 N 0.74 1.19 0.01 1.53 0.00 -1.11 -1.11 119.26 120.51 1s1h h ALA 105 Ca 0.05 -0.03 -0.20 0.00 0.00 0.00 0.00 54.91 54.73 1s1h h ALA 105 Cb 0.48 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1s1h h ALA 105 CO 0.02 0.40 -0.88 0.00 0.00 0.00 0.00 179.25 178.79 1s1h h ARG 106 N 1.10 0.18 -0.85 0.00 3.08 -1.29 -3.35 114.38 113.24 1s1h h ARG 106 Ca 0.36 -0.20 0.25 0.00 0.07 0.00 0.00 59.98 60.46 1s1h h ARG 106 Cb 0.05 0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.12 1s1h h ARG 106 CO -0.13 0.95 0.75 0.66 -1.07 0.00 0.00 179.97 181.13 1s1h h SER 107 N 0.10 0.00 0.00 7.04 4.64 0.11 -3.43 113.55 122.00 1s1h h SER 107 Ca -0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 1s1h h SER 107 Cb 1.52 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.61 1s1h h SER 107 CO 0.13 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.70 1s1h n GLY 108 N -1.65 1.02 3.77 -0.77 0.00 -1.25 -4.95 105.19 101.36 1s1h n GLY 108 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 1s1h n GLY 108 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1s1h s LEU 109 N 0.00 4.47 -0.10 0.99 1.43 -1.26 -4.97 118.68 119.25 1s1h s LEU 109 Ca 0.00 2.54 -0.24 0.00 -1.03 0.00 0.00 54.13 55.40 1s1h s LEU 109 Cb 0.00 -3.64 -0.03 0.00 0.03 0.00 0.00 46.19 42.55 1s1h s LEU 109 CO 0.00 -0.39 0.73 -0.13 0.23 0.00 0.00 176.35 176.78 1s1h s ARG 110 N -1.67 4.39 -0.33 1.70 0.52 -0.26 -4.60 118.95 118.71 1s1h s ARG 110 Ca 0.47 0.89 -0.16 0.00 -0.52 0.00 0.00 55.73 56.42 1s1h s ARG 110 Cb -0.37 -3.49 -0.02 0.00 0.52 0.00 0.00 34.95 31.60 1s1h s ARG 110 CO 0.49 -0.04 0.41 0.96 0.02 0.00 0.00 175.30 177.13 1s1h s ILE 111 N 1.18 5.12 0.08 1.52 -4.36 -1.26 -1.71 121.20 121.77 1s1h s ILE 111 Ca 0.37 0.26 -0.18 0.00 -0.26 0.00 0.00 60.65 60.84 1s1h s ILE 111 Cb -0.17 -3.84 -0.09 0.00 1.25 0.00 0.00 42.46 39.61 1s1h s ILE 111 CO 0.17 -0.07 1.47 1.23 0.24 0.00 0.00 174.94 177.98 1s1h h GLY 112 N 8.82 0.53 -3.37 6.27 0.00 -0.97 -3.47 103.07 110.88 1s1h h GLY 112 Ca -0.30 -0.44 -0.04 0.00 0.00 0.00 0.00 47.33 46.56 1s1h h GLY 112 CO 0.71 0.40 0.20 1.09 0.00 0.00 0.00 176.54 178.94 1s1h s ARG 113 N -4.75 1.20 -0.13 4.80 1.70 -1.25 -5.02 118.95 115.49 1s1h s ARG 113 Ca -0.13 -0.21 -0.01 0.00 -0.47 0.00 0.00 55.73 54.91 1s1h s ARG 113 Cb 0.07 0.56 -0.02 0.00 -0.57 0.00 0.00 34.95 34.99 1s1h s ARG 113 CO 0.76 -0.47 -0.11 0.42 -1.08 0.00 0.00 175.30 174.82 1s1h s ILE 114 N -2.82 3.27 -0.02 4.99 1.09 -1.26 0.70 121.20 127.16 1s1h s ILE 114 Ca -0.03 -0.59 0.02 0.00 -1.10 0.00 0.00 60.65 58.94 1s1h s ILE 114 Cb -0.01 -2.38 0.00 0.00 -1.06 0.00 0.00 42.46 39.02 1s1h s ILE 114 CO -0.05 0.52 -0.05 -1.61 -0.10 0.00 0.00 174.94 173.66 1s1h s GLU 115 N 0.23 0.53 -0.43 2.79 0.41 0.33 -4.96 118.70 117.60 1s1h s GLU 115 Ca -0.07 -0.16 -0.15 0.00 -0.41 0.00 0.00 54.97 54.18 1s1h s GLU 115 Cb -0.15 -0.54 0.03 0.00 -1.78 0.00 0.00 34.13 31.70 1s1h s GLU 115 CO 0.05 0.06 0.34 0.34 -0.49 0.00 0.00 175.26 175.55 1s1h s ASP 116 N 0.20 6.13 -0.46 -0.19 2.15 -1.26 0.83 116.67 124.07 1s1h s ASP 116 Ca -0.02 -1.00 0.09 0.00 0.43 0.00 0.00 52.55 52.05 1s1h s ASP 116 Cb -0.06 -2.17 0.38 0.00 -0.30 0.00 0.00 42.92 40.77 1s1h s ASP 116 CO -0.00 -0.52 0.94 0.55 -0.17 0.00 0.00 175.17 175.97 1s1h n VAL 117 N 5.20 1.85 -2.05 1.11 3.14 -0.41 -4.93 118.33 122.24 1s1h n VAL 117 Ca -0.11 -4.82 -0.42 0.00 -2.96 0.00 0.00 64.34 56.03 1s1h n VAL 117 Cb 0.46 -0.80 -0.03 0.00 -1.06 0.00 0.00 33.84 32.42 1s1h n VAL 117 CO 0.00 0.00 0.00 0.42 -6.46 0.00 0.00 176.83 170.79 1s1h s THR 118 N -4.07 3.11 0.65 1.55 -4.23 -1.23 -4.80 115.64 106.62 1s1h s THR 118 Ca 0.43 0.71 -0.15 0.00 -1.18 0.00 0.00 61.69 61.50 1s1h s THR 118 Cb 0.35 -3.45 -0.01 0.00 1.34 0.00 0.00 72.50 70.73 1s1h s THR 118 CO -0.11 0.03 1.09 -2.84 -0.54 0.00 0.00 174.62 172.25 1s1h s PRO 119 N 1.71 2.96 -0.01 3.99 0.02 -1.26 -4.92 135.00 137.49 1s1h s PRO 119 Ca 0.68 1.28 -0.05 0.00 0.02 0.00 0.00 61.00 62.93 1s1h s PRO 119 Cb -0.39 -1.98 0.00 0.00 0.02 0.00 0.00 34.50 32.16 1s1h s PRO 119 CO 0.30 -1.11 0.11 0.54 -0.33 0.00 0.00 177.00 176.52 1s1h s VAL 120 N -2.47 0.06 0.60 3.83 0.11 -1.26 -4.93 120.40 116.35 1s1h s VAL 120 Ca 0.65 -0.50 -0.14 0.00 -2.93 0.00 0.00 61.98 59.06 1s1h s VAL 120 Cb -0.18 -0.33 -0.04 0.00 -1.53 0.00 0.00 36.38 34.30 1s1h s VAL 120 CO 0.42 -0.27 1.03 -2.84 -3.33 0.00 0.00 175.10 170.11 1s1h s PRO 121 N -0.93 3.44 0.07 1.54 0.02 -1.26 -4.93 135.00 132.95 1s1h s PRO 121 Ca -0.10 1.00 -0.26 0.00 0.02 0.00 0.00 61.00 61.65 1s1h s PRO 121 Cb -0.06 -2.06 -0.17 0.00 0.02 0.00 0.00 34.50 32.24 1s1h s PRO 121 CO 0.01 -0.70 1.61 0.77 -0.33 0.00 0.00 177.00 178.36 1s1h h SER 122 N 0.14 -0.26 0.00 2.53 0.02 -2.03 -3.44 113.55 110.51 1s1h h SER 122 Ca -0.46 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.44 1s1h h SER 122 Cb 1.20 0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.81 1s1h h SER 122 CO 0.59 -0.12 0.00 -0.90 -1.14 0.00 0.00 176.83 175.27 1s1h n ASP 123 N -5.19 0.00 0.00 3.07 5.75 -1.26 -5.11 116.55 113.81 1s1h n ASP 123 Ca -0.09 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.69 1s1h n ASP 123 Cb 0.17 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.26 1s1h n ASP 123 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1s1h n SER 124 N 0.00 0.00 -4.05 -1.12 7.64 -1.26 -4.97 113.62 109.86 1s1h n SER 124 Ca 0.00 0.51 -0.10 0.00 1.01 0.00 0.00 58.87 60.29 1s1h n SER 124 Cb 0.00 -0.11 -0.08 0.00 -1.01 0.00 0.00 64.21 63.01 1s1h n SER 124 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1s1h s THR 125 N -1.20 0.06 0.21 0.44 2.01 -1.26 -5.11 115.64 110.79 1s1h s THR 125 Ca 0.00 -1.61 -0.30 0.00 0.31 0.00 0.00 61.69 60.09 1s1h s THR 125 Cb 0.00 -2.00 -0.09 0.00 0.01 0.00 0.00 72.50 70.41 1s1h s THR 125 CO 0.00 -0.29 1.40 -0.60 -0.69 0.00 0.00 174.62 174.45 1s1h s ARG 126 N -4.02 4.31 0.26 4.92 6.06 -1.26 -4.98 118.95 124.24 1s1h s ARG 126 Ca 0.22 2.21 -0.17 0.00 -2.50 0.00 0.00 55.73 55.49 1s1h s ARG 126 Cb 0.05 -3.15 -0.08 0.00 0.06 0.00 0.00 34.95 31.82 1s1h s ARG 126 CO 0.03 -0.38 0.71 0.15 -2.50 0.00 0.00 175.30 173.30 1s1h s LYS 127 N -0.03 4.11 0.00 5.12 1.02 -1.26 -5.07 119.74 123.63 1s1h s LYS 127 Ca 0.60 0.74 0.00 0.00 0.02 0.00 0.00 55.97 57.33 1s1h s LYS 127 Cb -0.40 -2.68 0.00 0.00 -0.52 0.00 0.00 37.83 34.23 1s1h s LYS 127 CO 0.39 0.29 0.00 1.63 -0.92 0.00 0.00 175.35 176.75 1s1h n LYS 128 N 0.22 3.97 -1.66 1.68 5.02 -1.26 -4.57 118.16 121.56 1s1h n LYS 128 Ca 0.00 0.00 -0.05 0.00 -2.02 0.00 0.00 58.31 56.25 1s1h n LYS 128 Cb 0.52 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.52 1s1h n LYS 128 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1s1h n GLY 129 N 5.00 0.43 2.26 0.72 0.00 -1.26 -2.33 105.19 110.01 1s1h n GLY 129 Ca 0.00 -0.77 -0.05 0.00 0.00 0.00 0.00 46.02 45.20 1s1h n GLY 129 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s1h n GLY 130 N -1.64 0.76 4.03 -0.02 0.00 -1.26 -4.98 105.19 102.08 1s1h n GLY 130 Ca -0.05 -0.49 -0.20 0.00 0.00 0.00 0.00 46.02 45.29 1s1h n GLY 130 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1s1h s ARG 131 N -2.04 2.29 0.00 1.61 0.52 -0.98 -5.20 118.95 115.14 1s1h s ARG 131 Ca 0.00 -1.51 0.00 0.00 -0.52 0.00 0.00 55.73 53.70 1s1h s ARG 131 Cb 0.00 -2.62 0.00 0.00 0.52 0.00 0.00 34.95 32.85 1s1h s ARG 131 CO 0.00 -0.87 0.00 -2.13 0.02 0.00 0.00 175.30 172.32