#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g3g s GLU 2 N 0.00 3.59 0.00 1.61 2.02 -1.26 -5.10 118.70 119.57 1g3g s GLU 2 Ca 0.00 -0.52 0.00 0.00 0.02 0.00 0.00 54.97 54.47 1g3g s GLU 2 Cb 0.00 -3.19 0.00 0.00 0.10 0.00 0.00 34.13 31.04 1g3g s GLU 2 CO 0.00 -0.13 0.00 -1.71 0.02 0.00 0.00 175.26 173.44 1g3g n ASN 3 N 4.69 0.70 -1.19 -0.19 5.15 -1.26 -5.04 115.26 118.12 1g3g n ASN 3 Ca -0.17 -0.89 0.08 0.00 -0.60 0.00 0.00 54.58 53.00 1g3g n ASN 3 Cb 0.51 0.00 0.29 0.00 -0.53 0.00 0.00 39.78 40.06 1g3g n ASN 3 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1g3g n ILE 4 N -0.58 2.05 -2.97 -1.44 3.06 -1.26 -5.03 119.36 113.20 1g3g n ILE 4 Ca 0.00 -1.49 -0.01 0.00 -2.50 0.00 0.00 62.75 58.75 1g3g n ILE 4 Cb 0.00 -0.04 -0.01 0.00 0.54 0.00 0.00 39.64 40.13 1g3g n ILE 4 CO 0.00 0.00 0.00 0.35 -2.50 0.00 0.00 176.55 174.40 1g3g n THR 5 N 0.25 -6.06 -2.99 9.51 -2.24 -1.26 -4.89 114.28 106.60 1g3g n THR 5 Ca 0.22 1.08 -0.41 0.00 -2.27 0.00 0.00 64.05 62.67 1g3g n THR 5 Cb 0.87 -4.49 -0.05 0.00 -2.10 0.00 0.00 70.33 64.56 1g3g n THR 5 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1g3g s GLN 6 N -0.99 4.15 -0.64 -0.78 0.74 -1.26 -4.97 119.66 115.91 1g3g s GLN 6 Ca -0.03 0.76 -0.29 0.00 0.05 0.00 0.00 55.36 55.85 1g3g s GLN 6 Cb 0.00 -3.65 -0.12 0.00 1.10 0.00 0.00 33.01 30.34 1g3g s GLN 6 CO 0.32 -0.48 2.49 -2.30 -0.55 0.00 0.00 175.29 174.77 1g3g n PRO 7 N 5.88 0.71 -3.81 1.67 -0.02 -1.26 -4.92 135.00 133.25 1g3g n PRO 7 Ca 0.03 0.04 -0.37 0.00 -2.02 0.00 0.00 63.50 61.18 1g3g n PRO 7 Cb 0.48 -2.69 -0.06 0.00 -0.02 0.00 0.00 33.50 31.21 1g3g n PRO 7 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1g3g s THR 8 N 10.57 5.44 0.05 3.45 2.01 -1.26 -5.00 115.64 130.91 1g3g s THR 8 Ca 1.12 0.28 0.04 0.00 0.31 0.00 0.00 61.69 63.44 1g3g s THR 8 Cb -0.61 -3.45 -0.24 0.00 0.01 0.00 0.00 72.50 68.21 1g3g s THR 8 CO 0.36 0.58 1.03 -0.61 -0.69 0.00 0.00 174.62 175.29 1g3g h GLN 9 N 5.24 0.10 0.00 4.92 -0.00 -2.07 -3.28 115.11 120.02 1g3g h GLN 9 Ca -0.52 -0.18 -0.01 0.00 -0.00 0.00 0.00 58.65 57.94 1g3g h GLN 9 Cb 1.22 0.07 -0.00 0.00 0.00 0.00 0.00 27.48 28.76 1g3g h GLN 9 CO 0.61 0.96 -0.05 1.96 0.00 0.00 0.00 178.83 182.32 1g3g h GLN 10 N 0.03 0.00 -5.77 1.69 4.20 -2.01 -3.41 115.11 109.84 1g3g h GLN 10 Ca -0.14 0.00 -0.56 0.00 0.06 0.00 0.00 58.65 58.01 1g3g h GLN 10 Cb 1.91 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.68 1g3g h GLN 10 CO 0.14 0.05 1.55 0.43 -0.67 0.00 0.00 178.83 180.32 1g3g n SER 11 N -4.13 2.39 -4.01 1.46 7.64 -1.24 -4.88 113.62 110.85 1g3g n SER 11 Ca -0.03 0.01 -0.37 0.00 1.01 0.00 0.00 58.87 59.49 1g3g n SER 11 Cb 0.13 -1.44 -0.04 0.00 -1.01 0.00 0.00 64.21 61.85 1g3g n SER 11 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1g3g n THR 12 N 7.68 3.68 -3.80 0.44 -2.24 -1.26 -5.00 114.28 113.78 1g3g n THR 12 Ca 0.38 -5.36 -0.09 0.00 -2.27 0.00 0.00 64.05 56.71 1g3g n THR 12 Cb 0.39 -2.29 -0.01 0.00 -2.10 0.00 0.00 70.33 66.32 1g3g n THR 12 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 1g3g n GLN 13 N 1.89 0.58 -2.38 -0.78 7.27 -1.26 -5.11 117.38 117.59 1g3g n GLN 13 Ca 0.24 -1.83 -0.42 0.00 0.07 0.00 0.00 57.00 55.06 1g3g n GLN 13 Cb 0.37 1.90 -0.03 0.00 2.41 0.00 0.00 30.24 34.89 1g3g n GLN 13 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1g3g s ALA 14 N -2.22 2.83 0.00 1.69 0.00 -1.26 -4.55 121.76 118.25 1g3g s ALA 14 Ca 0.18 -0.59 0.00 0.00 0.00 0.00 0.00 51.96 51.54 1g3g s ALA 14 Cb -0.01 -4.08 0.00 0.00 0.00 0.00 0.00 23.12 19.02 1g3g s ALA 14 CO 0.13 -2.87 0.00 -2.37 0.00 0.00 0.00 175.76 170.65 1g3g n THR 15 N 6.90 0.00 -0.03 0.00 5.66 -1.26 -4.82 114.28 120.73 1g3g n THR 15 Ca 0.13 0.00 -0.14 0.00 -3.05 0.00 0.00 64.05 60.99 1g3g n THR 15 Cb 0.49 -0.19 -0.09 0.00 -1.55 0.00 0.00 70.33 68.99 1g3g n THR 15 CO 0.00 0.00 0.00 -0.61 -3.05 0.00 0.00 175.07 171.41 1g3g h GLN 16 N 0.00 0.24 -0.79 1.09 4.15 -1.99 -2.91 115.11 114.91 1g3g h GLN 16 Ca 0.00 -0.19 -0.05 0.00 0.77 0.00 0.00 58.65 59.19 1g3g h GLN 16 Cb 0.00 0.03 -0.03 0.00 0.21 0.00 0.00 27.48 27.69 1g3g h GLN 16 CO 0.00 0.82 0.30 -0.09 -1.93 0.00 0.00 178.83 177.93 1g3g h ARG 17 N -0.28 1.19 -0.57 1.69 2.43 -1.92 -2.51 114.38 114.41 1g3g h ARG 17 Ca -0.01 -0.22 -0.00 0.00 -0.81 0.00 0.00 59.98 58.94 1g3g h ARG 17 Cb 0.84 -0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 30.18 1g3g h ARG 17 CO 0.04 0.97 0.35 0.74 -1.51 0.00 0.00 179.97 180.56 1g3g h PHE 18 N 1.15 0.74 -0.60 2.20 -1.00 -1.88 -1.89 116.94 115.66 1g3g h PHE 18 Ca 0.26 0.01 -0.04 0.00 2.81 0.00 0.00 57.97 61.01 1g3g h PHE 18 Cb 0.23 -0.25 -0.03 0.00 3.61 0.00 0.00 35.95 39.52 1g3g h PHE 18 CO 0.02 0.49 0.23 1.25 -1.61 0.00 0.00 178.31 178.69 1g3g h LEU 19 N 0.78 0.81 -0.26 1.54 5.85 -1.24 -2.39 115.31 120.41 1g3g h LEU 19 Ca 0.21 -0.11 -0.13 0.00 0.84 0.00 0.00 57.88 58.69 1g3g h LEU 19 Cb -0.04 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 40.78 1g3g h LEU 19 CO -0.04 0.73 -0.34 0.40 -0.34 0.00 0.00 178.44 178.85 1g3g h ILE 20 N 0.87 1.31 -0.67 4.05 1.08 -1.26 -2.71 117.51 120.18 1g3g h ILE 20 Ca 0.20 -1.54 0.05 0.00 -0.39 0.00 0.00 64.86 63.18 1g3g h ILE 20 Cb 0.18 1.69 -0.05 0.00 -3.07 0.00 0.00 36.82 35.57 1g3g h ILE 20 CO -0.02 0.49 0.39 -0.33 -0.69 0.00 0.00 178.15 177.99 1g3g h GLU 21 N 0.41 0.72 -0.35 2.37 5.08 -1.17 -1.77 114.58 119.87 1g3g h GLU 21 Ca 0.03 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 58.27 1g3g h GLU 21 Cb 0.93 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 30.00 1g3g h GLU 21 CO 0.08 0.48 -0.09 -0.22 -1.00 0.00 0.00 179.01 178.25 1g3g h LYS 22 N 0.74 0.59 -0.27 2.33 3.64 -1.43 -2.43 116.57 119.75 1g3g h LYS 22 Ca 0.29 -0.17 0.01 0.00 -1.27 0.00 0.00 60.65 59.51 1g3g h LYS 22 Cb 0.11 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.85 1g3g h LYS 22 CO -0.15 0.68 0.15 0.35 -2.27 0.00 0.00 179.45 178.22 1g3g h PHE 23 N 0.55 0.29 -0.42 1.91 3.57 -1.00 -2.83 116.94 119.01 1g3g h PHE 23 Ca 0.10 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.57 1g3g h PHE 23 Cb 0.49 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.13 1g3g h PHE 23 CO 0.02 0.17 0.10 0.66 -2.23 0.00 0.00 178.31 177.03 1g3g h SER 24 N 0.32 0.64 -5.00 0.41 4.64 -1.31 -3.45 113.55 109.79 1g3g h SER 24 Ca 0.11 -0.24 -0.11 0.00 -0.47 0.00 0.00 61.79 61.09 1g3g h SER 24 Cb 0.00 -0.17 -0.19 0.00 -0.31 0.00 0.00 62.40 61.73 1g3g h SER 24 CO -0.06 0.71 -0.22 -1.58 -0.87 0.00 0.00 176.83 174.81 1g3g s GLN 25 N -5.29 0.73 0.27 4.77 0.74 -0.93 -5.14 119.66 114.82 1g3g s GLN 25 Ca -0.13 -0.20 0.03 0.00 0.05 0.00 0.00 55.36 55.10 1g3g s GLN 25 Cb 0.10 0.33 -0.03 0.00 1.10 0.00 0.00 33.01 34.51 1g3g s GLN 25 CO 0.77 -0.21 0.43 -1.21 -0.55 0.00 0.00 175.29 174.52 1g3g s GLU 26 N -1.53 3.46 -0.50 1.67 2.02 -1.25 -3.83 118.70 118.74 1g3g s GLU 26 Ca -0.12 -0.57 -0.27 0.00 0.02 0.00 0.00 54.97 54.03 1g3g s GLU 26 Cb -0.04 -2.81 -0.05 0.00 0.10 0.00 0.00 34.13 31.34 1g3g s GLU 26 CO 0.03 0.33 2.14 -0.65 0.02 0.00 0.00 175.26 177.13 1g3g s GLN 27 N -4.02 2.49 0.01 1.61 -1.52 -1.26 -4.94 119.66 112.03 1g3g s GLN 27 Ca 0.36 1.17 -0.15 0.00 -1.95 0.00 0.00 55.36 54.79 1g3g s GLN 27 Cb -0.09 -4.46 -0.06 0.00 -0.22 0.00 0.00 33.01 28.18 1g3g s GLN 27 CO 0.31 -2.85 0.43 0.42 -0.25 0.00 0.00 175.29 173.35 1g3g s ILE 28 N 10.25 4.99 -1.55 1.08 -1.09 -1.26 -4.97 121.20 128.65 1g3g s ILE 28 Ca 0.85 0.89 0.05 0.00 -2.23 0.00 0.00 60.65 60.21 1g3g s ILE 28 Cb -0.17 -3.74 0.19 0.00 -1.58 0.00 0.00 42.46 37.16 1g3g s ILE 28 CO 0.26 0.57 1.02 0.61 -1.23 0.00 0.00 174.94 176.17 1g3g n GLY 29 N 1.79 0.64 0.12 6.18 0.00 -1.26 -3.69 105.19 108.97 1g3g n GLY 29 Ca -0.13 -0.22 0.08 0.00 0.00 0.00 0.00 46.02 45.75 1g3g n GLY 29 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1g3g h GLU 30 N 1.09 0.00 0.00 1.61 4.81 -1.93 -3.34 114.58 116.82 1g3g h GLU 30 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1g3g h GLU 30 Cb 0.49 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.87 1g3g h GLU 30 CO 0.05 0.10 -0.89 0.09 -0.73 0.00 0.00 179.01 177.62 1g3g n ASN 31 N -2.79 1.01 -4.55 1.04 3.02 -1.24 -3.94 115.26 107.81 1g3g n ASN 31 Ca -0.02 -0.57 -0.33 0.00 -0.03 0.00 0.00 54.58 53.63 1g3g n ASN 31 Cb 0.63 1.18 -0.04 0.00 -0.61 0.00 0.00 39.78 40.94 1g3g n ASN 31 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1g3g s ILE 32 N -2.41 3.44 0.09 2.41 -1.09 -1.25 -2.28 121.20 120.11 1g3g s ILE 32 Ca 0.02 -0.09 -0.18 0.00 -2.23 0.00 0.00 60.65 58.17 1g3g s ILE 32 Cb 0.09 -4.07 -0.04 0.00 -1.58 0.00 0.00 42.46 36.87 1g3g s ILE 32 CO 0.53 -1.02 0.95 0.55 -1.23 0.00 0.00 174.94 174.72 1g3g n VAL 33 N 7.46 -0.39 -3.62 2.92 3.14 -1.17 -4.64 118.33 122.02 1g3g n VAL 33 Ca 0.29 1.48 -0.07 0.00 -2.96 0.00 0.00 64.34 63.08 1g3g n VAL 33 Cb 0.50 -1.84 -0.02 0.00 -1.06 0.00 0.00 33.84 31.41 1g3g n VAL 33 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1g3g s ARG 35 N -3.36 3.05 -0.20 0.00 3.52 -0.02 0.31 118.95 122.24 1g3g s ARG 35 Ca 0.08 -0.84 -0.17 0.00 -0.13 0.00 0.00 55.73 54.67 1g3g s ARG 35 Cb -0.02 -2.46 -0.04 0.00 -1.56 0.00 0.00 34.95 30.88 1g3g s ARG 35 CO -0.04 -0.01 0.46 0.14 -0.81 0.00 0.00 175.30 175.05 1g3g s VAL 36 N 0.81 5.15 -0.22 7.11 -7.23 0.74 0.17 120.40 126.92 1g3g s VAL 36 Ca -0.07 0.84 -0.02 0.00 -1.81 0.00 0.00 61.98 60.92 1g3g s VAL 36 Cb -0.16 -3.79 0.07 0.00 0.56 0.00 0.00 36.38 33.06 1g3g s VAL 36 CO -0.01 0.21 0.02 -0.63 -0.31 0.00 0.00 175.10 174.38 1g3g s ILE 37 N 1.53 0.79 -0.04 -0.62 1.01 0.40 -1.14 121.20 123.14 1g3g s ILE 37 Ca 0.22 -0.82 -0.30 0.00 0.00 0.00 0.00 60.65 59.74 1g3g s ILE 37 Cb -0.15 -1.29 -0.03 0.00 0.01 0.00 0.00 42.46 41.00 1g3g s ILE 37 CO 0.09 -0.25 1.04 0.00 0.00 0.00 0.00 174.94 175.81 1g3g n THR 39 N 4.22 2.62 -0.02 0.00 -2.24 -1.25 -4.53 114.28 113.08 1g3g n THR 39 Ca 0.08 -2.53 -0.03 0.00 -2.27 0.00 0.00 64.05 59.30 1g3g n THR 39 Cb 0.49 -0.33 -0.02 0.00 -2.10 0.00 0.00 70.33 68.36 1g3g n THR 39 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1g3g n THR 40 N -1.05 0.26 0.00 4.28 -2.24 -1.26 -4.95 114.28 109.33 1g3g n THR 40 Ca 0.36 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 62.02 1g3g n THR 40 Cb 1.11 -0.73 0.00 0.00 -2.10 0.00 0.00 70.33 68.62 1g3g n THR 40 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1g3g n GLY 41 N 3.15 0.78 0.54 3.38 0.00 -1.26 -4.99 105.19 106.78 1g3g n GLY 41 Ca -0.08 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.69 1g3g n GLY 41 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1g3g n GLN 42 N 0.00 0.00 -4.94 1.61 6.02 -1.26 -5.11 117.38 113.70 1g3g n GLN 42 Ca 0.00 0.00 -0.33 0.00 -0.01 0.00 0.00 57.00 56.66 1g3g n GLN 42 Cb 0.00 -0.32 -0.14 0.00 1.02 0.00 0.00 30.24 30.81 1g3g n GLN 42 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1g3g s ILE 43 N -1.27 2.91 0.32 5.09 1.09 -1.26 -5.10 121.20 122.98 1g3g s ILE 43 Ca 0.00 -0.78 -0.21 0.00 -1.10 0.00 0.00 60.65 58.56 1g3g s ILE 43 Cb 0.00 -2.13 -0.10 0.00 -1.06 0.00 0.00 42.46 39.17 1g3g s ILE 43 CO 0.00 0.58 0.85 -2.16 -0.10 0.00 0.00 174.94 174.12 1g3g s PRO 44 N -0.60 4.31 -0.28 2.79 0.04 -1.26 -4.08 135.00 135.92 1g3g s PRO 44 Ca 0.09 1.05 -0.34 0.00 0.04 0.00 0.00 61.00 61.84 1g3g s PRO 44 Cb -0.11 -2.60 -0.10 0.00 0.04 0.00 0.00 34.50 31.73 1g3g s PRO 44 CO 0.01 0.21 2.13 -0.89 0.04 0.00 0.00 177.00 178.50 1g3g n ILE 45 N 0.14 0.28 -4.69 0.56 5.41 -1.26 -4.77 119.36 115.03 1g3g n ILE 45 Ca 0.02 -0.27 -0.31 0.00 1.00 0.00 0.00 62.75 63.19 1g3g n ILE 45 Cb 0.52 -1.84 -0.12 0.00 -0.71 0.00 0.00 39.64 37.48 1g3g n ILE 45 CO 0.00 0.00 0.00 -0.60 0.00 0.00 0.00 176.55 175.95 1g3g s ARG 46 N 5.83 2.22 -0.27 0.38 6.06 -0.29 -5.00 118.95 127.89 1g3g s ARG 46 Ca 1.05 -0.89 -0.09 0.00 -2.50 0.00 0.00 55.73 53.30 1g3g s ARG 46 Cb -0.74 -2.26 -0.04 0.00 0.06 0.00 0.00 34.95 31.97 1g3g s ARG 46 CO 0.47 0.56 0.13 0.16 -2.50 0.00 0.00 175.30 174.13 1g3g s ASP 47 N -1.29 5.54 -0.13 -2.12 -4.77 -1.26 -0.19 116.67 112.45 1g3g s ASP 47 Ca 0.14 -0.15 -0.07 0.00 -3.30 0.00 0.00 52.55 49.17 1g3g s ASP 47 Cb -0.11 -2.01 -0.04 0.00 -1.09 0.00 0.00 42.92 39.67 1g3g s ASP 47 CO 0.05 -0.05 0.13 -0.76 0.70 0.00 0.00 175.17 175.23 1g3g s LEU 48 N 1.68 4.31 0.00 2.11 1.43 0.15 -4.97 118.68 123.39 1g3g s LEU 48 Ca 0.07 0.42 0.00 0.00 -1.03 0.00 0.00 54.13 53.58 1g3g s LEU 48 Cb -0.16 -2.06 -0.00 0.00 0.03 0.00 0.00 46.19 44.01 1g3g s LEU 48 CO 0.07 0.38 0.01 -0.24 0.23 0.00 0.00 176.35 176.80 1g3g n SER 49 N 2.20 1.31 -3.62 2.29 2.88 -1.26 -0.70 113.62 116.71 1g3g n SER 49 Ca -0.19 -1.19 -0.15 0.00 -1.33 0.00 0.00 58.87 56.01 1g3g n SER 49 Cb 0.55 0.07 -0.07 0.00 -0.75 0.00 0.00 64.21 64.00 1g3g n SER 49 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1g3g s ALA 50 N -2.09 -1.55 -1.07 -1.46 0.00 -0.97 -4.28 121.76 110.34 1g3g s ALA 50 Ca 0.01 1.43 -0.19 0.00 0.00 0.00 0.00 51.96 53.21 1g3g s ALA 50 Cb 0.00 -0.51 0.10 0.00 0.00 0.00 0.00 23.12 22.72 1g3g s ALA 50 CO 0.01 -0.32 1.39 -0.51 0.00 0.00 0.00 175.76 176.33 1g3g s ASP 51 N -0.45 6.70 0.48 0.00 1.01 -1.26 -4.50 116.67 118.66 1g3g s ASP 51 Ca -0.06 -2.08 0.16 0.00 0.71 0.00 0.00 52.55 51.28 1g3g s ASP 51 Cb -0.03 -2.49 1.17 0.00 1.01 0.00 0.00 42.92 42.59 1g3g s ASP 51 CO 0.05 -1.18 2.06 0.40 0.21 0.00 0.00 175.17 176.71 1g3g h ILE 52 N 5.91 0.94 -0.64 0.77 2.04 -1.95 -1.65 117.51 122.93 1g3g h ILE 52 Ca 0.25 -0.07 0.08 0.00 1.00 0.00 0.00 64.86 66.12 1g3g h ILE 52 Cb 0.97 0.73 -0.04 0.00 -0.74 0.00 0.00 36.82 37.73 1g3g h ILE 52 CO 1.30 0.03 0.43 -1.28 0.00 0.00 0.00 178.15 178.63 1g3g h SER 53 N 0.19 0.50 -0.37 1.72 0.87 -1.98 0.26 113.55 114.74 1g3g h SER 53 Ca 0.15 0.01 -0.09 0.00 -1.23 0.00 0.00 61.79 60.63 1g3g h SER 53 Cb 0.34 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.19 1g3g h SER 53 CO -0.02 0.31 -0.11 1.56 -0.53 0.00 0.00 176.83 178.04 1g3g h GLN 54 N 0.56 0.73 -0.08 2.24 1.08 -1.61 -2.89 115.11 115.15 1g3g h GLN 54 Ca 0.29 -0.29 -0.22 0.00 -1.45 0.00 0.00 58.65 56.98 1g3g h GLN 54 Cb 0.39 -0.04 0.01 0.00 -0.05 0.00 0.00 27.48 27.79 1g3g h GLN 54 CO -0.09 0.89 -0.84 0.28 -0.95 0.00 0.00 178.83 178.12 1g3g h VAL 55 N 0.53 1.33 -0.57 -0.54 2.07 -1.37 1.47 116.25 119.17 1g3g h VAL 55 Ca 0.09 -2.15 0.10 0.00 0.82 0.00 0.00 66.70 65.56 1g3g h VAL 55 Cb 0.63 2.16 -0.03 0.00 -1.52 0.00 0.00 31.29 32.52 1g3g h VAL 55 CO 0.04 0.66 0.38 -0.07 0.02 0.00 0.00 177.57 178.60 1g3g h LEU 56 N 0.39 0.33 0.00 2.57 -0.00 -0.50 -2.52 115.31 115.58 1g3g h LEU 56 Ca -0.06 0.01 -0.13 0.00 -0.00 0.00 0.00 57.88 57.70 1g3g h LEU 56 Cb 1.45 -0.06 -0.02 0.00 -0.00 0.00 0.00 40.66 42.03 1g3g h LEU 56 CO 0.16 0.20 -1.84 0.29 -0.00 0.00 0.00 178.44 177.25 1g3g n LYS 57 N -4.47 1.03 -2.64 1.13 4.76 -1.10 -5.08 118.16 111.79 1g3g n LYS 57 Ca 0.09 -0.08 -0.04 0.00 -2.87 0.00 0.00 58.31 55.42 1g3g n LYS 57 Cb 0.37 -1.37 -0.03 0.00 -1.84 0.00 0.00 35.03 32.16 1g3g n LYS 57 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 1g3g n GLU 58 N -2.27 -4.20 0.20 1.97 4.07 0.50 -5.03 120.64 115.89 1g3g n GLU 58 Ca -0.13 3.22 0.00 0.00 -0.06 0.00 0.00 57.16 60.19 1g3g n GLU 58 Cb 0.67 -5.23 0.00 0.00 -0.06 0.00 0.00 31.44 26.82 1g3g n GLU 58 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 1g3g n LYS 59 N 1.30 0.00 -3.17 5.31 5.02 -1.19 -5.02 118.16 120.41 1g3g n LYS 59 Ca -0.26 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 55.93 1g3g n LYS 59 Cb 0.40 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.37 1g3g n LYS 59 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1g3g n ARG 60 N -3.50 0.29 -2.88 1.97 0.63 -1.26 -5.03 116.66 106.89 1g3g n ARG 60 Ca 0.00 -1.81 -0.07 0.00 -0.92 0.00 0.00 57.85 55.05 1g3g n ARG 60 Cb 0.00 1.57 0.01 0.00 0.45 0.00 0.00 32.46 34.49 1g3g n ARG 60 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1g3g n SER 61 N -2.11 -7.73 -2.70 6.15 2.88 -1.26 -4.70 113.62 104.15 1g3g n SER 61 Ca 0.03 0.80 -0.06 0.00 -1.33 0.00 0.00 58.87 58.30 1g3g n SER 61 Cb 0.34 -4.88 0.06 0.00 -0.75 0.00 0.00 64.21 58.98 1g3g n SER 61 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1g3g n ILE 62 N 0.15 0.74 -2.68 2.46 3.06 -1.26 -4.77 119.36 117.07 1g3g n ILE 62 Ca 0.05 -2.53 -0.04 0.00 -2.50 0.00 0.00 62.75 57.73 1g3g n ILE 62 Cb 0.32 0.88 0.06 0.00 0.54 0.00 0.00 39.64 41.44 1g3g n ILE 62 CO 0.00 0.00 0.00 1.17 -2.50 0.00 0.00 176.55 175.22 1g3g n LYS 63 N -0.39 0.19 -4.74 9.51 4.81 -1.26 -4.74 118.16 121.54 1g3g n LYS 63 Ca 0.04 -0.87 -0.33 0.00 -0.87 0.00 0.00 58.31 56.27 1g3g n LYS 63 Cb 0.83 -0.28 -0.14 0.00 0.02 0.00 0.00 35.03 35.46 1g3g n LYS 63 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 1g3g s LYS 64 N 0.47 3.30 -0.01 1.64 2.20 -1.15 -5.00 119.74 121.20 1g3g s LYS 64 Ca 0.26 -0.66 0.03 0.00 -0.36 0.00 0.00 55.97 55.24 1g3g s LYS 64 Cb 0.17 -2.64 -0.01 0.00 -1.51 0.00 0.00 37.83 33.85 1g3g s LYS 64 CO -0.10 0.28 -0.10 0.08 -0.36 0.00 0.00 175.35 175.15 1g3g s VAL 65 N 0.18 0.79 -0.12 4.02 1.01 -1.26 0.32 120.40 125.35 1g3g s VAL 65 Ca -0.07 -0.41 -0.07 0.00 0.00 0.00 0.00 61.98 61.43 1g3g s VAL 65 Cb -0.15 -0.67 -0.04 0.00 0.00 0.00 0.00 36.38 35.52 1g3g s VAL 65 CO 0.05 0.23 0.13 0.26 0.00 0.00 0.00 175.10 175.76 1g3g s TRP 66 N -0.15 3.55 -0.07 5.22 0.51 0.52 -4.87 118.94 123.65 1g3g s TRP 66 Ca 0.03 0.49 0.05 0.00 -2.12 0.00 0.00 56.10 54.54 1g3g s TRP 66 Cb -0.05 -1.93 -0.00 0.00 -0.81 0.00 0.00 33.47 30.68 1g3g s TRP 66 CO -0.00 0.70 -0.21 0.99 -0.51 0.00 0.00 176.95 177.91 1g3g s THR 67 N -0.97 1.81 -0.29 2.01 2.01 -1.26 0.22 115.64 119.17 1g3g s THR 67 Ca 0.15 -0.90 -0.10 0.00 0.31 0.00 0.00 61.69 61.14 1g3g s THR 67 Cb -0.12 -1.55 -0.03 0.00 0.01 0.00 0.00 72.50 70.81 1g3g s THR 67 CO 0.04 0.51 0.15 -0.36 -0.69 0.00 0.00 174.62 174.27 1g3g s PHE 68 N 0.14 3.17 -5.00 4.92 0.08 0.34 0.33 117.98 121.96 1g3g s PHE 68 Ca -0.10 -0.25 0.00 0.00 0.12 0.00 0.00 56.93 56.70 1g3g s PHE 68 Cb -0.15 -2.35 0.00 0.00 -0.57 0.00 0.00 43.02 39.95 1g3g s PHE 68 CO 0.05 -0.32 0.00 0.41 -0.10 0.00 0.00 175.22 175.26 1g3g n GLY 69 N 5.01 -0.31 3.56 4.36 0.00 -1.23 0.57 105.19 117.15 1g3g n GLY 69 Ca -0.14 -1.02 -0.37 0.00 0.00 0.00 0.00 46.02 44.48 1g3g n GLY 69 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1g3g s ARG 70 N -2.00 3.19 0.10 1.61 1.70 -0.90 -3.37 118.95 119.29 1g3g s ARG 70 Ca 0.00 -0.66 -0.12 0.00 -0.47 0.00 0.00 55.73 54.49 1g3g s ARG 70 Cb 0.00 -5.05 0.01 0.00 -0.57 0.00 0.00 34.95 29.34 1g3g s ARG 70 CO 0.00 -2.55 0.28 -0.80 -1.08 0.00 0.00 175.30 171.15 1g3g s ASN 71 N 5.84 -0.03 0.00 -2.89 0.01 -1.26 -4.67 114.94 111.94 1g3g s ASN 71 Ca 0.52 -0.51 0.06 0.00 -0.71 0.00 0.00 52.86 52.22 1g3g s ASN 71 Cb -0.04 0.39 0.26 0.00 0.41 0.00 0.00 41.25 42.28 1g3g s ASN 71 CO -0.02 -0.78 1.13 -0.81 -1.51 0.00 0.00 177.10 175.11 1g3g n PRO 72 N -0.13 0.03 0.00 -0.60 -0.04 -1.26 -3.94 135.00 129.06 1g3g n PRO 72 Ca -0.15 0.34 0.00 0.00 -0.04 0.00 0.00 63.50 63.64 1g3g n PRO 72 Cb 0.63 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.59 1g3g n PRO 72 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1g3g n ALA 73 N -1.42 0.00 0.01 0.55 0.00 -1.26 -4.36 120.51 114.03 1g3g n ALA 73 Ca 0.02 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.45 1g3g n ALA 73 Cb 0.06 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.51 1g3g n ALA 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1g3g n ASP 75 N -2.43 1.94 -3.84 0.00 -0.08 0.98 -4.41 116.55 108.71 1g3g n ASP 75 Ca -0.00 0.30 -0.12 0.00 -1.51 0.00 0.00 54.79 53.46 1g3g n ASP 75 Cb 0.01 -0.83 -0.12 0.00 2.34 0.00 0.00 41.12 42.52 1g3g n ASP 75 CO 0.00 0.00 0.00 -0.47 0.12 0.00 0.00 177.20 176.85 1g3g s TYR 76 N -2.46 -0.10 -0.48 -0.67 5.04 -1.14 -4.90 117.35 112.64 1g3g s TYR 76 Ca -0.33 0.25 -0.22 0.00 -2.44 0.00 0.00 57.07 54.33 1g3g s TYR 76 Cb 0.10 0.03 0.03 0.00 0.35 0.00 0.00 41.96 42.47 1g3g s TYR 76 CO 0.57 -0.12 0.77 -1.58 -1.34 0.00 0.00 175.55 173.85 1g3g s HIS 77 N -0.28 2.97 0.35 4.97 5.65 -1.26 -3.98 115.29 123.71 1g3g s HIS 77 Ca -0.04 -0.01 0.04 0.00 0.25 0.00 0.00 55.06 55.31 1g3g s HIS 77 Cb -0.03 -3.68 -0.04 0.00 -1.18 0.00 0.00 32.58 27.66 1g3g s HIS 77 CO 0.00 -1.05 0.14 -0.48 -0.65 0.00 0.00 174.74 172.70 1g3g s LEU 78 N 3.26 1.86 0.97 8.88 0.05 -1.22 -4.91 118.68 127.59 1g3g s LEU 78 Ca 0.27 -1.59 -0.12 0.00 0.05 0.00 0.00 54.13 52.74 1g3g s LEU 78 Cb -0.13 0.02 0.13 0.00 -2.05 0.00 0.00 46.19 44.16 1g3g s LEU 78 CO 0.20 -0.88 0.83 0.61 -0.55 0.00 0.00 176.35 176.56 1g3g n GLY 79 N -0.72 -1.22 3.14 -3.48 0.00 -1.26 -4.38 105.19 97.27 1g3g n GLY 79 Ca -0.02 -0.78 -0.37 0.00 0.00 0.00 0.00 46.02 44.85 1g3g n GLY 79 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1g3g s ASN 80 N -2.36 5.34 0.06 1.61 4.22 -1.26 -4.02 114.94 118.53 1g3g s ASN 80 Ca 0.63 -2.01 0.06 0.00 -2.14 0.00 0.00 52.86 49.41 1g3g s ASN 80 Cb -0.22 -1.86 -0.04 0.00 1.28 0.00 0.00 41.25 40.41 1g3g s ASN 80 CO 0.62 -0.57 -0.12 -0.63 -2.04 0.00 0.00 177.10 174.37 1g3g s ILE 81 N 1.18 3.26 0.40 0.54 1.01 -1.26 -4.91 121.20 121.43 1g3g s ILE 81 Ca 0.08 -1.14 0.28 0.00 0.00 0.00 0.00 60.65 59.88 1g3g s ILE 81 Cb -0.23 -2.46 0.31 0.00 0.01 0.00 0.00 42.46 40.08 1g3g s ILE 81 CO -0.04 0.24 2.08 -1.28 0.00 0.00 0.00 174.94 175.94 1g3g h SER 82 N 4.08 0.00 0.00 3.58 0.87 -1.98 -3.01 113.55 117.09 1g3g h SER 82 Ca -0.48 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.08 1g3g h SER 82 Cb 1.16 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.12 1g3g h SER 82 CO 0.51 0.11 0.00 0.54 -0.53 0.00 0.00 176.83 177.46 1g3g n ARG 83 N -3.58 0.00 -3.72 2.24 1.74 -1.26 -4.92 116.66 107.16 1g3g n ARG 83 Ca -0.02 0.00 -0.38 0.00 -0.77 0.00 0.00 57.85 56.68 1g3g n ARG 83 Cb 0.24 0.00 -0.12 0.00 -1.02 0.00 0.00 32.46 31.56 1g3g n ARG 83 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1g3g s LEU 84 N 0.00 4.32 0.00 0.55 2.01 -1.26 -4.38 118.68 119.92 1g3g s LEU 84 Ca 0.00 -1.05 0.00 0.00 0.01 0.00 0.00 54.13 53.09 1g3g s LEU 84 Cb 0.00 -1.90 0.00 0.00 0.01 0.00 0.00 46.19 44.30 1g3g s LEU 84 CO 0.00 -0.32 0.00 -1.20 1.01 0.00 0.00 176.35 175.84 1g3g n SER 85 N 4.85 0.00 -3.20 2.29 7.64 -1.26 -4.77 113.62 119.17 1g3g n SER 85 Ca -0.13 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.75 1g3g n SER 85 Cb 0.45 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.65 1g3g n SER 85 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1g3g n ASN 86 N 0.00 -0.68 -3.64 6.43 0.23 -1.14 -2.13 115.26 114.33 1g3g n ASN 86 Ca 0.00 -0.15 -0.34 0.00 -0.53 0.00 0.00 54.58 53.56 1g3g n ASN 86 Cb 0.00 0.00 -0.09 0.00 -2.08 0.00 0.00 39.78 37.61 1g3g n ASN 86 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1g3g n LYS 87 N -0.83 0.00 0.12 -3.83 5.02 -1.25 -3.54 118.16 113.84 1g3g n LYS 87 Ca 0.00 -0.80 0.12 0.00 -2.02 0.00 0.00 58.31 55.61 1g3g n LYS 87 Cb 0.00 -2.21 0.46 0.00 -0.02 0.00 0.00 35.03 33.26 1g3g n LYS 87 CO 0.00 0.00 0.00 1.58 -0.52 0.00 0.00 177.40 178.46 1g3g n HIS 88 N 8.11 0.81 -3.62 2.13 -0.00 0.19 -4.43 115.22 118.41 1g3g n HIS 88 Ca 0.36 0.29 -0.03 0.00 0.46 0.00 0.00 57.72 58.80 1g3g n HIS 88 Cb 0.39 -0.97 -0.02 0.00 -0.12 0.00 0.00 29.99 29.27 1g3g n HIS 88 CO 0.00 0.00 0.00 0.12 0.46 0.00 0.00 176.34 176.92 1g3g s PHE 89 N -3.23 -0.06 0.09 1.57 2.19 0.39 -2.47 117.98 116.44 1g3g s PHE 89 Ca 0.06 0.04 0.00 0.00 0.33 0.00 0.00 56.93 57.37 1g3g s PHE 89 Cb 0.10 0.51 -0.04 0.00 -1.31 0.00 0.00 43.02 42.28 1g3g s PHE 89 CO 0.46 -0.10 -0.03 -0.65 1.83 0.00 0.00 175.22 176.72 1g3g s GLN 90 N -2.18 0.77 -0.07 10.12 -0.21 0.22 0.13 119.66 128.43 1g3g s GLN 90 Ca 0.11 -1.31 0.04 0.00 0.02 0.00 0.00 55.36 54.22 1g3g s GLN 90 Cb -0.01 0.01 -0.00 0.00 1.00 0.00 0.00 33.01 34.01 1g3g s GLN 90 CO -0.03 -0.09 -0.21 0.42 -2.12 0.00 0.00 175.29 173.26 1g3g s ILE 91 N -3.79 1.76 -0.04 1.08 1.01 0.60 0.12 121.20 121.94 1g3g s ILE 91 Ca 0.12 -0.87 -0.00 0.00 0.00 0.00 0.00 60.65 59.90 1g3g s ILE 91 Cb 0.07 -1.53 -0.04 0.00 0.01 0.00 0.00 42.46 40.98 1g3g s ILE 91 CO -0.06 0.49 0.02 -0.76 0.00 0.00 0.00 174.94 174.64 1g3g s LEU 92 N 0.25 3.63 -0.09 2.97 1.43 0.54 0.19 118.68 127.60 1g3g s LEU 92 Ca -0.12 0.09 0.02 0.00 -1.03 0.00 0.00 54.13 53.09 1g3g s LEU 92 Cb -0.16 -1.98 0.01 0.00 0.03 0.00 0.00 46.19 44.10 1g3g s LEU 92 CO 0.06 0.32 -0.15 -0.22 0.23 0.00 0.00 176.35 176.59 1g3g s LEU 93 N -1.30 1.71 0.00 1.79 1.98 0.15 0.83 118.68 123.83 1g3g s LEU 93 Ca 0.17 -0.38 0.00 0.00 -2.89 0.00 0.00 54.13 51.03 1g3g s LEU 93 Cb -0.12 -1.00 0.00 0.00 0.66 0.00 0.00 46.19 45.74 1g3g s LEU 93 CO 0.07 0.04 0.00 0.61 -1.89 0.00 0.00 176.35 175.18 1g3g n GLY 94 N 3.98 0.48 5.00 7.98 0.00 -0.84 -2.91 105.19 118.88 1g3g n GLY 94 Ca -0.20 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 44.88 1g3g n GLY 94 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1g3g n GLU 95 N 0.00 0.00 -2.69 1.61 4.07 -1.26 -2.38 120.64 119.98 1g3g n GLU 95 Ca 0.00 0.00 -0.06 0.00 -0.06 0.00 0.00 57.16 57.04 1g3g n GLU 95 Cb 0.00 0.00 0.08 0.00 -0.06 0.00 0.00 31.44 31.46 1g3g n GLU 95 CO 0.00 0.00 0.00 -0.40 -0.06 0.00 0.00 177.13 176.67 1g3g n ASP 96 N 2.11 -1.69 -0.82 4.31 5.75 -1.26 -4.96 116.55 119.98 1g3g n ASP 96 Ca 0.00 -2.47 -0.08 0.00 -0.01 0.00 0.00 54.79 52.23 1g3g n ASP 96 Cb 0.00 1.29 -0.01 0.00 -1.03 0.00 0.00 41.12 41.37 1g3g n ASP 96 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1g3g n GLY 97 N -0.08 0.31 1.57 6.12 0.00 -1.18 -5.01 105.19 106.91 1g3g n GLY 97 Ca -0.07 -0.59 -0.11 0.00 0.00 0.00 0.00 46.02 45.25 1g3g n GLY 97 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1g3g n ASN 98 N 0.55 0.35 -4.54 1.61 2.85 -1.00 -5.03 115.26 110.06 1g3g n ASN 98 Ca -0.09 -2.04 -0.31 0.00 -0.11 0.00 0.00 54.58 52.03 1g3g n ASN 98 Cb 0.49 0.65 -0.11 0.00 1.24 0.00 0.00 39.78 42.04 1g3g n ASN 98 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 1g3g s LEU 99 N 0.00 2.91 0.05 1.20 1.43 -1.26 -1.98 118.68 121.02 1g3g s LEU 99 Ca 0.15 -0.35 0.03 0.00 -1.03 0.00 0.00 54.13 52.93 1g3g s LEU 99 Cb 0.01 -1.71 -0.02 0.00 0.03 0.00 0.00 46.19 44.50 1g3g s LEU 99 CO 0.10 0.23 -0.10 -0.76 0.23 0.00 0.00 176.35 176.05 1g3g s LEU 100 N -1.76 2.24 -0.12 1.79 1.02 0.24 -0.53 118.68 121.57 1g3g s LEU 100 Ca 0.18 -0.54 0.01 0.00 0.02 0.00 0.00 54.13 53.80 1g3g s LEU 100 Cb -0.11 -0.32 -0.01 0.00 0.02 0.00 0.00 46.19 45.77 1g3g s LEU 100 CO 0.09 -0.13 -0.15 -0.76 0.02 0.00 0.00 176.35 175.42 1g3g s LEU 101 N -1.51 2.59 -0.32 1.79 1.43 0.20 0.20 118.68 123.06 1g3g s LEU 101 Ca -0.06 -0.37 -0.07 0.00 -1.03 0.00 0.00 54.13 52.60 1g3g s LEU 101 Cb -0.09 -1.57 0.02 0.00 0.03 0.00 0.00 46.19 44.58 1g3g s LEU 101 CO 0.01 0.16 0.10 0.21 0.23 0.00 0.00 176.35 177.06 1g3g s ASN 102 N 0.35 5.25 -0.47 2.29 2.47 0.32 0.19 114.94 125.33 1g3g s ASN 102 Ca -0.13 -0.91 -0.26 0.00 0.42 0.00 0.00 52.86 51.99 1g3g s ASN 102 Cb -0.16 -1.89 0.03 0.00 -1.45 0.00 0.00 41.25 37.78 1g3g s ASN 102 CO 0.06 -0.26 0.98 -1.81 -3.72 0.00 0.00 177.10 172.35 1g3g s ASP 103 N 1.46 6.52 -0.24 -4.21 1.01 -1.23 0.71 116.67 120.70 1g3g s ASP 103 Ca 0.01 0.17 0.01 0.00 0.71 0.00 0.00 52.55 53.44 1g3g s ASP 103 Cb -0.18 -2.47 0.06 0.00 1.01 0.00 0.00 42.92 41.34 1g3g s ASP 103 CO 0.03 -1.12 -0.05 -0.51 0.21 0.00 0.00 175.17 173.73 1g3g s ILE 104 N 3.95 1.61 0.23 0.77 2.07 -1.25 0.13 121.20 128.71 1g3g s ILE 104 Ca 0.39 -1.31 0.01 0.00 -1.41 0.00 0.00 60.65 58.33 1g3g s ILE 104 Cb -0.09 -1.87 -0.05 0.00 0.13 0.00 0.00 42.46 40.57 1g3g s ILE 104 CO 0.27 -0.13 0.10 -0.44 -1.91 0.00 0.00 174.94 172.83 1g3g s SER 105 N 1.35 0.89 -0.01 4.50 0.01 -1.03 0.15 113.70 119.56 1g3g s SER 105 Ca -0.05 -1.36 -0.13 0.00 1.31 0.00 0.00 55.95 55.71 1g3g s SER 105 Cb -0.19 0.22 -0.07 0.00 0.21 0.00 0.00 66.02 66.19 1g3g s SER 105 CO -0.07 -0.75 0.73 0.74 0.41 0.00 0.00 173.24 174.31 1g3g h THR 106 N 2.49 0.00 0.00 1.44 2.02 -1.84 -3.43 112.91 113.58 1g3g h THR 106 Ca -0.37 -0.31 -0.14 0.00 0.77 0.00 0.00 66.41 66.35 1g3g h THR 106 Cb 1.24 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.63 1g3g h THR 106 CO 0.59 0.00 -1.55 -0.46 0.37 0.00 0.00 175.52 174.47 1g3g n ASN 107 N -4.17 3.12 -3.74 4.18 0.23 -1.26 -5.06 115.26 108.56 1g3g n ASN 107 Ca -0.06 -0.02 -0.13 0.00 -0.53 0.00 0.00 54.58 53.85 1g3g n ASN 107 Cb 0.19 0.45 -0.13 0.00 -2.08 0.00 0.00 39.78 38.21 1g3g n ASN 107 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 1g3g s GLY 108 N -4.25 -0.13 -0.03 4.83 0.00 -1.26 -5.04 107.32 101.44 1g3g s GLY 108 Ca -0.07 0.90 0.07 0.00 0.00 0.00 0.00 44.72 45.62 1g3g s GLY 108 CO 0.29 1.11 -0.24 -1.59 0.00 0.00 0.00 173.10 172.68 1g3g s THR 109 N 1.08 1.91 0.11 0.90 2.01 -1.26 -4.17 115.64 116.22 1g3g s THR 109 Ca -0.08 -1.02 0.10 0.00 0.31 0.00 0.00 61.69 61.00 1g3g s THR 109 Cb -0.09 -1.60 -0.04 0.00 0.01 0.00 0.00 72.50 70.78 1g3g s THR 109 CO -0.07 0.54 -0.25 0.26 -0.69 0.00 0.00 174.62 174.41 1g3g s TRP 110 N -0.40 2.14 -0.22 4.92 0.51 0.42 0.83 118.94 127.14 1g3g s TRP 110 Ca 0.04 -0.39 0.01 0.00 -2.12 0.00 0.00 56.10 53.64 1g3g s TRP 110 Cb -0.11 -1.18 0.05 0.00 -0.81 0.00 0.00 33.47 31.43 1g3g s TRP 110 CO 0.01 0.27 -0.09 -1.17 -0.51 0.00 0.00 176.95 175.46 1g3g s LEU 111 N -1.90 2.61 -1.65 2.99 2.96 -0.20 0.12 118.68 123.60 1g3g s LEU 111 Ca 0.11 -1.08 -0.12 0.00 -0.22 0.00 0.00 54.13 52.81 1g3g s LEU 111 Cb -0.10 -1.28 0.11 0.00 0.50 0.00 0.00 46.19 45.42 1g3g s LEU 111 CO 0.05 -0.18 0.54 0.59 -1.32 0.00 0.00 176.35 176.03 1g3g n ASN 112 N 4.63 -1.66 0.00 3.68 4.13 -0.68 0.19 115.26 125.55 1g3g n ASN 112 Ca -0.14 -1.10 0.00 0.00 1.68 0.00 0.00 54.58 55.02 1g3g n ASN 112 Cb 0.45 -2.41 0.00 0.00 -1.54 0.00 0.00 39.78 36.28 1g3g n ASN 112 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1g3g n GLY 113 N -1.66 0.41 2.63 7.41 0.00 -1.26 -5.02 105.19 107.70 1g3g n GLY 113 Ca -0.07 -1.00 -0.29 0.00 0.00 0.00 0.00 46.02 44.66 1g3g n GLY 113 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1g3g s GLN 114 N -2.47 0.57 -0.09 1.61 1.11 0.13 -5.11 119.66 115.42 1g3g s GLN 114 Ca 0.00 -1.01 -0.40 0.00 0.01 0.00 0.00 55.36 53.96 1g3g s GLN 114 Cb 0.00 -1.65 -0.18 0.00 -1.01 0.00 0.00 33.01 30.16 1g3g s GLN 114 CO 0.00 -1.04 1.34 1.17 0.01 0.00 0.00 175.29 176.77 1g3g n LYS 115 N 4.76 0.56 -4.13 2.91 4.81 -1.26 -1.04 118.16 124.78 1g3g n LYS 115 Ca -0.01 0.20 -0.29 0.00 -0.87 0.00 0.00 58.31 57.35 1g3g n LYS 115 Cb 0.41 -1.78 -0.02 0.00 0.02 0.00 0.00 35.03 33.66 1g3g n LYS 115 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 1g3g s VAL 116 N 1.14 1.38 0.09 3.15 -7.23 0.24 -4.82 120.40 114.35 1g3g s VAL 116 Ca 0.92 -1.62 -0.16 0.00 -1.81 0.00 0.00 61.98 59.31 1g3g s VAL 116 Cb -1.17 -2.00 -0.07 0.00 0.56 0.00 0.00 36.38 33.70 1g3g s VAL 116 CO 0.59 0.00 0.52 -1.61 -0.31 0.00 0.00 175.10 174.29 1g3g s GLU 117 N -4.22 4.04 0.97 4.82 0.41 -1.26 -4.35 118.70 119.12 1g3g s GLU 117 Ca 0.24 0.55 -0.11 0.00 -0.41 0.00 0.00 54.97 55.24 1g3g s GLU 117 Cb -0.02 -3.10 0.17 0.00 -1.78 0.00 0.00 34.13 29.40 1g3g s GLU 117 CO 0.15 0.58 1.10 0.21 -0.49 0.00 0.00 175.26 176.81 1g3g s LYS 118 N -1.48 0.61 -1.28 1.61 2.20 -1.26 -2.98 119.74 117.17 1g3g s LYS 118 Ca 0.32 1.15 -0.16 0.00 -0.36 0.00 0.00 55.97 56.92 1g3g s LYS 118 Cb -0.17 -1.71 0.16 0.00 -1.51 0.00 0.00 37.83 34.60 1g3g s LYS 118 CO 0.18 -2.78 0.41 0.09 -0.36 0.00 0.00 175.35 172.88 1g3g n ASN 119 N -4.30 -1.25 -4.20 1.43 3.02 0.35 -4.84 115.26 105.48 1g3g n ASN 119 Ca 0.08 -0.84 -0.37 0.00 -0.03 0.00 0.00 54.58 53.42 1g3g n ASN 119 Cb 0.53 -1.09 -0.12 0.00 -0.61 0.00 0.00 39.78 38.50 1g3g n ASN 119 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1g3g s SER 120 N -2.53 5.30 0.45 6.41 1.04 -1.16 -4.91 113.70 118.31 1g3g s SER 120 Ca 0.57 -1.58 -0.23 0.00 0.48 0.00 0.00 55.95 55.18 1g3g s SER 120 Cb -0.33 -1.86 -0.10 0.00 0.10 0.00 0.00 66.02 63.84 1g3g s SER 120 CO 0.70 -0.45 1.03 0.59 0.98 0.00 0.00 173.24 176.09 1g3g n ASN 121 N 4.73 1.32 -4.16 7.02 4.13 -1.26 -3.49 115.26 123.56 1g3g n ASN 121 Ca -0.08 1.00 -0.20 0.00 1.68 0.00 0.00 54.58 56.98 1g3g n ASN 121 Cb 0.43 -1.38 -0.13 0.00 -1.54 0.00 0.00 39.78 37.16 1g3g n ASN 121 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 1g3g s GLN 122 N -2.15 0.97 0.05 3.52 -1.52 0.50 -4.84 119.66 116.19 1g3g s GLN 122 Ca 0.65 -0.80 -0.31 0.00 -1.95 0.00 0.00 55.36 52.96 1g3g s GLN 122 Cb -0.53 -1.00 -0.05 0.00 -0.22 0.00 0.00 33.01 31.21 1g3g s GLN 122 CO 0.55 0.24 1.21 -1.17 -0.25 0.00 0.00 175.29 175.88 1g3g s LEU 123 N -1.20 4.36 0.28 2.90 1.98 -1.26 0.58 118.68 126.33 1g3g s LEU 123 Ca 0.02 2.01 -0.29 0.00 -2.89 0.00 0.00 54.13 52.98 1g3g s LEU 123 Cb -0.08 -3.58 -0.14 0.00 0.66 0.00 0.00 46.19 43.06 1g3g s LEU 123 CO 0.01 -0.49 1.18 -0.11 -1.89 0.00 0.00 176.35 175.05 1g3g n LEU 124 N 4.06 2.50 -4.26 -0.68 -0.00 0.31 -4.81 117.00 114.13 1g3g n LEU 124 Ca 0.09 1.18 -0.21 0.00 -0.00 0.00 0.00 56.01 57.07 1g3g n LEU 124 Cb 0.46 -1.36 -0.12 0.00 -0.00 0.00 0.00 43.42 42.40 1g3g n LEU 124 CO 0.56 -0.97 -0.48 -0.44 -0.00 0.00 0.00 177.39 176.06 1g3g s SER 125 N -0.28 2.24 -0.27 1.96 0.01 -1.26 -4.99 113.70 111.11 1g3g s SER 125 Ca 0.61 -0.74 -0.29 0.00 1.31 0.00 0.00 55.95 56.85 1g3g s SER 125 Cb -0.67 -0.11 -0.02 0.00 0.21 0.00 0.00 66.02 65.44 1g3g s SER 125 CO 0.58 -0.04 1.55 -1.10 0.41 0.00 0.00 173.24 174.64 1g3g s GLN 126 N -2.23 3.75 -1.46 12.44 -1.52 -1.26 -2.66 119.66 126.72 1g3g s GLN 126 Ca 0.07 1.48 -0.02 0.00 -1.95 0.00 0.00 55.36 54.94 1g3g s GLN 126 Cb -0.08 -4.02 0.00 0.00 -0.22 0.00 0.00 33.01 28.69 1g3g s GLN 126 CO 0.04 -1.34 0.22 0.41 -0.25 0.00 0.00 175.29 174.36 1g3g n GLY 127 N 4.71 -0.36 3.47 3.09 0.00 -1.20 -4.95 105.19 109.95 1g3g n GLY 127 Ca 0.18 -0.08 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 1g3g n GLY 127 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1g3g n ASP 128 N -1.62 -1.50 -3.76 1.61 -0.08 -1.09 -4.61 116.55 105.49 1g3g n ASP 128 Ca -0.17 0.38 -0.13 0.00 -1.51 0.00 0.00 54.79 53.37 1g3g n ASP 128 Cb 0.64 -1.26 -0.12 0.00 2.34 0.00 0.00 41.12 42.71 1g3g n ASP 128 CO 0.00 0.00 0.00 -0.70 0.12 0.00 0.00 177.20 176.62 1g3g s GLU 129 N -3.73 0.25 -0.13 -0.67 2.12 -1.26 -0.80 118.70 114.48 1g3g s GLU 129 Ca 0.60 0.43 0.01 0.00 0.36 0.00 0.00 54.97 56.37 1g3g s GLU 129 Cb -0.23 0.01 -0.01 0.00 0.26 0.00 0.00 34.13 34.16 1g3g s GLU 129 CO 0.64 -0.10 -0.16 0.42 -0.54 0.00 0.00 175.26 175.53 1g3g s ILE 130 N 0.69 2.72 -0.01 -3.70 1.09 0.29 -1.69 121.20 120.59 1g3g s ILE 130 Ca -0.05 -0.77 -0.01 0.00 -1.10 0.00 0.00 60.65 58.72 1g3g s ILE 130 Cb -0.06 -2.12 -0.04 0.00 -1.06 0.00 0.00 42.46 39.18 1g3g s ILE 130 CO -0.04 0.53 0.12 -0.89 -0.10 0.00 0.00 174.94 174.56 1g3g s THR 131 N 0.45 4.99 0.05 2.92 2.01 0.34 0.30 115.64 126.70 1g3g s THR 131 Ca -0.12 -0.30 -0.02 0.00 0.31 0.00 0.00 61.69 61.56 1g3g s THR 131 Cb -0.16 -3.30 -0.03 0.00 0.01 0.00 0.00 72.50 69.02 1g3g s THR 131 CO 0.05 0.35 0.01 0.68 -0.69 0.00 0.00 174.62 175.03 1g3g s VAL 132 N -1.23 0.19 -0.84 3.82 -7.23 0.37 0.16 120.40 115.64 1g3g s VAL 132 Ca 0.24 -1.57 -0.04 0.00 -1.81 0.00 0.00 61.98 58.80 1g3g s VAL 132 Cb -0.12 -1.30 0.00 0.00 0.56 0.00 0.00 36.38 35.52 1g3g s VAL 132 CO 0.15 -0.86 0.73 0.61 -0.31 0.00 0.00 175.10 175.41 1g3g n GLY 133 N 0.32 -0.03 3.84 2.32 0.00 -1.26 -0.14 105.19 110.24 1g3g n GLY 133 Ca -0.16 -0.09 -0.32 0.00 0.00 0.00 0.00 46.02 45.46 1g3g n GLY 133 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1g3g s VAL 134 N -3.21 4.42 0.00 1.61 1.01 -1.26 -3.87 120.40 119.09 1g3g s VAL 134 Ca 0.26 0.97 0.00 0.00 0.00 0.00 0.00 61.98 63.21 1g3g s VAL 134 Cb -0.12 -3.68 0.00 0.00 0.00 0.00 0.00 36.38 32.59 1g3g s VAL 134 CO 0.47 -0.85 0.00 0.61 0.00 0.00 0.00 175.10 175.33 1g3g n GLY 135 N -1.97 3.40 3.08 4.51 0.00 -1.26 -5.02 105.19 107.93 1g3g n GLY 135 Ca 0.07 -0.48 -0.26 0.00 0.00 0.00 0.00 46.02 45.35 1g3g n GLY 135 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1g3g s VAL 136 N 0.00 1.36 0.45 1.61 1.01 -1.26 -5.02 120.40 118.55 1g3g s VAL 136 Ca 0.00 -0.63 0.21 0.00 0.00 0.00 0.00 61.98 61.57 1g3g s VAL 136 Cb 0.00 -1.21 0.41 0.00 0.00 0.00 0.00 36.38 35.58 1g3g s VAL 136 CO 0.00 0.40 1.85 1.05 0.00 0.00 0.00 175.10 178.40 1g3g h GLU 137 N 6.75 0.29 -0.36 2.72 -0.00 -1.99 0.49 114.58 122.48 1g3g h GLU 137 Ca -0.29 -0.02 0.00 0.00 -0.00 0.00 0.00 59.36 59.05 1g3g h GLU 137 Cb 1.19 -0.07 0.00 0.00 -0.00 0.00 0.00 28.75 29.88 1g3g h GLU 137 CO 0.47 0.19 0.00 0.43 -0.00 0.00 0.00 179.01 180.11 1g3g n SER 138 N -4.47 2.61 -1.08 3.06 7.64 -1.26 -4.18 113.62 115.95 1g3g n SER 138 Ca 0.20 -1.90 0.03 0.00 1.01 0.00 0.00 58.87 58.21 1g3g n SER 138 Cb 0.80 -0.23 0.13 0.00 -1.01 0.00 0.00 64.21 63.89 1g3g n SER 138 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1g3g n ASP 139 N 0.93 1.64 -4.73 6.43 2.03 0.17 -5.05 116.55 117.97 1g3g n ASP 139 Ca 0.18 -3.16 -0.35 0.00 0.52 0.00 0.00 54.79 51.97 1g3g n ASP 139 Cb 0.45 -0.44 -0.09 0.00 -0.72 0.00 0.00 41.12 40.33 1g3g n ASP 139 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1g3g s ILE 140 N -2.20 4.55 -0.07 5.18 1.01 -1.13 -4.43 121.20 124.11 1g3g s ILE 140 Ca 0.37 -0.22 0.04 0.00 0.00 0.00 0.00 60.65 60.83 1g3g s ILE 140 Cb 0.38 -2.96 -0.02 0.00 0.01 0.00 0.00 42.46 39.87 1g3g s ILE 140 CO -0.10 0.56 -0.18 -0.76 0.00 0.00 0.00 174.94 174.45 1g3g s LEU 141 N -1.08 2.46 0.16 2.97 2.01 0.80 -4.98 118.68 121.03 1g3g s LEU 141 Ca 0.15 -0.35 0.11 0.00 0.01 0.00 0.00 54.13 54.05 1g3g s LEU 141 Cb -0.12 -1.49 -0.04 0.00 0.01 0.00 0.00 46.19 44.55 1g3g s LEU 141 CO 0.05 0.27 -0.24 -0.55 1.01 0.00 0.00 176.35 176.88 1g3g s SER 142 N -0.26 3.24 -0.01 2.29 0.15 -1.26 0.14 113.70 117.98 1g3g s SER 142 Ca 0.01 -0.81 0.02 0.00 0.70 0.00 0.00 55.95 55.86 1g3g s SER 142 Cb -0.13 -0.22 0.00 0.00 -1.71 0.00 0.00 66.02 63.96 1g3g s SER 142 CO 0.03 0.12 -0.05 -0.22 1.20 0.00 0.00 173.24 174.32 1g3g s LEU 143 N -2.41 1.80 -0.01 3.45 1.98 0.15 -3.93 118.68 119.71 1g3g s LEU 143 Ca 0.17 -0.10 0.04 0.00 -2.89 0.00 0.00 54.13 51.34 1g3g s LEU 143 Cb -0.09 -0.33 -0.01 0.00 0.66 0.00 0.00 46.19 46.43 1g3g s LEU 143 CO 0.08 0.03 -0.13 -0.69 -1.89 0.00 0.00 176.35 173.75 1g3g s VAL 144 N 0.18 1.02 -0.17 1.68 1.01 -0.82 0.10 120.40 123.40 1g3g s VAL 144 Ca -0.02 -0.56 -0.03 0.00 0.00 0.00 0.00 61.98 61.37 1g3g s VAL 144 Cb -0.06 -0.85 -0.02 0.00 0.00 0.00 0.00 36.38 35.45 1g3g s VAL 144 CO -0.00 0.28 -0.06 -0.63 0.00 0.00 0.00 175.10 174.68 1g3g s ILE 145 N -0.32 3.48 -0.38 2.22 1.01 0.02 0.15 121.20 127.38 1g3g s ILE 145 Ca 0.05 -0.49 -0.10 0.00 0.00 0.00 0.00 60.65 60.12 1g3g s ILE 145 Cb -0.05 -2.53 0.04 0.00 0.01 0.00 0.00 42.46 39.93 1g3g s ILE 145 CO -0.00 0.48 0.20 0.12 0.00 0.00 0.00 174.94 175.73 1g3g s PHE 146 N 0.76 3.27 0.02 3.97 5.36 0.46 -3.18 117.98 128.63 1g3g s PHE 146 Ca -0.03 -1.21 -0.24 0.00 -0.96 0.00 0.00 56.93 54.48 1g3g s PHE 146 Cb -0.15 -2.55 -0.05 0.00 -0.34 0.00 0.00 43.02 39.94 1g3g s PHE 146 CO 0.02 -0.72 0.75 0.42 -1.46 0.00 0.00 175.22 174.22 1g3g s ILE 147 N 1.49 4.82 -0.32 3.12 1.09 -1.26 -0.84 121.20 129.29 1g3g s ILE 147 Ca 0.01 1.58 -0.26 0.00 -1.10 0.00 0.00 60.65 60.88 1g3g s ILE 147 Cb -0.20 -4.09 0.01 0.00 -1.06 0.00 0.00 42.46 37.11 1g3g s ILE 147 CO 0.05 0.34 0.92 0.54 -0.10 0.00 0.00 174.94 176.68 1g3g s ASN 148 N 0.16 6.77 0.64 3.58 4.22 -1.26 -4.91 114.94 124.15 1g3g s ASN 148 Ca 0.38 0.80 0.37 0.00 -2.14 0.00 0.00 52.86 52.27 1g3g s ASN 148 Cb -0.20 -2.47 2.06 0.00 1.28 0.00 0.00 41.25 41.93 1g3g s ASN 148 CO 0.22 -0.75 2.22 -2.24 -2.04 0.00 0.00 177.10 174.51 1g3g h ASP 149 N 8.15 0.00 -0.91 3.54 2.03 -1.96 -1.80 116.42 125.47 1g3g h ASP 149 Ca -0.23 0.00 0.06 0.00 -0.73 0.00 0.00 57.03 56.13 1g3g h ASP 149 Cb 1.08 0.00 -0.06 0.00 -0.83 0.00 0.00 39.33 39.52 1g3g h ASP 149 CO 0.95 0.00 0.58 0.11 -1.03 0.00 0.00 179.24 179.85 1g3g h LYS 150 N 0.00 1.04 -0.51 4.15 6.56 -1.91 -1.90 116.57 124.01 1g3g h LYS 150 Ca 0.02 -0.06 -0.01 0.00 -1.06 0.00 0.00 60.65 59.54 1g3g h LYS 150 Cb 0.22 -0.23 -0.02 0.00 -0.57 0.00 0.00 32.23 31.62 1g3g h LYS 150 CO -0.00 0.69 0.29 0.35 -2.06 0.00 0.00 179.45 178.72 1g3g h PHE 151 N 1.07 0.68 -0.46 -1.35 3.04 -1.44 -2.23 116.94 116.25 1g3g h PHE 151 Ca 0.39 -0.01 0.02 0.00 3.98 0.00 0.00 57.97 62.35 1g3g h PHE 151 Cb 0.13 -0.22 -0.02 0.00 2.56 0.00 0.00 35.95 38.40 1g3g h PHE 151 CO -0.02 0.49 0.31 -0.22 -2.02 0.00 0.00 178.31 176.85 1g3g h LYS 152 N 0.68 0.56 -0.61 1.11 3.64 -1.47 -2.08 116.57 118.38 1g3g h LYS 152 Ca 0.18 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 1g3g h LYS 152 Cb 0.02 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 31.68 1g3g h LYS 152 CO -0.03 0.37 0.39 1.96 -2.27 0.00 0.00 179.45 179.86 1g3g h GLN 153 N 0.57 0.82 -0.43 1.90 4.20 -0.77 -1.48 115.11 119.92 1g3g h GLN 153 Ca 0.18 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.81 1g3g h GLN 153 Cb 0.01 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 27.60 1g3g h GLN 153 CO -0.04 0.57 0.21 0.00 -0.67 0.00 0.00 178.83 178.89 1g3g h LEU 155 N 0.56 0.93 -0.92 0.00 7.12 -1.19 0.56 115.31 122.37 1g3g h LEU 155 Ca 0.15 -0.05 0.02 0.00 0.13 0.00 0.00 57.88 58.13 1g3g h LEU 155 Cb 0.13 -0.24 -0.05 0.00 -0.53 0.00 0.00 40.66 39.97 1g3g h LEU 155 CO -0.02 0.71 0.61 -0.08 -0.13 0.00 0.00 178.44 179.53 1g3g h GLU 156 N 1.08 1.17 0.03 1.25 4.81 -0.92 0.70 114.58 122.71 1g3g h GLU 156 Ca 0.28 -0.07 -0.22 0.00 -0.13 0.00 0.00 59.36 59.23 1g3g h GLU 156 Cb -0.06 -0.26 -0.02 0.00 0.63 0.00 0.00 28.75 29.04 1g3g h GLU 156 CO -0.05 0.78 -1.01 0.37 -0.73 0.00 0.00 179.01 178.37 1g3g h GLN 157 N 1.21 0.11 -2.15 1.92 5.75 -1.15 -3.37 115.11 117.43 1g3g h GLN 157 Ca 0.35 -0.16 -0.59 0.00 -0.15 0.00 0.00 58.65 58.11 1g3g h GLN 157 Cb -0.07 0.05 -0.41 0.00 1.07 0.00 0.00 27.48 28.12 1g3g h GLN 157 CO -0.10 1.02 -0.73 0.09 -2.65 0.00 0.00 178.83 176.47 1g3g n ASN 158 N -3.49 2.95 -4.73 -0.69 3.02 0.14 -5.09 115.26 107.37 1g3g n ASN 158 Ca -0.03 -3.29 -0.41 0.00 -0.03 0.00 0.00 54.58 50.82 1g3g n ASN 158 Cb 0.91 -0.65 -0.04 0.00 -0.61 0.00 0.00 39.78 39.39 1g3g n ASN 158 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1g3g s LYS 159 N -2.27 4.52 0.11 3.52 -0.14 0.19 -4.62 119.74 121.05 1g3g s LYS 159 Ca 0.40 1.78 -0.30 0.00 -1.36 0.00 0.00 55.97 56.49 1g3g s LYS 159 Cb 0.17 -3.28 -0.06 0.00 -1.68 0.00 0.00 37.83 32.98 1g3g s LYS 159 CO -0.04 -0.05 1.05 0.54 -0.76 0.00 0.00 175.35 176.08 1g3g s VAL 160 N 0.10 4.26 -0.25 3.17 0.11 -1.26 -5.02 120.40 121.51 1g3g s VAL 160 Ca 0.52 1.82 -0.29 0.00 -2.93 0.00 0.00 61.98 61.10 1g3g s VAL 160 Cb -0.30 -4.16 0.17 0.00 -1.53 0.00 0.00 36.38 30.56 1g3g s VAL 160 CO 0.34 0.25 1.26 -0.62 -3.33 0.00 0.00 175.10 173.00 1g3g s ASP 161 N 0.27 -0.13 -0.65 3.54 -1.08 -1.26 -5.11 116.67 112.24 1g3g s ASP 161 Ca 0.50 0.15 -0.22 0.00 -0.52 0.00 0.00 52.55 52.47 1g3g s ASP 161 Cb -0.26 0.12 0.08 0.00 -1.46 0.00 0.00 42.92 41.40 1g3g s ASP 161 CO 0.31 -0.12 0.91 -0.13 0.52 0.00 0.00 175.17 176.66 1g3g s ARG 162 N -0.99 3.11 -0.27 4.34 1.81 -1.26 -5.02 118.95 120.67 1g3g s ARG 162 Ca 0.06 -0.98 -0.17 0.00 -1.72 0.00 0.00 55.73 52.92 1g3g s ARG 162 Cb -0.01 -4.26 -0.03 0.00 -0.45 0.00 0.00 34.95 30.20 1g3g s ARG 162 CO -0.05 -1.75 0.49 0.42 -0.68 0.00 0.00 175.30 173.72 1g3g s ILE 163 N 3.70 5.08 0.00 1.52 1.01 -1.26 -5.35 121.20 125.91 1g3g s ILE 163 Ca 0.20 0.77 0.00 0.00 0.00 0.00 0.00 60.65 61.62 1g3g s ILE 163 Cb -0.18 -3.82 0.00 0.00 0.01 0.00 0.00 42.46 38.47 1g3g s ILE 163 CO 0.09 0.07 0.00 0.54 0.00 0.00 0.00 174.94 175.64