#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d2s s PRO 14 N 0.00 4.21 0.12 0.52 0.04 -1.26 -4.99 135.00 133.64 1d2s s PRO 14 Ca 0.00 2.26 0.10 0.00 0.04 0.00 0.00 61.00 63.41 1d2s s PRO 14 Cb 0.00 -3.65 -0.04 0.00 0.04 0.00 0.00 34.50 30.85 1d2s s PRO 14 CO 0.00 -0.73 -0.25 0.00 0.04 0.00 0.00 177.00 176.07 1d2s s ALA 15 N 2.80 2.46 0.11 8.56 0.00 -1.26 -4.42 121.76 130.01 1d2s s ALA 15 Ca 0.72 -1.43 0.10 0.00 0.00 0.00 0.00 51.96 51.35 1d2s s ALA 15 Cb -0.38 -0.45 -0.04 0.00 0.00 0.00 0.00 23.12 22.25 1d2s s ALA 15 CO 0.31 0.55 -0.26 0.54 0.00 0.00 0.00 175.76 176.91 1d2s s VAL 16 N -1.08 2.15 0.10 0.00 0.11 0.38 -0.54 120.40 121.52 1d2s s VAL 16 Ca 0.15 -1.67 -0.30 0.00 -2.93 0.00 0.00 61.98 57.23 1d2s s VAL 16 Cb -0.10 -1.90 -0.06 0.00 -1.53 0.00 0.00 36.38 32.79 1d2s s VAL 16 CO 0.07 0.11 1.18 -1.00 -3.33 0.00 0.00 175.10 172.13 1d2s s HIS 17 N -1.04 3.46 -1.92 1.54 3.76 -0.28 -0.55 115.29 120.27 1d2s s HIS 17 Ca 0.12 1.37 0.30 0.00 -0.15 0.00 0.00 55.06 56.70 1d2s s HIS 17 Cb -0.10 -3.40 1.52 0.00 1.11 0.00 0.00 32.58 31.71 1d2s s HIS 17 CO 0.05 -1.15 2.02 1.28 -0.85 0.00 0.00 174.74 176.09 1d2s n LEU 18 N 3.48 0.40 -3.91 0.89 4.77 0.39 -4.75 117.00 118.27 1d2s n LEU 18 Ca 0.07 -0.05 -0.11 0.00 -0.03 0.00 0.00 56.01 55.89 1d2s n LEU 18 Cb 0.46 -0.09 -0.11 0.00 -2.33 0.00 0.00 43.42 41.35 1d2s n LEU 18 CO 0.55 0.07 -0.28 -0.94 -1.33 0.00 0.00 177.39 175.46 1d2s s SER 19 N -2.20 0.09 0.09 -1.43 1.04 -1.23 -4.45 113.70 105.60 1d2s s SER 19 Ca 0.39 -0.24 0.10 0.00 0.48 0.00 0.00 55.95 56.67 1d2s s SER 19 Cb 0.21 0.15 -0.03 0.00 0.10 0.00 0.00 66.02 66.44 1d2s s SER 19 CO 0.40 -0.25 -0.25 0.21 0.98 0.00 0.00 173.24 174.33 1d2s s ASN 20 N -1.05 3.07 1.57 7.02 3.84 -1.26 -4.96 114.94 123.18 1d2s s ASN 20 Ca -0.11 -0.67 0.00 0.00 0.21 0.00 0.00 52.86 52.29 1d2s s ASN 20 Cb -0.07 -0.23 0.00 0.00 -0.55 0.00 0.00 41.25 40.40 1d2s s ASN 20 CO 0.00 0.19 0.00 0.61 -2.79 0.00 0.00 177.10 175.11 1d2s n GLY 21 N 1.31 3.43 0.58 1.21 0.00 -1.26 -1.61 105.19 108.85 1d2s n GLY 21 Ca -0.18 -0.06 0.06 0.00 0.00 0.00 0.00 46.02 45.85 1d2s n GLY 21 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1d2s n PRO 22 N 14.00 1.74 -3.65 1.61 -0.04 -1.26 -4.96 135.00 142.44 1d2s n PRO 22 Ca 0.00 -1.14 -0.21 0.00 -0.04 0.00 0.00 63.50 62.11 1d2s n PRO 22 Cb 0.00 -1.28 0.05 0.00 -0.04 0.00 0.00 33.50 32.23 1d2s n PRO 22 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1d2s n GLY 23 N 1.03 -0.33 0.00 0.55 0.00 -0.63 -4.86 105.19 100.96 1d2s n GLY 23 Ca 0.12 0.13 0.09 0.00 0.00 0.00 0.00 46.02 46.35 1d2s n GLY 23 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1d2s n GLN 24 N -4.29 0.96 -4.04 1.61 6.02 -1.26 -3.20 117.38 113.18 1d2s n GLN 24 Ca -0.27 -0.00 -0.09 0.00 -0.01 0.00 0.00 57.00 56.64 1d2s n GLN 24 Cb 0.66 -1.36 -0.09 0.00 1.02 0.00 0.00 30.24 30.47 1d2s n GLN 24 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 177.06 174.22 1d2s s GLU 25 N -2.73 0.85 0.75 -1.09 -1.05 -1.26 -4.90 118.70 109.27 1d2s s GLU 25 Ca 0.07 -1.23 -0.13 0.00 -0.15 0.00 0.00 54.97 53.53 1d2s s GLU 25 Cb 0.14 0.27 0.05 0.00 -0.44 0.00 0.00 34.13 34.15 1d2s s GLU 25 CO 0.75 -0.24 1.13 -1.25 0.95 0.00 0.00 175.26 176.60 1d2s s PRO 26 N -3.96 2.22 0.33 -4.83 0.04 -1.26 -4.66 135.00 122.88 1d2s s PRO 26 Ca 0.14 1.43 0.20 0.00 0.04 0.00 0.00 61.00 62.80 1d2s s PRO 26 Cb 0.06 -1.88 0.17 0.00 0.04 0.00 0.00 34.50 32.90 1d2s s PRO 26 CO -0.05 -1.71 1.42 -0.84 0.04 0.00 0.00 177.00 175.87 1d2s h ILE 27 N -0.68 0.29 -2.55 0.56 3.07 -1.27 -3.42 117.51 113.50 1d2s h ILE 27 Ca -0.45 -1.43 -0.06 0.00 1.55 0.00 0.00 64.86 64.47 1d2s h ILE 27 Cb 1.26 2.05 -0.17 0.00 -0.27 0.00 0.00 36.82 39.69 1d2s h ILE 27 CO 0.50 0.16 0.09 0.00 -1.05 0.00 0.00 178.15 177.86 1d2s s ALA 28 N -3.14 -1.48 -0.04 0.16 0.00 -1.25 -4.33 121.76 111.68 1d2s s ALA 28 Ca 0.04 0.81 -0.01 0.00 0.00 0.00 0.00 51.96 52.81 1d2s s ALA 28 Cb 0.07 0.30 0.03 0.00 0.00 0.00 0.00 23.12 23.51 1d2s s ALA 28 CO 0.72 -0.48 0.01 0.08 0.00 0.00 0.00 175.76 176.10 1d2s s VAL 29 N -2.11 0.18 -0.09 0.00 1.01 -0.00 -1.38 120.40 118.00 1d2s s VAL 29 Ca -0.07 0.17 0.01 0.00 0.00 0.00 0.00 61.98 62.09 1d2s s VAL 29 Cb -0.01 -0.32 -0.02 0.00 0.00 0.00 0.00 36.38 36.03 1d2s s VAL 29 CO 0.01 0.19 -0.11 -0.04 0.00 0.00 0.00 175.10 175.15 1d2s s MET 30 N 1.52 2.93 -0.09 2.72 -1.94 0.36 -0.43 119.30 124.38 1d2s s MET 30 Ca -0.03 -0.64 0.01 0.00 -1.71 0.00 0.00 55.69 53.32 1d2s s MET 30 Cb -0.13 -2.56 -0.02 0.00 2.01 0.00 0.00 34.83 34.13 1d2s s MET 30 CO -0.03 0.48 -0.11 0.99 -0.01 0.00 0.00 175.02 176.34 1d2s s THR 31 N -0.33 3.32 -0.01 2.05 2.01 0.11 -0.29 115.64 122.49 1d2s s THR 31 Ca 0.04 -0.60 0.06 0.00 0.31 0.00 0.00 61.69 61.49 1d2s s THR 31 Cb -0.13 -2.36 -0.02 0.00 0.01 0.00 0.00 72.50 70.01 1d2s s THR 31 CO 0.02 0.56 -0.19 -0.36 -0.69 0.00 0.00 174.62 173.97 1d2s s PHE 32 N -0.30 1.66 -0.52 4.92 0.40 0.69 0.44 117.98 125.28 1d2s s PHE 32 Ca 0.03 -0.32 -0.28 0.00 -0.60 0.00 0.00 56.93 55.76 1d2s s PHE 32 Cb -0.13 -1.06 0.03 0.00 0.51 0.00 0.00 43.02 42.37 1d2s s PHE 32 CO 0.03 -0.02 1.13 0.34 0.70 0.00 0.00 175.22 177.39 1d2s s ASP 33 N -0.50 6.54 0.54 1.36 -1.08 0.47 -1.12 116.67 122.88 1d2s s ASP 33 Ca 0.07 0.27 0.22 0.00 -0.52 0.00 0.00 52.55 52.59 1d2s s ASP 33 Cb -0.07 -2.54 1.49 0.00 -1.46 0.00 0.00 42.92 40.34 1d2s s ASP 33 CO -0.01 -1.31 2.18 0.25 0.52 0.00 0.00 175.17 176.80 1d2s h LEU 34 N 11.39 0.00 -0.38 -1.34 5.85 -1.10 -1.36 115.31 128.37 1d2s h LEU 34 Ca -0.24 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.48 1d2s h LEU 34 Cb 1.06 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.09 1d2s h LEU 34 CO 1.14 0.02 0.00 0.35 -0.34 0.00 0.00 178.44 179.61 1d2s n THR 35 N -4.18 0.75 0.76 1.05 -2.24 -1.26 -2.83 114.28 106.33 1d2s n THR 35 Ca -0.03 0.12 0.08 0.00 -2.27 0.00 0.00 64.05 61.95 1d2s n THR 35 Cb 0.11 -0.97 0.01 0.00 -2.10 0.00 0.00 70.33 67.38 1d2s n THR 35 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1d2s n LYS 36 N -2.06 1.59 -2.62 -0.78 5.02 -0.52 -4.98 118.16 113.82 1d2s n LYS 36 Ca 0.03 -0.95 -0.42 0.00 -2.02 0.00 0.00 58.31 54.95 1d2s n LYS 36 Cb 0.27 -1.31 -0.03 0.00 -0.02 0.00 0.00 35.03 33.94 1d2s n LYS 36 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1d2s s ILE 37 N -1.92 4.61 -0.21 -0.18 1.01 -1.13 -4.53 121.20 118.85 1d2s s ILE 37 Ca 0.15 1.88 -0.09 0.00 0.00 0.00 0.00 60.65 62.59 1d2s s ILE 37 Cb 0.14 -4.21 -0.09 0.00 0.01 0.00 0.00 42.46 38.31 1d2s s ILE 37 CO 0.40 0.06 -0.26 0.35 0.00 0.00 0.00 174.94 175.49 1d2s n THR 38 N 4.30 1.15 -2.46 2.92 -2.24 -1.26 -4.92 114.28 111.77 1d2s n THR 38 Ca 0.08 -0.31 -0.43 0.00 -2.27 0.00 0.00 64.05 61.13 1d2s n THR 38 Cb 0.49 -1.73 -0.02 0.00 -2.10 0.00 0.00 70.33 66.96 1d2s n THR 38 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1d2s s LYS 39 N -2.39 3.99 -0.58 -0.78 2.20 -1.26 -4.90 119.74 116.01 1d2s s LYS 39 Ca -0.29 1.28 0.02 0.00 -0.36 0.00 0.00 55.97 56.62 1d2s s LYS 39 Cb 0.11 -3.84 0.41 0.00 -1.51 0.00 0.00 37.83 33.00 1d2s s LYS 39 CO 0.38 -1.02 1.61 0.25 -0.36 0.00 0.00 175.35 176.21 1d2s n THR 40 N 6.03 3.05 -3.96 3.43 -2.24 -1.26 -3.44 114.28 115.89 1d2s n THR 40 Ca 0.14 -4.15 -0.08 0.00 -2.27 0.00 0.00 64.05 57.69 1d2s n THR 40 Cb 0.46 -1.21 -0.09 0.00 -2.10 0.00 0.00 70.33 67.40 1d2s n THR 40 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1d2s s SER 41 N -2.43 0.27 0.02 3.42 1.04 -1.26 -1.01 113.70 113.74 1d2s s SER 41 Ca 0.54 -0.74 0.01 0.00 0.48 0.00 0.00 55.95 56.23 1d2s s SER 41 Cb 0.44 0.26 -0.02 0.00 0.10 0.00 0.00 66.02 66.80 1d2s s SER 41 CO -0.17 -0.62 -0.03 -0.44 0.98 0.00 0.00 173.24 172.95 1d2s s SER 42 N -2.68 0.33 -0.03 7.02 0.01 -0.15 -1.58 113.70 116.62 1d2s s SER 42 Ca 0.03 -0.39 -0.19 0.00 1.31 0.00 0.00 55.95 56.71 1d2s s SER 42 Cb 0.04 0.06 0.04 0.00 0.21 0.00 0.00 66.02 66.37 1d2s s SER 42 CO -0.09 -0.20 0.41 -0.94 0.41 0.00 0.00 173.24 172.82 1d2s s SER 43 N -1.13 -0.32 0.18 2.44 1.04 -0.29 -0.75 113.70 114.87 1d2s s SER 43 Ca -0.11 0.29 -0.24 0.00 0.48 0.00 0.00 55.95 56.38 1d2s s SER 43 Cb -0.08 0.41 0.06 0.00 0.10 0.00 0.00 66.02 66.52 1d2s s SER 43 CO -0.01 -0.47 0.96 0.72 0.98 0.00 0.00 173.24 175.43 1d2s s PHE 44 N -1.18 -0.07 -0.02 5.02 -0.12 -0.50 -1.22 117.98 119.89 1d2s s PHE 44 Ca -0.12 -0.29 0.07 0.00 -0.05 0.00 0.00 56.93 56.54 1d2s s PHE 44 Cb -0.04 0.67 -0.02 0.00 -0.63 0.00 0.00 43.02 43.00 1d2s s PHE 44 CO 0.05 -0.91 -0.22 -1.21 -0.05 0.00 0.00 175.22 172.88 1d2s s GLU 45 N -2.99 2.20 0.02 1.99 2.02 -0.49 -0.42 118.70 121.03 1d2s s GLU 45 Ca 0.15 -0.88 0.03 0.00 0.02 0.00 0.00 54.97 54.29 1d2s s GLU 45 Cb -0.02 -2.14 -0.01 0.00 0.10 0.00 0.00 34.13 32.06 1d2s s GLU 45 CO 0.04 0.57 -0.09 0.54 0.02 0.00 0.00 175.26 176.34 1d2s s VAL 46 N -0.67 0.72 -0.02 2.63 0.11 -0.58 -1.73 120.40 120.85 1d2s s VAL 46 Ca 0.11 -0.70 0.00 0.00 -2.93 0.00 0.00 61.98 58.46 1d2s s VAL 46 Cb -0.10 -0.66 0.03 0.00 -1.53 0.00 0.00 36.38 34.11 1d2s s VAL 46 CO -0.00 -0.02 0.01 -0.60 -3.33 0.00 0.00 175.10 171.16 1d2s s ARG 47 N -0.80 0.19 0.01 1.54 3.52 -0.65 -1.01 118.95 121.74 1d2s s ARG 47 Ca -0.01 0.10 -0.28 0.00 -0.13 0.00 0.00 55.73 55.41 1d2s s ARG 47 Cb -0.06 -0.39 0.10 0.00 -1.56 0.00 0.00 34.95 33.04 1d2s s ARG 47 CO 0.00 -0.13 0.87 -0.08 -0.81 0.00 0.00 175.30 175.15 1d2s s THR 48 N 0.96 0.00 -0.85 4.11 -1.32 -1.26 -0.42 115.64 116.86 1d2s s THR 48 Ca -0.09 -0.01 0.07 0.00 -1.21 0.00 0.00 61.69 60.45 1d2s s THR 48 Cb -0.13 -1.02 0.08 0.00 -1.51 0.00 0.00 72.50 69.93 1d2s s THR 48 CO -0.02 0.00 0.81 0.79 -2.21 0.00 0.00 174.62 173.99 1d2s n TRP 49 N -0.26 0.06 -3.10 9.09 7.02 -1.26 -1.44 117.44 127.55 1d2s n TRP 49 Ca -0.09 -0.10 -0.41 0.00 -1.02 0.00 0.00 57.50 55.88 1d2s n TRP 49 Cb 0.62 -0.01 -0.06 0.00 -2.42 0.00 0.00 31.31 29.44 1d2s n TRP 49 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 1d2s s ASP 50 N -0.68 6.51 0.23 -0.99 -1.08 -1.26 -4.91 116.67 114.49 1d2s s ASP 50 Ca 0.10 0.43 0.24 0.00 -0.52 0.00 0.00 52.55 52.80 1d2s s ASP 50 Cb 0.06 -2.34 0.93 0.00 -1.46 0.00 0.00 42.92 40.11 1d2s s ASP 50 CO 0.09 -0.50 1.72 -0.81 0.52 0.00 0.00 175.17 176.19 1d2s n PRO 51 N 5.92 0.20 -3.87 4.34 -0.04 -1.26 -4.73 135.00 135.55 1d2s n PRO 51 Ca -0.01 0.35 -0.11 0.00 -0.04 0.00 0.00 63.50 63.69 1d2s n PRO 51 Cb 0.49 -1.83 -0.12 0.00 -0.04 0.00 0.00 33.50 32.00 1d2s n PRO 51 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1d2s s GLU 52 N -3.24 0.22 0.00 0.54 2.12 -1.26 -0.61 118.70 116.47 1d2s s GLU 52 Ca 0.06 -0.12 0.00 0.00 0.36 0.00 0.00 54.97 55.27 1d2s s GLU 52 Cb 0.10 0.09 0.00 0.00 0.26 0.00 0.00 34.13 34.58 1d2s s GLU 52 CO 0.44 -0.04 0.00 0.41 -0.54 0.00 0.00 175.26 175.53 1d2s n GLY 53 N 2.45 -1.73 3.80 -1.50 0.00 -0.71 -4.46 105.19 103.04 1d2s n GLY 53 Ca -0.17 -1.49 -0.37 0.00 0.00 0.00 0.00 46.02 44.00 1d2s n GLY 53 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1d2s s VAL 54 N -1.83 5.37 -0.16 1.61 1.01 0.15 -0.33 120.40 126.22 1d2s s VAL 54 Ca 0.00 0.37 -0.12 0.00 0.00 0.00 0.00 61.98 62.22 1d2s s VAL 54 Cb 0.00 -3.51 -0.06 0.00 0.00 0.00 0.00 36.38 32.81 1d2s s VAL 54 CO 0.00 0.52 -0.12 -0.38 0.00 0.00 0.00 175.10 175.12 1d2s n ILE 55 N 2.67 1.45 -3.76 2.22 5.41 0.23 -3.92 119.36 123.66 1d2s n ILE 55 Ca -0.16 0.16 -0.10 0.00 1.00 0.00 0.00 62.75 63.64 1d2s n ILE 55 Cb 0.53 -2.32 -0.07 0.00 -0.71 0.00 0.00 39.64 37.08 1d2s n ILE 55 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 176.55 177.27 1d2s s PHE 56 N -2.31 -0.04 0.05 1.39 -0.12 -0.79 -0.80 117.98 115.37 1d2s s PHE 56 Ca -0.19 -0.26 0.06 0.00 -0.05 0.00 0.00 56.93 56.50 1d2s s PHE 56 Cb 0.03 0.08 -0.02 0.00 -0.63 0.00 0.00 43.02 42.48 1d2s s PHE 56 CO 0.30 -0.57 -0.18 -0.47 -0.05 0.00 0.00 175.22 174.25 1d2s s TYR 57 N -3.38 1.56 0.03 3.49 5.04 0.28 -0.79 117.35 123.58 1d2s s TYR 57 Ca 0.01 -0.37 -0.01 0.00 -2.44 0.00 0.00 57.07 54.26 1d2s s TYR 57 Cb 0.02 -0.92 -0.03 0.00 0.35 0.00 0.00 41.96 41.38 1d2s s TYR 57 CO -0.09 0.08 -0.02 0.20 -1.34 0.00 0.00 175.55 174.38 1d2s s GLY 58 N -1.21 0.31 0.22 8.97 0.00 0.45 -0.24 107.32 115.82 1d2s s GLY 58 Ca 0.05 -0.79 -0.17 0.00 0.00 0.00 0.00 44.72 43.80 1d2s s GLY 58 CO 0.02 -0.88 0.55 0.51 0.00 0.00 0.00 173.10 173.30 1d2s s ASP 59 N -2.01 -0.23 0.00 1.64 1.47 -0.35 -0.39 116.67 116.80 1d2s s ASP 59 Ca -0.07 -0.60 0.00 0.00 1.18 0.00 0.00 52.55 53.05 1d2s s ASP 59 Cb -0.03 0.61 0.00 0.00 -0.34 0.00 0.00 42.92 43.16 1d2s s ASP 59 CO -0.04 -1.13 0.17 0.35 0.68 0.00 0.00 175.17 175.19 1d2s n THR 60 N -0.37 0.00 -3.43 2.11 -2.24 -0.27 -0.76 114.28 109.31 1d2s n THR 60 Ca -0.07 -0.43 0.01 0.00 -2.27 0.00 0.00 64.05 61.29 1d2s n THR 60 Cb 0.62 1.05 -0.04 0.00 -2.10 0.00 0.00 70.33 69.86 1d2s n THR 60 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1d2s s ASN 61 N -0.52 -0.63 0.50 3.42 3.84 -1.17 -4.86 114.94 115.52 1d2s s ASN 61 Ca 0.00 0.87 0.32 0.00 0.21 0.00 0.00 52.86 54.26 1d2s s ASN 61 Cb 0.00 1.71 1.37 0.00 -0.55 0.00 0.00 41.25 43.78 1d2s s ASN 61 CO 0.00 -0.12 1.96 1.55 -2.79 0.00 0.00 177.10 177.69 1d2s h PRO 62 N 7.52 0.00 0.00 0.43 0.13 -1.93 -0.75 132.00 137.41 1d2s h PRO 62 Ca -0.16 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.80 1d2s h PRO 62 Cb 1.12 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.22 1d2s h PRO 62 CO 0.08 0.00 -0.91 -0.22 -0.23 0.00 0.00 178.00 176.72 1d2s h LYS 63 N 0.00 0.01 0.00 0.86 3.64 -1.97 -3.44 116.57 115.66 1d2s h LYS 63 Ca 0.00 -0.01 -0.17 0.00 -1.27 0.00 0.00 60.65 59.20 1d2s h LYS 63 Cb 0.44 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.23 1d2s h LYS 63 CO 0.00 1.01 -2.06 -0.25 -2.27 0.00 0.00 179.45 175.87 1d2s n ASP 64 N -4.47 0.58 -3.26 4.20 8.00 -1.12 -4.86 116.55 115.63 1d2s n ASP 64 Ca -0.26 0.00 -0.17 0.00 0.71 0.00 0.00 54.79 55.07 1d2s n ASP 64 Cb 0.63 1.40 -0.07 0.00 -0.02 0.00 0.00 41.12 43.06 1d2s n ASP 64 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1d2s s ASP 65 N -4.73 0.71 0.19 -2.24 2.15 -0.30 -3.95 116.67 108.50 1d2s s ASP 65 Ca -0.08 -2.00 -0.01 0.00 0.43 0.00 0.00 52.55 50.89 1d2s s ASP 65 Cb 0.09 0.56 -0.04 0.00 -0.30 0.00 0.00 42.92 43.23 1d2s s ASP 65 CO 0.77 -0.19 0.10 -1.66 -0.17 0.00 0.00 175.17 174.01 1d2s s TRP 66 N 0.96 1.12 -0.19 -5.34 1.48 0.27 -1.12 118.94 116.13 1d2s s TRP 66 Ca 0.24 -1.31 -0.16 0.00 -1.06 0.00 0.00 56.10 53.81 1d2s s TRP 66 Cb -0.07 -0.58 0.05 0.00 -1.16 0.00 0.00 33.47 31.71 1d2s s TRP 66 CO -0.07 -0.56 0.49 0.12 -4.06 0.00 0.00 176.95 172.87 1d2s s PHE 67 N -4.07 -0.57 -0.02 1.66 5.36 0.48 -0.81 117.98 120.00 1d2s s PHE 67 Ca 0.34 1.35 0.03 0.00 -0.96 0.00 0.00 56.93 57.69 1d2s s PHE 67 Cb 0.07 0.21 -0.00 0.00 -0.34 0.00 0.00 43.02 42.96 1d2s s PHE 67 CO 0.09 -0.28 -0.11 1.41 -1.46 0.00 0.00 175.22 174.87 1d2s s MET 68 N 0.46 1.00 -0.20 10.12 -2.45 0.56 -0.41 119.30 128.38 1d2s s MET 68 Ca -0.02 -0.38 -0.03 0.00 -1.25 0.00 0.00 55.69 54.02 1d2s s MET 68 Cb -0.04 -0.95 -0.01 0.00 1.25 0.00 0.00 34.83 35.09 1d2s s MET 68 CO -0.02 0.19 -0.08 -1.17 1.05 0.00 0.00 175.02 174.99 1d2s s LEU 69 N -0.05 2.77 0.00 4.11 2.96 0.03 -1.38 118.68 127.12 1d2s s LEU 69 Ca 0.01 -0.41 0.00 0.00 -0.22 0.00 0.00 54.13 53.51 1d2s s LEU 69 Cb -0.07 -1.68 -0.00 0.00 0.50 0.00 0.00 46.19 44.94 1d2s s LEU 69 CO 0.00 0.02 0.14 0.61 -1.32 0.00 0.00 176.35 175.80 1d2s n GLY 70 N 4.53 3.09 3.42 7.98 0.00 -0.04 -0.60 105.19 123.57 1d2s n GLY 70 Ca -0.19 -1.55 -0.32 0.00 0.00 0.00 0.00 46.02 43.97 1d2s n GLY 70 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1d2s s LEU 71 N 0.00 2.48 -0.10 0.99 1.43 0.56 -0.75 118.68 123.28 1d2s s LEU 71 Ca 0.11 -0.34 -0.04 0.00 -1.03 0.00 0.00 54.13 52.82 1d2s s LEU 71 Cb -0.00 -1.47 0.05 0.00 0.03 0.00 0.00 46.19 44.80 1d2s s LEU 71 CO 0.08 0.31 0.22 -0.60 0.23 0.00 0.00 176.35 176.59 1d2s s ARG 72 N -0.87 0.13 -1.47 1.70 3.52 -0.03 -1.73 118.95 120.20 1d2s s ARG 72 Ca 0.12 0.58 -0.11 0.00 -0.13 0.00 0.00 55.73 56.19 1d2s s ARG 72 Cb -0.10 -0.14 0.05 0.00 -1.56 0.00 0.00 34.95 33.20 1d2s s ARG 72 CO 0.01 -0.23 0.91 -0.25 -0.81 0.00 0.00 175.30 174.93 1d2s n ASP 73 N 4.82 -5.31 0.00 -2.12 8.00 -0.84 -1.63 116.55 119.47 1d2s n ASP 73 Ca -0.15 -0.59 0.00 0.00 0.71 0.00 0.00 54.79 54.76 1d2s n ASP 73 Cb 0.51 -4.24 0.00 0.00 -0.02 0.00 0.00 41.12 37.37 1d2s n ASP 73 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1d2s n GLY 74 N -1.68 2.82 3.87 0.44 0.00 0.22 -4.93 105.19 105.93 1d2s n GLY 74 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1d2s n GLY 74 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1d2s s ARG 75 N -0.10 3.20 0.39 1.61 0.52 -0.65 0.34 118.95 124.27 1d2s s ARG 75 Ca 0.00 -0.62 -0.24 0.00 -0.52 0.00 0.00 55.73 54.35 1d2s s ARG 75 Cb 0.00 -2.87 -0.12 0.00 0.52 0.00 0.00 34.95 32.48 1d2s s ARG 75 CO 0.00 0.56 0.84 -2.30 0.02 0.00 0.00 175.30 174.42 1d2s n PRO 76 N 0.02 1.03 -3.95 3.54 -0.02 -1.21 -0.85 135.00 133.57 1d2s n PRO 76 Ca -0.07 0.37 -0.17 0.00 -2.02 0.00 0.00 63.50 61.62 1d2s n PRO 76 Cb 0.52 -1.79 -0.16 0.00 -0.02 0.00 0.00 33.50 32.06 1d2s n PRO 76 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1d2s s GLU 77 N -1.76 0.31 -0.17 -0.52 2.12 0.07 -1.75 118.70 117.00 1d2s s GLU 77 Ca 0.63 0.04 -0.04 0.00 0.36 0.00 0.00 54.97 55.96 1d2s s GLU 77 Cb -0.61 -0.45 -0.03 0.00 0.26 0.00 0.00 34.13 33.30 1d2s s GLU 77 CO 0.58 -0.10 -0.03 0.42 -0.54 0.00 0.00 175.26 175.59 1d2s s ILE 78 N 0.84 3.91 -0.09 -3.70 1.01 0.40 -0.86 121.20 122.71 1d2s s ILE 78 Ca -0.09 -0.35 0.01 0.00 0.00 0.00 0.00 60.65 60.23 1d2s s ILE 78 Cb -0.12 -2.73 -0.02 0.00 0.01 0.00 0.00 42.46 39.60 1d2s s ILE 78 CO -0.01 0.48 -0.11 -1.10 0.00 0.00 0.00 174.94 174.19 1d2s s GLN 79 N 0.51 2.92 -0.03 2.79 -0.21 -0.48 -0.85 119.66 124.32 1d2s s GLN 79 Ca -0.03 -0.64 -0.02 0.00 0.02 0.00 0.00 55.36 54.69 1d2s s GLN 79 Cb -0.14 -2.55 0.01 0.00 1.00 0.00 0.00 33.01 31.33 1d2s s GLN 79 CO 0.03 0.48 0.07 -1.17 -2.12 0.00 0.00 175.29 172.57 1d2s s LEU 80 N -0.33 1.62 -0.12 2.90 0.20 -0.60 -0.33 118.68 122.02 1d2s s LEU 80 Ca 0.04 0.14 -0.04 0.00 0.69 0.00 0.00 54.13 54.96 1d2s s LEU 80 Cb -0.13 0.21 0.06 0.00 -0.43 0.00 0.00 46.19 45.90 1d2s s LEU 80 CO 0.02 -0.04 0.14 -2.28 -0.29 0.00 0.00 176.35 173.90 1d2s s HIS 81 N 0.21 -0.06 0.00 5.38 2.46 0.01 -1.25 115.29 122.04 1d2s s HIS 81 Ca -0.01 0.22 0.00 0.00 0.47 0.00 0.00 55.06 55.73 1d2s s HIS 81 Cb -0.02 -0.44 0.00 0.00 -0.13 0.00 0.00 32.58 31.99 1d2s s HIS 81 CO -0.01 -0.39 0.00 0.27 -2.47 0.00 0.00 174.74 172.14 1d2s n ASN 82 N 5.31 0.00 0.26 9.88 0.23 -0.27 -0.56 115.26 130.10 1d2s n ASN 82 Ca -0.05 -0.78 0.12 0.00 -0.53 0.00 0.00 54.58 53.33 1d2s n ASN 82 Cb 0.50 0.00 0.71 0.00 -2.08 0.00 0.00 39.78 38.91 1d2s n ASN 82 CO 0.00 0.00 0.00 0.45 -0.93 0.00 0.00 177.26 176.78 1d2s h HIS 83 N 0.78 0.00 0.00 -2.53 3.86 -1.92 -3.21 115.15 112.13 1d2s h HIS 83 Ca 0.00 0.00 -0.21 0.00 -1.16 0.00 0.00 60.37 59.00 1d2s h HIS 83 Cb 0.00 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.43 1d2s h HIS 83 CO 0.00 0.12 -2.11 0.91 0.86 0.00 0.00 177.93 177.70 1d2s n TRP 84 N -3.77 0.00 -3.63 2.45 8.01 -1.26 -5.04 117.44 114.20 1d2s n TRP 84 Ca -0.02 0.00 -0.15 0.00 -1.31 0.00 0.00 57.50 56.02 1d2s n TRP 84 Cb 0.22 -0.73 -0.07 0.00 -2.01 0.00 0.00 31.31 28.72 1d2s n TRP 84 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1d2s s ALA 85 N -2.79 -1.56 -0.13 6.99 0.00 -1.21 -4.88 121.76 118.18 1d2s s ALA 85 Ca -0.08 1.51 -0.01 0.00 0.00 0.00 0.00 51.96 53.37 1d2s s ALA 85 Cb 0.08 -0.62 0.04 0.00 0.00 0.00 0.00 23.12 22.62 1d2s s ALA 85 CO 0.77 -0.32 -0.01 -0.65 0.00 0.00 0.00 175.76 175.55 1d2s s GLN 86 N -0.28 0.94 0.08 0.00 1.11 -1.26 -1.12 119.66 119.13 1d2s s GLN 86 Ca -0.05 -0.20 -0.17 0.00 0.01 0.00 0.00 55.36 54.95 1d2s s GLN 86 Cb -0.03 -1.55 0.04 0.00 -1.01 0.00 0.00 33.01 30.45 1d2s s GLN 86 CO 0.04 -0.40 0.41 -0.48 0.01 0.00 0.00 175.29 174.87 1d2s s LEU 87 N 1.83 0.37 -0.22 2.90 0.05 -0.38 -5.00 118.68 118.24 1d2s s LEU 87 Ca 0.03 -0.13 -0.02 0.00 0.05 0.00 0.00 54.13 54.06 1d2s s LEU 87 Cb -0.14 1.81 0.07 0.00 -2.05 0.00 0.00 46.19 45.88 1d2s s LEU 87 CO -0.07 -0.75 0.03 -0.89 -0.55 0.00 0.00 176.35 174.12 1d2s s THR 88 N -3.06 0.71 -0.04 5.48 2.01 -1.26 -1.55 115.64 117.93 1d2s s THR 88 Ca -0.02 -0.78 0.02 0.00 0.31 0.00 0.00 61.69 61.22 1d2s s THR 88 Cb 0.00 -1.23 0.02 0.00 0.01 0.00 0.00 72.50 71.30 1d2s s THR 88 CO -0.07 -0.27 -0.07 -0.69 -0.69 0.00 0.00 174.62 172.84 1d2s s VAL 89 N 1.76 0.68 -0.01 3.82 1.01 -0.03 -5.00 120.40 122.64 1d2s s VAL 89 Ca -0.00 -0.23 0.00 0.00 0.00 0.00 0.00 61.98 61.76 1d2s s VAL 89 Cb -0.17 -0.67 -0.04 0.00 0.00 0.00 0.00 36.38 35.50 1d2s s VAL 89 CO -0.11 0.25 0.03 -0.83 0.00 0.00 0.00 175.10 174.45 1d2s s GLY 90 N 0.74 1.93 0.12 4.51 0.00 -1.26 -0.46 107.32 112.91 1d2s s GLY 90 Ca -0.11 -0.91 -0.25 0.00 0.00 0.00 0.00 44.72 43.45 1d2s s GLY 90 CO 0.01 -0.77 0.80 0.00 0.00 0.00 0.00 173.10 173.14 1d2s s ALA 91 N -1.11 -1.62 0.00 3.20 0.00 -0.72 -4.99 121.76 116.51 1d2s s ALA 91 Ca 0.20 0.44 0.00 0.00 0.00 0.00 0.00 51.96 52.61 1d2s s ALA 91 Cb -0.12 0.67 0.00 0.00 0.00 0.00 0.00 23.12 23.67 1d2s s ALA 91 CO 0.11 -0.85 0.00 0.41 0.00 0.00 0.00 175.76 175.43 1d2s n GLY 92 N -0.37 -1.53 3.89 0.00 0.00 -1.26 -3.30 105.19 102.62 1d2s n GLY 92 Ca -0.10 -1.55 -0.29 0.00 0.00 0.00 0.00 46.02 44.08 1d2s n GLY 92 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1d2s s PRO 93 N -1.70 2.44 0.32 1.61 0.04 -1.26 -4.72 135.00 131.73 1d2s s PRO 93 Ca 0.00 0.25 -0.29 0.00 0.04 0.00 0.00 61.00 61.00 1d2s s PRO 93 Cb 0.00 -2.01 -0.11 0.00 0.04 0.00 0.00 34.50 32.42 1d2s s PRO 93 CO 0.00 -1.27 1.45 1.03 0.04 0.00 0.00 177.00 178.25 1d2s s ARG 94 N -5.43 4.21 0.00 4.56 0.52 -1.26 -4.28 118.95 117.26 1d2s s ARG 94 Ca 0.60 2.43 0.11 0.00 -0.52 0.00 0.00 55.73 58.34 1d2s s ARG 94 Cb -0.11 -3.03 0.22 0.00 0.52 0.00 0.00 34.95 32.55 1d2s s ARG 94 CO 0.50 -0.44 1.10 1.28 0.02 0.00 0.00 175.30 177.76 1d2s n LEU 95 N 1.26 2.53 -2.36 2.53 4.77 0.15 -4.73 117.00 121.17 1d2s n LEU 95 Ca 0.03 -1.61 -0.34 0.00 -0.03 0.00 0.00 56.01 54.07 1d2s n LEU 95 Cb 0.40 -0.14 0.07 0.00 -2.33 0.00 0.00 43.42 41.41 1d2s n LEU 95 CO 0.62 0.59 1.45 -0.90 -1.33 0.00 0.00 177.39 177.82 1d2s n ASP 96 N 0.55 7.55 -1.38 -1.43 5.75 -1.24 -4.39 116.55 121.97 1d2s n ASP 96 Ca 0.10 -3.71 0.09 0.00 -0.01 0.00 0.00 54.79 51.25 1d2s n ASP 96 Cb 0.37 -1.00 0.32 0.00 -1.03 0.00 0.00 41.12 39.78 1d2s n ASP 96 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 1d2s n ASP 97 N -0.72 4.49 -0.58 -1.12 5.68 -1.17 -4.35 116.55 118.78 1d2s n ASP 97 Ca 0.58 -2.53 -0.08 0.00 -0.50 0.00 0.00 54.79 52.26 1d2s n ASP 97 Cb 0.60 -0.54 -0.03 0.00 -1.14 0.00 0.00 41.12 40.01 1d2s n ASP 97 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1d2s n GLY 98 N 0.73 0.85 3.63 6.12 0.00 -0.52 -5.01 105.19 110.98 1d2s n GLY 98 Ca 0.23 -0.15 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 1d2s n GLY 98 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1d2s s ARG 99 N -2.37 2.38 0.13 1.61 0.52 -1.26 -4.74 118.95 115.21 1d2s s ARG 99 Ca 0.00 -0.89 -0.31 0.00 -0.52 0.00 0.00 55.73 54.01 1d2s s ARG 99 Cb 0.00 -2.44 -0.08 0.00 0.52 0.00 0.00 34.95 32.95 1d2s s ARG 99 CO 0.00 0.54 1.38 -1.58 0.02 0.00 0.00 175.30 175.65 1d2s s TRP 100 N -1.22 3.25 -0.05 -0.53 0.52 -1.26 -4.44 118.94 115.22 1d2s s TRP 100 Ca 0.22 0.99 0.06 0.00 0.02 0.00 0.00 56.10 57.40 1d2s s TRP 100 Cb -0.11 -3.67 -0.01 0.00 -1.15 0.00 0.00 33.47 28.53 1d2s s TRP 100 CO 0.14 -2.30 -0.23 -1.01 0.02 0.00 0.00 176.95 173.58 1d2s s HIS 101 N 0.96 2.18 -0.07 -1.98 3.76 -0.18 -4.94 115.29 115.03 1d2s s HIS 101 Ca 0.63 -0.60 -0.25 0.00 -0.15 0.00 0.00 55.06 54.69 1d2s s HIS 101 Cb -0.37 -1.43 -0.03 0.00 1.11 0.00 0.00 32.58 31.86 1d2s s HIS 101 CO 0.31 -0.17 0.78 -1.14 -0.85 0.00 0.00 174.74 173.67 1d2s s GLN 102 N -0.18 4.44 -0.03 1.40 0.74 -1.26 -1.53 119.66 123.25 1d2s s GLN 102 Ca -0.01 1.01 0.04 0.00 0.05 0.00 0.00 55.36 56.44 1d2s s GLN 102 Cb -0.12 -3.47 -0.00 0.00 1.10 0.00 0.00 33.01 30.52 1d2s s GLN 102 CO 0.02 -0.02 -0.13 0.08 -0.55 0.00 0.00 175.29 174.70 1d2s s VAL 103 N 1.04 1.05 -0.02 1.34 1.01 0.43 -0.11 120.40 125.15 1d2s s VAL 103 Ca 0.41 -0.53 0.03 0.00 0.00 0.00 0.00 61.98 61.89 1d2s s VAL 103 Cb -0.18 -0.90 -0.00 0.00 0.00 0.00 0.00 36.38 35.29 1d2s s VAL 103 CO 0.19 0.31 -0.10 -1.61 0.00 0.00 0.00 175.10 173.89 1d2s s GLU 104 N -0.02 0.93 -0.15 2.72 2.02 -0.52 -1.41 118.70 122.27 1d2s s GLU 104 Ca -0.00 -0.35 0.01 0.00 0.02 0.00 0.00 54.97 54.64 1d2s s GLU 104 Cb -0.08 -0.88 0.02 0.00 0.10 0.00 0.00 34.13 33.29 1d2s s GLU 104 CO 0.01 0.18 -0.16 0.08 0.02 0.00 0.00 175.26 175.38 1d2s s VAL 105 N -0.04 1.70 0.01 2.63 1.01 0.07 -1.00 120.40 124.78 1d2s s VAL 105 Ca 0.01 -0.72 0.02 0.00 0.00 0.00 0.00 61.98 61.28 1d2s s VAL 105 Cb -0.06 -1.57 -0.01 0.00 0.00 0.00 0.00 36.38 34.74 1d2s s VAL 105 CO 0.00 0.48 -0.07 -0.54 0.00 0.00 0.00 175.10 174.97 1d2s s LYS 106 N 1.34 0.52 0.02 2.72 1.02 -0.52 -0.98 119.74 123.87 1d2s s LYS 106 Ca 0.03 -0.42 -0.20 0.00 0.02 0.00 0.00 55.97 55.41 1d2s s LYS 106 Cb -0.13 -0.44 -0.06 0.00 -0.52 0.00 0.00 37.83 36.68 1d2s s LYS 106 CO -0.10 0.11 0.57 -1.64 -0.92 0.00 0.00 175.35 173.38 1d2s s MET 107 N -0.65 4.25 -0.33 1.68 -1.94 -0.18 -0.55 119.30 121.58 1d2s s MET 107 Ca -0.02 0.71 -0.01 0.00 -1.71 0.00 0.00 55.69 54.66 1d2s s MET 107 Cb -0.05 -3.30 0.12 0.00 2.01 0.00 0.00 34.83 33.62 1d2s s MET 107 CO 0.00 0.49 0.17 -1.21 -0.01 0.00 0.00 175.02 174.46 1d2s s GLU 108 N -0.60 0.51 7.83 2.03 0.41 -0.30 -4.92 118.70 123.67 1d2s s GLU 108 Ca 0.30 -1.08 0.00 0.00 -0.41 0.00 0.00 54.97 53.77 1d2s s GLU 108 Cb -0.19 -1.44 0.00 0.00 -1.78 0.00 0.00 34.13 30.73 1d2s s GLU 108 CO 0.18 -1.11 0.00 0.41 -0.49 0.00 0.00 175.26 174.24 1d2s n GLY 109 N 4.52 3.32 1.39 -1.39 0.00 -1.26 -1.29 105.19 110.48 1d2s n GLY 109 Ca 0.04 -0.09 0.11 0.00 0.00 0.00 0.00 46.02 46.08 1d2s n GLY 109 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1d2s n ASP 110 N 9.18 4.12 -4.79 1.61 3.85 -1.26 -4.89 116.55 124.36 1d2s n ASP 110 Ca 0.00 -2.09 -0.22 0.00 -0.71 0.00 0.00 54.79 51.77 1d2s n ASP 110 Cb 0.00 -0.51 -0.05 0.00 -1.35 0.00 0.00 41.12 39.22 1d2s n ASP 110 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.20 175.75 1d2s s SER 111 N -0.98 5.32 -0.19 -1.12 0.01 -0.41 -1.00 113.70 115.33 1d2s s SER 111 Ca 0.49 -0.35 -0.01 0.00 1.31 0.00 0.00 55.95 57.39 1d2s s SER 111 Cb 0.27 -1.26 0.00 0.00 0.21 0.00 0.00 66.02 65.23 1d2s s SER 111 CO 0.31 -0.06 -0.12 -0.69 0.41 0.00 0.00 173.24 173.10 1d2s s VAL 112 N -2.18 2.81 -0.02 3.43 1.01 -0.32 -1.14 120.40 123.99 1d2s s VAL 112 Ca 0.33 -0.70 -0.01 0.00 0.00 0.00 0.00 61.98 61.61 1d2s s VAL 112 Cb -0.07 -2.23 -0.04 0.00 0.00 0.00 0.00 36.38 34.04 1d2s s VAL 112 CO 0.24 0.49 0.06 -0.76 0.00 0.00 0.00 175.10 175.13 1d2s s LEU 113 N 1.17 3.83 -0.15 3.92 1.02 0.28 -0.36 118.68 128.40 1d2s s LEU 113 Ca 0.02 0.14 0.01 0.00 0.02 0.00 0.00 54.13 54.31 1d2s s LEU 113 Cb -0.14 -2.18 0.02 0.00 0.02 0.00 0.00 46.19 43.91 1d2s s LEU 113 CO -0.04 0.29 -0.16 -0.22 0.02 0.00 0.00 176.35 176.24 1d2s s LEU 114 N -1.60 1.78 -0.07 1.79 2.96 -0.14 -1.44 118.68 121.96 1d2s s LEU 114 Ca 0.21 -0.51 0.03 0.00 -0.22 0.00 0.00 54.13 53.64 1d2s s LEU 114 Cb -0.12 -1.23 -0.02 0.00 0.50 0.00 0.00 46.19 45.32 1d2s s LEU 114 CO 0.12 -0.03 -0.17 -0.70 -1.32 0.00 0.00 176.35 174.24 1d2s s GLU 115 N 1.38 2.74 -0.10 1.98 2.12 -0.17 -0.80 118.70 125.84 1d2s s GLU 115 Ca 0.03 -0.76 0.01 0.00 0.36 0.00 0.00 54.97 54.61 1d2s s GLU 115 Cb -0.13 -2.37 0.02 0.00 0.26 0.00 0.00 34.13 31.91 1d2s s GLU 115 CO -0.10 0.44 -0.11 0.08 -0.54 0.00 0.00 175.26 175.03 1d2s s VAL 116 N -0.28 1.22 -1.60 3.70 1.01 0.17 -1.44 120.40 123.18 1d2s s VAL 116 Ca 0.01 -0.45 -0.13 0.00 0.00 0.00 0.00 61.98 61.41 1d2s s VAL 116 Cb -0.13 -1.16 0.11 0.00 0.00 0.00 0.00 36.38 35.20 1d2s s VAL 116 CO 0.03 0.39 0.74 0.47 0.00 0.00 0.00 175.10 176.73 1d2s n ASP 117 N 4.49 -2.91 0.00 3.32 10.43 0.84 -0.79 116.55 131.93 1d2s n ASP 117 Ca -0.17 -0.97 0.00 0.00 2.57 0.00 0.00 54.79 56.22 1d2s n ASP 117 Cb 0.51 -3.05 0.00 0.00 1.84 0.00 0.00 41.12 40.42 1d2s n ASP 117 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1d2s n GLY 118 N -1.59 1.48 3.43 0.44 0.00 -1.26 -5.01 105.19 102.68 1d2s n GLY 118 Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 1d2s n GLY 118 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1d2s s GLU 119 N -0.25 2.95 0.05 1.61 -1.05 0.03 -5.07 118.70 116.97 1d2s s GLU 119 Ca 0.00 -0.69 -0.31 0.00 -0.15 0.00 0.00 54.97 53.83 1d2s s GLU 119 Cb 0.00 -2.51 -0.08 0.00 -0.44 0.00 0.00 34.13 31.10 1d2s s GLU 119 CO 0.00 0.42 1.61 -2.00 0.95 0.00 0.00 175.26 176.24 1d2s s GLU 120 N -0.19 4.21 0.00 -4.83 2.12 -1.26 -0.66 118.70 118.09 1d2s s GLU 120 Ca 0.00 2.27 0.02 0.00 0.36 0.00 0.00 54.97 57.62 1d2s s GLU 120 Cb -0.13 -3.62 -0.01 0.00 0.26 0.00 0.00 34.13 30.63 1d2s s GLU 120 CO 0.03 -0.72 0.23 1.33 -0.54 0.00 0.00 175.26 175.60 1d2s n VAL 121 N 4.76 0.00 -3.62 3.70 0.24 0.02 -4.94 118.33 118.49 1d2s n VAL 121 Ca 0.15 -0.46 -0.14 0.00 -2.04 0.00 0.00 64.34 61.86 1d2s n VAL 121 Cb 0.41 1.02 -0.07 0.00 -1.47 0.00 0.00 33.84 33.73 1d2s n VAL 121 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1d2s s LEU 122 N -1.61 -0.69 -0.20 1.34 2.96 -1.13 -4.39 118.68 114.96 1d2s s LEU 122 Ca 0.01 1.26 -0.04 0.00 -0.22 0.00 0.00 54.13 55.15 1d2s s LEU 122 Cb 0.02 2.38 0.07 0.00 0.50 0.00 0.00 46.19 49.16 1d2s s LEU 122 CO 0.08 -0.28 0.08 -0.60 -1.32 0.00 0.00 176.35 174.31 1d2s s ARG 123 N 0.15 0.31 -0.62 1.98 3.52 -1.26 -0.96 118.95 122.07 1d2s s ARG 123 Ca -0.01 -0.29 -0.22 0.00 -0.13 0.00 0.00 55.73 55.08 1d2s s ARG 123 Cb -0.04 -1.87 0.07 0.00 -1.56 0.00 0.00 34.95 31.54 1d2s s ARG 123 CO 0.01 -0.71 0.91 -0.51 -0.81 0.00 0.00 175.30 174.19 1d2s s LEU 124 N 2.01 4.47 0.38 -0.88 1.43 0.51 -4.94 118.68 121.66 1d2s s LEU 124 Ca 0.02 -0.91 -0.09 0.00 -1.03 0.00 0.00 54.13 52.13 1d2s s LEU 124 Cb -0.16 -2.49 -0.06 0.00 0.03 0.00 0.00 46.19 43.51 1d2s s LEU 124 CO -0.12 -1.33 0.71 -0.13 0.23 0.00 0.00 176.35 175.71 1d2s s ARG 125 N 3.80 3.72 -1.30 1.70 0.52 -1.26 -1.17 118.95 124.96 1d2s s ARG 125 Ca 0.22 0.32 -0.07 0.00 -0.52 0.00 0.00 55.73 55.69 1d2s s ARG 125 Cb -0.17 -2.46 0.01 0.00 0.52 0.00 0.00 34.95 32.85 1d2s s ARG 125 CO 0.12 0.02 0.86 1.04 0.02 0.00 0.00 175.30 177.36 1d2s n GLN 126 N -1.28 -6.11 0.00 3.54 6.02 -1.14 -4.90 117.38 113.51 1d2s n GLN 126 Ca 0.01 0.78 0.03 0.00 -0.01 0.00 0.00 57.00 57.82 1d2s n GLN 126 Cb 0.54 -5.54 -0.04 0.00 1.02 0.00 0.00 30.24 26.22 1d2s n GLN 126 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 1d2s n VAL 127 N -4.63 0.00 -3.79 5.09 0.24 -0.17 -4.72 118.33 110.35 1d2s n VAL 127 Ca -0.04 -0.33 -0.17 0.00 -2.04 0.00 0.00 64.34 61.76 1d2s n VAL 127 Cb 0.58 1.00 -0.17 0.00 -1.47 0.00 0.00 33.84 33.79 1d2s n VAL 127 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1d2s s SER 128 N -1.67 0.56 0.00 -1.34 0.15 -0.62 -4.48 113.70 106.30 1d2s s SER 128 Ca 0.03 0.02 0.00 0.00 0.70 0.00 0.00 55.95 56.70 1d2s s SER 128 Cb 0.06 -0.16 0.00 0.00 -1.71 0.00 0.00 66.02 64.21 1d2s s SER 128 CO 0.30 -0.16 0.00 0.61 1.20 0.00 0.00 173.24 175.19 1d2s n GLY 129 N 4.54 -0.45 0.00 9.45 0.00 -1.26 -4.36 105.19 113.12 1d2s n GLY 129 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1d2s n GLY 129 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1d2s n HIS 136 N -2.12 0.00 0.20 1.61 -0.00 -1.26 -5.07 115.22 108.58 1d2s n HIS 136 Ca 0.00 0.00 0.07 0.00 -0.00 0.00 0.00 57.72 57.79 1d2s n HIS 136 Cb 0.00 0.00 0.35 0.00 -0.00 0.00 0.00 29.99 30.34 1d2s n HIS 136 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1d2s h PRO 137 N 0.00 0.00 -5.31 -0.41 0.13 -1.96 -3.44 132.00 121.01 1d2s h PRO 137 Ca 0.00 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.59 1d2s h PRO 137 Cb 0.00 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 30.82 1d2s h PRO 137 CO 0.00 0.32 -0.83 0.42 -0.23 0.00 0.00 178.00 177.68 1d2s s ILE 138 N -3.56 1.35 -0.11 -3.56 1.01 -1.26 -0.52 121.20 114.55 1d2s s ILE 138 Ca 0.01 -0.69 -0.00 0.00 0.00 0.00 0.00 60.65 59.97 1d2s s ILE 138 Cb 0.10 -1.15 -0.02 0.00 0.01 0.00 0.00 42.46 41.40 1d2s s ILE 138 CO 0.67 0.39 -0.09 -0.32 0.00 0.00 0.00 174.94 175.59 1d2s s MET 139 N -0.05 3.17 -0.08 2.79 -2.45 -0.28 -4.40 119.30 118.01 1d2s s MET 139 Ca -0.01 -0.60 -0.01 0.00 -1.25 0.00 0.00 55.69 53.81 1d2s s MET 139 Cb -0.10 -2.66 -0.03 0.00 1.25 0.00 0.00 34.83 33.28 1d2s s MET 139 CO 0.01 0.40 -0.02 1.03 1.05 0.00 0.00 175.02 177.49 1d2s s ARG 140 N -0.11 2.91 -0.15 4.11 0.52 0.06 -0.22 118.95 126.06 1d2s s ARG 140 Ca 0.00 -0.45 0.01 0.00 -0.52 0.00 0.00 55.73 54.77 1d2s s ARG 140 Cb -0.13 -2.73 -0.00 0.00 0.52 0.00 0.00 34.95 32.61 1d2s s ARG 140 CO 0.03 0.69 -0.17 0.42 0.02 0.00 0.00 175.30 176.29 1d2s s ILE 141 N -0.87 2.55 -0.10 1.52 -1.09 0.61 -1.22 121.20 122.60 1d2s s ILE 141 Ca 0.13 -0.82 0.02 0.00 -2.23 0.00 0.00 60.65 57.75 1d2s s ILE 141 Cb -0.11 -2.06 -0.02 0.00 -1.58 0.00 0.00 42.46 38.69 1d2s s ILE 141 CO 0.02 0.53 -0.15 0.00 -1.23 0.00 0.00 174.94 174.10 1d2s s ALA 142 N 0.73 2.55 -0.22 9.38 0.00 0.66 -0.49 121.76 134.39 1d2s s ALA 142 Ca -0.07 -0.93 -0.10 0.00 0.00 0.00 0.00 51.96 50.86 1d2s s ALA 142 Cb -0.16 -1.07 -0.05 0.00 0.00 0.00 0.00 23.12 21.84 1d2s s ALA 142 CO 0.01 0.35 0.14 -0.51 0.00 0.00 0.00 175.76 175.74 1d2s s LEU 143 N 0.03 4.12 -0.10 0.00 1.43 -0.48 -0.56 118.68 123.12 1d2s s LEU 143 Ca -0.05 0.15 0.00 0.00 -1.03 0.00 0.00 54.13 53.20 1d2s s LEU 143 Cb -0.15 -2.08 0.00 0.00 0.03 0.00 0.00 46.19 43.99 1d2s s LEU 143 CO 0.05 0.12 0.00 0.61 0.23 0.00 0.00 176.35 177.36 1d2s n GLY 144 N 3.90 0.45 3.84 -3.19 0.00 0.02 -0.86 105.19 109.35 1d2s n GLY 144 Ca -0.16 -0.15 0.01 0.00 0.00 0.00 0.00 46.02 45.72 1d2s n GLY 144 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1d2s s GLY 145 N -2.18 -0.16 0.43 -0.02 0.00 -1.26 -4.39 107.32 99.75 1d2s s GLY 145 Ca 0.00 0.13 0.08 0.00 0.00 0.00 0.00 44.72 44.93 1d2s s GLY 145 CO 0.00 2.93 0.46 1.08 0.00 0.00 0.00 173.10 177.58 1d2s s LEU 146 N -3.42 3.44 -0.26 0.66 1.43 -1.26 -4.09 118.68 115.17 1d2s s LEU 146 Ca 0.22 -0.67 0.11 0.00 -1.03 0.00 0.00 54.13 52.77 1d2s s LEU 146 Cb 0.00 -2.19 0.52 0.00 0.03 0.00 0.00 46.19 44.55 1d2s s LEU 146 CO 0.00 -0.74 1.48 0.18 0.23 0.00 0.00 176.35 177.49 1d2s n LEU 147 N -1.69 4.19 -3.68 1.79 4.77 -1.26 -4.54 117.00 116.57 1d2s n LEU 147 Ca 0.05 -3.49 -0.10 0.00 -0.03 0.00 0.00 56.01 52.44 1d2s n LEU 147 Cb 0.61 -0.62 -0.04 0.00 -2.33 0.00 0.00 43.42 41.04 1d2s n LEU 147 CO 0.41 1.04 0.22 0.72 -1.33 0.00 0.00 177.39 178.45 1d2s s PHE 148 N -3.10 -0.16 0.62 -1.77 -0.00 -1.26 -4.96 117.98 107.36 1d2s s PHE 148 Ca 0.44 -0.17 -0.19 0.00 -0.00 0.00 0.00 56.93 57.02 1d2s s PHE 148 Cb 0.39 0.33 -0.02 0.00 -0.00 0.00 0.00 43.02 43.71 1d2s s PHE 148 CO 0.04 -0.81 1.27 -2.14 -0.00 0.00 0.00 175.22 173.58 1d2s s PRO 149 N -3.84 2.71 0.53 1.99 0.02 -1.26 -4.88 135.00 130.26 1d2s s PRO 149 Ca 0.06 2.01 0.27 0.00 0.02 0.00 0.00 61.00 63.37 1d2s s PRO 149 Cb 0.00 -1.90 1.46 0.00 0.02 0.00 0.00 34.50 34.09 1d2s s PRO 149 CO -0.07 -1.46 2.08 0.00 -0.33 0.00 0.00 177.00 177.22 1d2s h ALA 150 N 0.71 1.29 0.00 -1.55 0.00 -1.97 -0.76 119.26 116.98 1d2s h ALA 150 Ca -0.51 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1d2s h ALA 150 Cb 1.32 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1d2s h ALA 150 CO 0.54 0.14 0.00 -1.13 0.00 0.00 0.00 179.25 178.80 1d2s n SER 151 N -3.65 0.38 -0.24 0.00 3.41 -1.26 -2.44 113.62 109.82 1d2s n SER 151 Ca -0.02 0.63 0.13 0.00 -0.26 0.00 0.00 58.87 59.35 1d2s n SER 151 Cb 0.23 -0.70 0.36 0.00 -0.26 0.00 0.00 64.21 63.84 1d2s n SER 151 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1d2s n ASN 152 N -1.97 1.03 -4.70 4.04 3.02 -0.29 -4.84 115.26 111.55 1d2s n ASN 152 Ca 0.01 -0.88 -0.31 0.00 -0.03 0.00 0.00 54.58 53.37 1d2s n ASN 152 Cb 0.11 0.15 0.14 0.00 -0.61 0.00 0.00 39.78 39.57 1d2s n ASN 152 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1d2s s LEU 153 N -2.52 2.64 0.23 3.41 1.43 -1.02 -4.93 118.68 117.92 1d2s s LEU 153 Ca 0.24 1.87 -0.07 0.00 -1.03 0.00 0.00 54.13 55.15 1d2s s LEU 153 Cb 0.19 -4.34 0.22 0.00 0.03 0.00 0.00 46.19 42.29 1d2s s LEU 153 CO 0.53 -2.72 1.83 0.03 0.23 0.00 0.00 176.35 176.25 1d2s h ARG 154 N -1.60 1.21 -3.28 1.70 3.08 -1.90 -3.37 114.38 110.23 1d2s h ARG 154 Ca -0.46 -0.17 -0.56 0.00 0.07 0.00 0.00 59.98 58.86 1d2s h ARG 154 Cb 1.26 -0.22 -0.40 0.00 0.08 0.00 0.00 29.97 30.69 1d2s h ARG 154 CO 0.48 0.92 -0.76 -1.17 -1.07 0.00 0.00 179.97 178.37 1d2s s LEU 155 N -9.82 1.61 0.63 3.04 2.96 -1.26 -5.12 118.68 110.72 1d2s s LEU 155 Ca -0.12 -1.50 -0.18 0.00 -0.22 0.00 0.00 54.13 52.10 1d2s s LEU 155 Cb 0.16 -0.67 -0.03 0.00 0.50 0.00 0.00 46.19 46.15 1d2s s LEU 155 CO 0.83 -0.42 1.08 -2.65 -1.32 0.00 0.00 176.35 173.87 1d2s n PRO 156 N 5.00 0.95 -4.16 0.98 -0.02 -1.26 -5.03 135.00 131.45 1d2s n PRO 156 Ca -0.04 0.37 -0.11 0.00 -2.02 0.00 0.00 63.50 61.71 1d2s n PRO 156 Cb 0.42 -2.30 -0.10 0.00 -0.02 0.00 0.00 33.50 31.50 1d2s n PRO 156 CO 0.00 0.00 0.00 -0.48 1.98 0.00 0.00 175.50 177.00 1d2s s LEU 157 N -2.93 1.53 -0.32 2.45 0.05 -1.26 -5.10 118.68 113.09 1d2s s LEU 157 Ca 0.79 -1.27 -0.23 0.00 0.05 0.00 0.00 54.13 53.47 1d2s s LEU 157 Cb -0.40 0.34 0.00 0.00 -2.05 0.00 0.00 46.19 44.09 1d2s s LEU 157 CO 0.44 -0.77 0.76 -0.69 -0.55 0.00 0.00 176.35 175.54 1d2s s VAL 158 N -4.09 4.80 0.45 1.48 1.01 -1.26 -4.87 120.40 117.91 1d2s s VAL 158 Ca 0.30 1.04 0.22 0.00 0.00 0.00 0.00 61.98 63.53 1d2s s VAL 158 Cb 0.07 -4.14 0.25 0.00 0.00 0.00 0.00 36.38 32.56 1d2s s VAL 158 CO 0.06 -0.28 2.05 1.55 0.00 0.00 0.00 175.10 178.47 1d2s h PRO 159 N 8.24 0.00 -6.40 2.72 0.13 -1.91 -3.32 132.00 131.45 1d2s h PRO 159 Ca -0.25 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.31 1d2s h PRO 159 Cb 1.10 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.26 1d2s h PRO 159 CO 0.88 0.14 1.06 0.00 -0.23 0.00 0.00 178.00 179.85 1d2s n ALA 160 N -2.38 1.47 -4.05 -0.56 0.00 -1.20 -0.68 120.51 113.12 1d2s n ALA 160 Ca -0.02 0.32 -0.32 0.00 0.00 0.00 0.00 53.44 53.42 1d2s n ALA 160 Cb 0.23 -2.52 -0.15 0.00 0.00 0.00 0.00 19.45 17.01 1d2s n ALA 160 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1d2s s LEU 161 N 3.07 4.00 -0.99 0.00 2.96 -1.26 -4.33 118.68 122.14 1d2s s LEU 161 Ca 0.86 -1.72 -0.22 0.00 -0.22 0.00 0.00 54.13 52.83 1d2s s LEU 161 Cb -0.59 -1.58 0.07 0.00 0.50 0.00 0.00 46.19 44.59 1d2s s LEU 161 CO 0.43 -0.27 1.36 -0.62 -1.32 0.00 0.00 176.35 175.93 1d2s s ASP 162 N 1.02 6.52 0.38 3.68 2.15 -1.26 -3.53 116.67 125.62 1d2s s ASP 162 Ca -0.00 -1.56 -0.11 0.00 0.43 0.00 0.00 52.55 51.30 1d2s s ASP 162 Cb -0.20 -2.53 0.04 0.00 -0.30 0.00 0.00 42.92 39.94 1d2s s ASP 162 CO -0.06 -1.41 0.70 -0.83 -0.17 0.00 0.00 175.17 173.39 1d2s s GLY 163 N 4.60 0.75 0.16 2.66 0.00 -1.26 -4.23 107.32 109.99 1d2s s GLY 163 Ca 0.42 -1.01 0.11 0.00 0.00 0.00 0.00 44.72 44.24 1d2s s GLY 163 CO -0.09 -0.53 -0.25 0.00 0.00 0.00 0.00 173.10 172.22 1d2s s LEU 165 N -2.37 1.91 0.22 0.00 2.96 0.29 -1.64 118.68 120.05 1d2s s LEU 165 Ca 0.17 -0.21 -0.15 0.00 -0.22 0.00 0.00 54.13 53.72 1d2s s LEU 165 Cb -0.09 -0.59 0.01 0.00 0.50 0.00 0.00 46.19 46.02 1d2s s LEU 165 CO 0.08 0.11 0.50 0.00 -1.32 0.00 0.00 176.35 175.72 1d2s s ARG 166 N -0.04 1.45 -1.43 1.98 1.70 -0.71 -0.47 118.95 121.43 1d2s s ARG 166 Ca 0.00 -1.03 -0.05 0.00 -0.47 0.00 0.00 55.73 54.18 1d2s s ARG 166 Cb -0.07 0.50 0.04 0.00 -0.57 0.00 0.00 34.95 34.85 1d2s s ARG 166 CO 0.00 -0.61 0.67 0.54 -1.08 0.00 0.00 175.30 174.82 1d2s n ARG 167 N -0.35 -4.30 -3.86 3.89 1.74 -1.26 -1.40 116.66 111.12 1d2s n ARG 167 Ca -0.06 0.52 -0.32 0.00 -0.77 0.00 0.00 57.85 57.21 1d2s n ARG 167 Cb 0.62 -5.01 -0.04 0.00 -1.02 0.00 0.00 32.46 27.00 1d2s n ARG 167 CO 0.00 0.00 0.00 0.16 -1.52 0.00 0.00 177.63 176.27 1d2s s ASP 168 N -4.03 6.40 -0.20 0.55 3.84 -1.26 -4.06 116.67 117.91 1d2s s ASP 168 Ca 0.22 0.37 -0.05 0.00 -0.00 0.00 0.00 52.55 53.09 1d2s s ASP 168 Cb -0.11 -2.00 0.10 0.00 -1.38 0.00 0.00 42.92 39.52 1d2s s ASP 168 CO 0.85 0.17 0.37 -0.55 -0.00 0.00 0.00 175.17 176.01 1d2s s SER 169 N -2.32 0.11 -0.27 2.11 0.15 -0.36 -4.99 113.70 108.13 1d2s s SER 169 Ca 0.34 0.60 -0.03 0.00 0.70 0.00 0.00 55.95 57.56 1d2s s SER 169 Cb -0.13 1.10 0.03 0.00 -1.71 0.00 0.00 66.02 65.31 1d2s s SER 169 CO 0.25 -0.26 -0.02 0.26 1.20 0.00 0.00 173.24 174.67 1d2s s TRP 170 N 2.54 3.12 0.00 3.44 0.52 -1.26 -1.13 118.94 126.16 1d2s s TRP 170 Ca 0.04 -1.47 0.00 0.00 0.02 0.00 0.00 56.10 54.70 1d2s s TRP 170 Cb -0.13 -2.11 0.00 0.00 -1.15 0.00 0.00 33.47 30.07 1d2s s TRP 170 CO -0.13 -0.70 0.00 1.28 0.02 0.00 0.00 176.95 177.42 1d2s n LEU 171 N 4.71 0.00 -4.22 2.99 4.77 -0.61 -4.11 117.00 120.53 1d2s n LEU 171 Ca -0.15 0.00 -0.37 0.00 -0.03 0.00 0.00 56.01 55.46 1d2s n LEU 171 Cb 0.47 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.43 1d2s n LEU 171 CO 0.28 0.00 -0.27 -0.62 -1.33 0.00 0.00 177.39 175.45 1d2s s ASP 172 N -4.00 5.18 0.49 -1.43 -1.08 -1.22 -4.76 116.67 109.85 1d2s s ASP 172 Ca 0.00 -1.30 0.17 0.00 -0.52 0.00 0.00 52.55 50.90 1d2s s ASP 172 Cb 0.00 -1.82 1.22 0.00 -1.46 0.00 0.00 42.92 40.86 1d2s s ASP 172 CO 0.00 -0.34 2.06 0.50 0.52 0.00 0.00 175.17 177.91 1d2s h LYS 173 N 8.14 0.13 0.00 4.34 1.63 -1.95 0.87 116.57 129.74 1d2s h LYS 173 Ca -0.21 -0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 59.58 1d2s h LYS 173 Cb 1.07 -0.03 -0.00 0.00 -0.60 0.00 0.00 32.23 32.67 1d2s h LYS 173 CO 0.60 0.09 -0.01 1.96 -3.45 0.00 0.00 179.45 178.64 1d2s h GLN 174 N 0.14 0.00 -0.35 1.90 4.20 -1.93 -2.13 115.11 116.94 1d2s h GLN 174 Ca 0.14 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.85 1d2s h GLN 174 Cb 0.40 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.18 1d2s h GLN 174 CO -0.02 0.01 0.00 0.00 -0.67 0.00 0.00 178.83 178.15 1d2s n ALA 175 N -2.10 2.40 -2.21 3.87 0.00 0.29 -4.93 120.51 117.82 1d2s n ALA 175 Ca -0.01 -0.98 -0.43 0.00 0.00 0.00 0.00 53.44 52.03 1d2s n ALA 175 Cb 0.23 -0.78 -0.02 0.00 0.00 0.00 0.00 19.45 18.88 1d2s n ALA 175 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1d2s s GLU 176 N -1.38 4.21 -0.04 0.00 2.12 -0.80 -0.40 118.70 122.40 1d2s s GLU 176 Ca 0.35 1.93 -0.12 0.00 0.36 0.00 0.00 54.97 57.48 1d2s s GLU 176 Cb 0.20 -3.88 -0.31 0.00 0.26 0.00 0.00 34.13 30.41 1d2s s GLU 176 CO 0.28 -0.78 0.70 0.82 -0.54 0.00 0.00 175.26 175.75 1d2s h ILE 177 N 5.54 1.00 -2.81 -3.70 2.04 -0.35 -3.47 117.51 115.76 1d2s h ILE 177 Ca -0.33 -2.52 0.02 0.00 1.00 0.00 0.00 64.86 63.03 1d2s h ILE 177 Cb 1.14 2.80 -0.13 0.00 -0.74 0.00 0.00 36.82 39.90 1d2s h ILE 177 CO 0.96 0.84 0.28 -0.94 0.00 0.00 0.00 178.15 179.29 1d2s s SER 178 N -7.31 -0.51 0.02 1.72 1.04 -1.17 -5.00 113.70 102.50 1d2s s SER 178 Ca -0.16 -0.02 0.01 0.00 0.48 0.00 0.00 55.95 56.27 1d2s s SER 178 Cb 0.05 0.55 -0.01 0.00 0.10 0.00 0.00 66.02 66.71 1d2s s SER 178 CO 0.86 -0.89 -0.05 0.00 0.98 0.00 0.00 173.24 174.14 1d2s s ALA 179 N -3.59 0.37 0.11 5.32 0.00 -1.26 -0.72 121.76 122.00 1d2s s ALA 179 Ca 0.02 -0.42 0.01 0.00 0.00 0.00 0.00 51.96 51.57 1d2s s ALA 179 Cb -0.01 -0.01 -0.04 0.00 0.00 0.00 0.00 23.12 23.06 1d2s s ALA 179 CO -0.11 0.01 -0.02 -1.12 0.00 0.00 0.00 175.76 174.52 1d2s s SER 180 N -0.77 0.87 -0.06 0.00 0.01 0.43 -4.99 113.70 109.19 1d2s s SER 180 Ca -0.05 -1.09 -0.04 0.00 1.31 0.00 0.00 55.95 56.08 1d2s s SER 180 Cb -0.05 0.16 0.02 0.00 0.21 0.00 0.00 66.02 66.36 1d2s s SER 180 CO -0.00 -0.57 0.14 0.00 0.41 0.00 0.00 173.24 173.22 1d2s s ALA 181 N -3.77 -0.32 0.20 1.44 0.00 -1.26 -0.82 121.76 117.22 1d2s s ALA 181 Ca 0.16 0.47 0.22 0.00 0.00 0.00 0.00 51.96 52.82 1d2s s ALA 181 Cb 0.06 -0.29 0.92 0.00 0.00 0.00 0.00 23.12 23.81 1d2s s ALA 181 CO -0.02 -0.09 1.84 -1.35 0.00 0.00 0.00 175.76 176.13 1d2s h PRO 182 N 6.28 0.00 -4.43 0.00 0.11 -1.81 -3.44 132.00 128.71 1d2s h PRO 182 Ca -0.30 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.62 1d2s h PRO 182 Cb 1.18 0.00 -0.15 0.00 0.11 0.00 0.00 31.00 32.15 1d2s h PRO 182 CO 0.42 0.26 -0.61 0.95 -0.21 0.00 0.00 178.00 178.81 1d2s s THR 183 N -3.75 0.07 0.52 -1.15 -4.23 -1.26 -5.15 115.64 100.68 1d2s s THR 183 Ca -0.00 -1.90 -0.15 0.00 -1.18 0.00 0.00 61.69 58.46 1d2s s THR 183 Cb 0.11 -2.18 -0.07 0.00 1.34 0.00 0.00 72.50 71.70 1d2s s THR 183 CO 0.65 -0.30 0.96 -0.94 -0.54 0.00 0.00 174.62 174.45 1d2s s SER 184 N -3.08 6.54 0.28 3.99 1.04 -1.26 -4.97 113.70 116.24 1d2s s SER 184 Ca 0.28 1.48 -0.30 0.00 0.48 0.00 0.00 55.95 57.90 1d2s s SER 184 Cb 0.07 -2.48 -0.11 0.00 0.10 0.00 0.00 66.02 63.61 1d2s s SER 184 CO 0.05 -0.61 1.51 -0.76 0.98 0.00 0.00 173.24 174.41 1d2s s LEU 185 N -4.23 4.36 -0.20 2.42 1.43 -1.26 -5.02 118.68 116.18 1d2s s LEU 185 Ca 0.57 2.84 -0.09 0.00 -1.03 0.00 0.00 54.13 56.42 1d2s s LEU 185 Cb -0.10 -3.63 -0.05 0.00 0.03 0.00 0.00 46.19 42.44 1d2s s LEU 185 CO 0.35 -0.81 0.10 -0.13 0.23 0.00 0.00 176.35 176.10 1d2s s ARG 186 N -0.66 4.06 0.39 1.70 0.52 -1.26 -5.02 118.95 118.67 1d2s s ARG 186 Ca 0.60 -0.29 -0.27 0.00 -0.52 0.00 0.00 55.73 55.25 1d2s s ARG 186 Cb -0.45 -3.35 -0.09 0.00 0.52 0.00 0.00 34.95 31.58 1d2s s ARG 186 CO 0.48 0.23 1.30 0.45 0.02 0.00 0.00 175.30 177.77 1d2s s SER 187 N 0.53 6.44 0.00 0.23 0.15 -1.26 -1.13 113.70 118.66 1d2s s SER 187 Ca 0.06 2.64 0.27 0.00 0.70 0.00 0.00 55.95 59.62 1d2s s SER 187 Cb -0.12 -2.64 0.84 0.00 -1.71 0.00 0.00 66.02 62.39 1d2s s SER 187 CO 0.00 -0.76 1.63 0.00 1.20 0.00 0.00 173.24 175.31