#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g3g n GLU 2 N 0.00 1.61 -3.65 1.61 4.71 -1.26 -4.96 120.64 118.71 1g3g n GLU 2 Ca 0.00 -3.22 -0.39 0.00 -0.01 0.00 0.00 57.16 53.55 1g3g n GLU 2 Cb 0.00 -1.44 -0.09 0.00 -1.01 0.00 0.00 31.44 28.90 1g3g n GLU 2 CO 0.00 0.00 0.00 -0.80 0.09 0.00 0.00 177.13 176.42 1g3g s ASN 3 N -3.10 5.53 0.12 1.62 -0.87 -1.26 -5.05 114.94 111.93 1g3g s ASN 3 Ca 0.39 -2.44 -0.01 0.00 -1.57 0.00 0.00 52.86 49.22 1g3g s ASN 3 Cb 0.38 -1.93 -0.04 0.00 -0.02 0.00 0.00 41.25 39.64 1g3g s ASN 3 CO -0.07 -0.51 0.05 -0.63 -2.57 0.00 0.00 177.10 173.38 1g3g s ILE 4 N 0.55 0.12 -0.43 0.60 1.01 -1.26 -4.84 121.20 116.95 1g3g s ILE 4 Ca 0.13 -1.87 -0.01 0.00 0.00 0.00 0.00 60.65 58.90 1g3g s ILE 4 Cb -0.21 -1.95 -0.01 0.00 0.01 0.00 0.00 42.46 40.30 1g3g s ILE 4 CO -0.04 -0.54 0.37 0.41 0.00 0.00 0.00 174.94 175.14 1g3g n THR 5 N -0.07 -3.11 -2.95 2.92 -1.04 -1.26 -4.41 114.28 104.36 1g3g n THR 5 Ca -0.07 -0.34 -0.11 0.00 -2.04 0.00 0.00 64.05 61.49 1g3g n THR 5 Cb 0.63 -3.86 0.01 0.00 -1.82 0.00 0.00 70.33 65.30 1g3g n THR 5 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10 1g3g n GLN 6 N -2.18 -2.24 -1.90 -2.82 -0.06 -1.26 -4.82 117.38 102.10 1g3g n GLN 6 Ca -0.07 1.99 -0.38 0.00 -2.00 0.00 0.00 57.00 56.53 1g3g n GLN 6 Cb 0.56 -5.25 -0.03 0.00 -4.06 0.00 0.00 30.24 21.45 1g3g n GLN 6 CO 0.00 0.00 0.00 -1.25 -0.20 0.00 0.00 177.06 175.61 1g3g s PRO 7 N -2.65 2.57 -0.20 3.69 0.04 -1.26 -4.71 135.00 132.47 1g3g s PRO 7 Ca 0.24 0.93 0.17 0.00 0.04 0.00 0.00 61.00 62.38 1g3g s PRO 7 Cb -0.06 -4.42 0.38 0.00 0.04 0.00 0.00 34.50 30.44 1g3g s PRO 7 CO 0.78 -2.78 1.25 -2.37 0.04 0.00 0.00 177.00 173.92 1g3g n THR 8 N 7.45 0.44 -3.15 1.26 5.66 -1.26 -5.06 114.28 119.61 1g3g n THR 8 Ca 0.25 -1.50 0.05 0.00 -3.05 0.00 0.00 64.05 59.80 1g3g n THR 8 Cb 0.52 1.03 -0.01 0.00 -1.55 0.00 0.00 70.33 70.32 1g3g n THR 8 CO 0.00 0.00 0.00 -1.58 -3.05 0.00 0.00 175.07 170.44 1g3g s GLN 9 N -1.27 0.40 0.00 1.09 2.00 -1.26 -5.08 119.66 115.54 1g3g s GLN 9 Ca 0.18 0.69 0.00 0.00 -2.00 0.00 0.00 55.36 54.23 1g3g s GLN 9 Cb 0.32 0.38 0.00 0.00 0.80 0.00 0.00 33.01 34.52 1g3g s GLN 9 CO -0.08 -0.44 0.00 0.94 -0.50 0.00 0.00 175.29 175.20 1g3g n GLN 10 N 5.45 0.00 -4.59 1.67 7.27 -1.26 -5.15 117.38 120.76 1g3g n GLN 10 Ca -0.03 0.00 -0.28 0.00 0.07 0.00 0.00 57.00 56.75 1g3g n GLN 10 Cb 0.52 0.00 -0.08 0.00 2.41 0.00 0.00 30.24 33.10 1g3g n GLN 10 CO 0.00 0.00 0.00 -1.54 0.07 0.00 0.00 177.06 175.59 1g3g s SER 11 N -4.29 3.22 0.07 1.69 1.04 -1.26 -5.10 113.70 109.09 1g3g s SER 11 Ca 0.00 -1.72 0.00 0.00 0.48 0.00 0.00 55.95 54.71 1g3g s SER 11 Cb 0.00 0.61 0.00 0.00 0.10 0.00 0.00 66.02 66.73 1g3g s SER 11 CO 0.00 -0.97 0.00 0.41 0.98 0.00 0.00 173.24 173.66 1g3g n THR 12 N -1.05 0.19 -4.50 2.02 -1.04 -1.26 -5.12 114.28 103.52 1g3g n THR 12 Ca -0.10 0.06 -0.24 0.00 -2.04 0.00 0.00 64.05 61.73 1g3g n THR 12 Cb 0.65 -0.95 -0.10 0.00 -1.82 0.00 0.00 70.33 68.10 1g3g n THR 12 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 1g3g s GLN 13 N -2.00 1.72 0.75 -2.82 -1.52 -1.26 -5.14 119.66 109.39 1g3g s GLN 13 Ca 0.00 -1.90 -0.11 0.00 -1.95 0.00 0.00 55.36 51.40 1g3g s GLN 13 Cb 0.00 -1.43 0.04 0.00 -0.22 0.00 0.00 33.01 31.40 1g3g s GLN 13 CO 0.00 0.06 1.08 0.00 -0.25 0.00 0.00 175.29 176.18 1g3g s ALA 14 N -2.82 2.47 -0.18 6.09 0.00 -1.26 -4.99 121.76 121.07 1g3g s ALA 14 Ca 0.32 -0.10 0.17 0.00 0.00 0.00 0.00 51.96 52.34 1g3g s ALA 14 Cb 0.04 -3.13 0.49 0.00 0.00 0.00 0.00 23.12 20.53 1g3g s ALA 14 CO 0.15 -1.48 1.39 0.25 0.00 0.00 0.00 175.76 176.06 1g3g n THR 15 N -3.28 2.25 -0.05 0.00 -2.24 -1.26 -4.66 114.28 105.03 1g3g n THR 15 Ca 0.07 -1.99 -0.11 0.00 -2.27 0.00 0.00 64.05 59.75 1g3g n THR 15 Cb 0.55 -0.26 -0.05 0.00 -2.10 0.00 0.00 70.33 68.47 1g3g n THR 15 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 1g3g h GLN 16 N 1.49 0.28 -0.16 -0.78 4.20 -2.00 -1.92 115.11 116.22 1g3g h GLN 16 Ca 0.01 -0.06 -0.17 0.00 0.06 0.00 0.00 58.65 58.49 1g3g h GLN 16 Cb 1.39 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 29.13 1g3g h GLN 16 CO 0.20 0.40 -0.62 0.07 -0.67 0.00 0.00 178.83 178.21 1g3g h ARG 17 N 0.11 0.55 -0.96 1.46 0.11 -2.01 -3.11 114.38 110.52 1g3g h ARG 17 Ca 0.06 -0.38 0.08 0.00 0.10 0.00 0.00 59.98 59.83 1g3g h ARG 17 Cb 0.24 0.06 -0.07 0.00 1.11 0.00 0.00 29.97 31.31 1g3g h ARG 17 CO -0.00 1.00 0.62 0.74 0.10 0.00 0.00 179.97 182.42 1g3g h PHE 18 N 0.40 1.11 -0.20 4.08 -1.00 -1.81 0.18 116.94 119.71 1g3g h PHE 18 Ca -0.01 0.03 -0.02 0.00 2.81 0.00 0.00 57.97 60.78 1g3g h PHE 18 Cb 1.18 -0.36 -0.01 0.00 3.61 0.00 0.00 35.95 40.36 1g3g h PHE 18 CO 0.05 0.56 0.03 1.25 -1.61 0.00 0.00 178.31 178.59 1g3g h LEU 19 N 1.07 0.26 -0.33 1.54 5.85 -1.27 -2.30 115.31 120.13 1g3g h LEU 19 Ca 0.42 -0.03 -0.12 0.00 0.84 0.00 0.00 57.88 59.00 1g3g h LEU 19 Cb 0.25 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 1g3g h LEU 19 CO -0.17 0.28 -0.24 0.40 -0.34 0.00 0.00 178.44 178.37 1g3g h ILE 20 N 0.29 1.29 -0.66 4.05 2.04 -1.01 -3.02 117.51 120.48 1g3g h ILE 20 Ca 0.07 -1.39 0.06 0.00 1.00 0.00 0.00 64.86 64.60 1g3g h ILE 20 Cb 0.14 1.46 -0.04 0.00 -0.74 0.00 0.00 36.82 37.65 1g3g h ILE 20 CO -0.00 0.45 0.43 -0.33 0.00 0.00 0.00 178.15 178.71 1g3g h GLU 21 N 0.52 0.64 -0.59 2.37 4.39 -0.89 -1.22 114.58 119.81 1g3g h GLU 21 Ca 0.06 -0.04 -0.03 0.00 0.34 0.00 0.00 59.36 59.69 1g3g h GLU 21 Cb 0.80 -0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 29.28 1g3g h GLU 21 CO 0.06 0.43 0.23 -0.22 -1.16 0.00 0.00 179.01 178.35 1g3g h LYS 22 N 0.66 0.85 -0.29 2.33 1.63 -1.37 -2.43 116.57 117.96 1g3g h LYS 22 Ca 0.28 -0.13 0.02 0.00 -0.85 0.00 0.00 60.65 59.97 1g3g h LYS 22 Cb 0.26 -0.15 -0.02 0.00 -0.60 0.00 0.00 32.23 31.72 1g3g h LYS 22 CO -0.09 0.70 0.16 0.35 -3.45 0.00 0.00 179.45 177.12 1g3g h PHE 23 N 0.84 0.29 -0.49 1.91 3.57 -1.21 0.57 116.94 122.42 1g3g h PHE 23 Ca 0.20 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.67 1g3g h PHE 23 Cb 0.17 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 38.80 1g3g h PHE 23 CO 0.01 0.17 0.14 0.77 -2.23 0.00 0.00 178.31 177.17 1g3g h SER 24 N 0.32 0.66 -1.19 0.41 0.02 -1.43 -3.39 113.55 108.96 1g3g h SER 24 Ca 0.12 -0.10 -0.12 0.00 -0.84 0.00 0.00 61.79 60.85 1g3g h SER 24 Cb 0.02 -0.17 -0.21 0.00 0.14 0.00 0.00 62.40 62.18 1g3g h SER 24 CO -0.07 0.64 -0.50 0.00 -1.14 0.00 0.00 176.83 175.76 1g3g s GLN 25 N -5.24 0.79 0.07 3.45 -2.07 -0.87 -5.14 119.66 110.65 1g3g s GLN 25 Ca -0.09 -0.39 -0.22 0.00 -1.82 0.00 0.00 55.36 52.84 1g3g s GLN 25 Cb 0.16 -0.07 -0.06 0.00 -1.09 0.00 0.00 33.01 31.95 1g3g s GLN 25 CO 0.78 -1.19 0.65 -2.00 -1.32 0.00 0.00 175.29 172.20 1g3g s GLU 26 N 1.75 4.35 -0.62 9.60 2.12 0.19 -4.52 118.70 131.58 1g3g s GLU 26 Ca 0.16 0.87 -0.23 0.00 0.36 0.00 0.00 54.97 56.14 1g3g s GLU 26 Cb -0.06 -3.29 0.06 0.00 0.26 0.00 0.00 34.13 31.10 1g3g s GLU 26 CO -0.06 0.50 0.92 -0.65 -0.54 0.00 0.00 175.26 175.43 1g3g s GLN 27 N -0.71 3.17 -0.01 4.30 -0.21 -1.26 -5.02 119.66 119.91 1g3g s GLN 27 Ca 0.32 -0.71 -0.15 0.00 0.02 0.00 0.00 55.36 54.84 1g3g s GLN 27 Cb -0.20 -4.17 -0.06 0.00 1.00 0.00 0.00 33.01 29.58 1g3g s GLN 27 CO 0.20 -1.67 0.42 0.42 -2.12 0.00 0.00 175.29 172.54 1g3g s ILE 28 N 3.87 5.03 -0.98 1.08 -1.09 -1.26 -4.51 121.20 123.34 1g3g s ILE 28 Ca 0.23 0.86 -0.13 0.00 -2.23 0.00 0.00 60.65 59.38 1g3g s ILE 28 Cb -0.16 -3.72 0.01 0.00 -1.58 0.00 0.00 42.46 37.00 1g3g s ILE 28 CO 0.12 0.56 0.70 0.61 -1.23 0.00 0.00 174.94 175.70 1g3g n GLY 29 N 1.91 -1.12 0.09 6.18 0.00 -1.26 -4.91 105.19 106.08 1g3g n GLY 29 Ca -0.13 0.49 -0.11 0.00 0.00 0.00 0.00 46.02 46.26 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 -1.11 0.06 0.00 1.61 4.81 -1.97 -3.37 114.58 114.60 1g3g h GLU 30 Ca -0.56 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 58.56 1g3g h GLU 30 Cb 1.33 0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.75 1g3g h GLU 30 CO 0.42 0.69 -0.91 0.09 -0.73 0.00 0.00 179.01 178.57 1g3g n ASN 31 N -3.17 1.22 -4.55 1.04 3.02 -1.26 -4.36 115.26 107.20 1g3g n ASN 31 Ca -0.18 -0.47 -0.34 0.00 -0.03 0.00 0.00 54.58 53.56 1g3g n ASN 31 Cb 1.04 1.20 -0.04 0.00 -0.61 0.00 0.00 39.78 41.38 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 -2.34 3.44 0.08 2.41 -1.09 -1.26 -2.37 121.20 120.07 1g3g s ILE 32 Ca 0.01 -0.07 -0.15 0.00 -2.23 0.00 0.00 60.65 58.21 1g3g s ILE 32 Cb 0.08 -4.09 -0.03 0.00 -1.58 0.00 0.00 42.46 36.84 1g3g s ILE 32 CO 0.47 -1.04 0.90 0.55 -1.23 0.00 0.00 174.94 174.58 1g3g n VAL 33 N 7.41 -0.34 -3.58 2.92 3.14 -1.19 -4.71 118.33 121.98 1g3g n VAL 33 Ca 0.28 1.40 -0.07 0.00 -2.96 0.00 0.00 64.34 62.99 1g3g n VAL 33 Cb 0.50 -1.75 -0.02 0.00 -1.06 0.00 0.00 33.84 31.51 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 -3.28 2.63 -0.05 0.00 3.52 0.11 -0.14 118.95 121.74 1g3g s ARG 35 Ca 0.07 -0.71 -0.15 0.00 -0.13 0.00 0.00 55.73 54.81 1g3g s ARG 35 Cb -0.01 -2.14 -0.05 0.00 -1.56 0.00 0.00 34.95 31.18 1g3g s ARG 35 CO -0.05 -0.01 0.40 0.14 -0.81 0.00 0.00 175.30 174.96 1g3g s VAL 36 N 0.82 5.11 -0.24 7.11 -7.23 -0.83 0.19 120.40 125.32 1g3g s VAL 36 Ca -0.09 0.80 -0.01 0.00 -1.81 0.00 0.00 61.98 60.87 1g3g s VAL 36 Cb -0.16 -3.71 0.07 0.00 0.56 0.00 0.00 36.38 33.15 1g3g s VAL 36 CO -0.00 0.51 0.03 -0.63 -0.31 0.00 0.00 175.10 174.70 1g3g s ILE 37 N -0.58 0.98 -0.55 -0.62 1.01 0.41 -2.27 121.20 119.58 1g3g s ILE 37 Ca 0.23 -1.05 -0.16 0.00 0.00 0.00 0.00 60.65 59.67 1g3g s ILE 37 Cb -0.16 -1.49 0.13 0.00 0.01 0.00 0.00 42.46 40.95 1g3g s ILE 37 CO 0.11 -0.32 0.52 0.00 0.00 0.00 0.00 174.94 175.25 1g3g n THR 39 N 5.23 2.65 0.43 0.00 5.66 -1.26 -4.40 114.28 122.59 1g3g n THR 39 Ca -0.13 -2.26 0.05 0.00 -3.05 0.00 0.00 64.05 58.66 1g3g n THR 39 Cb 0.40 -0.34 -0.02 0.00 -1.55 0.00 0.00 70.33 68.83 1g3g n THR 39 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 1g3g n THR 40 N -0.85 0.00 0.00 1.09 -2.24 -1.26 -5.01 114.28 106.01 1g3g n THR 40 Ca 0.36 -0.36 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1g3g n THR 40 Cb 1.16 1.08 0.00 0.00 -2.10 0.00 0.00 70.33 70.47 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 0.98 0.86 2.00 3.38 0.00 -1.26 -4.84 105.19 106.31 1g3g n GLY 41 Ca 0.03 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.24 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 -4.13 1.61 6.02 -1.26 -5.06 117.38 114.56 1g3g n GLN 42 Ca 0.00 0.00 -0.19 0.00 -0.01 0.00 0.00 57.00 56.80 1g3g n GLN 42 Cb 0.00 0.00 -0.16 0.00 1.02 0.00 0.00 30.24 31.10 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 -1.05 0.46 0.56 5.09 1.09 -1.26 -5.02 121.20 121.08 1g3g s ILE 43 Ca 0.00 -0.08 -0.21 0.00 -1.10 0.00 0.00 60.65 59.26 1g3g s ILE 43 Cb 0.00 -0.50 -0.04 0.00 -1.06 0.00 0.00 42.46 40.86 1g3g s ILE 43 CO 0.00 0.21 1.32 -2.65 -0.10 0.00 0.00 174.94 173.72 1g3g n PRO 44 N 4.03 1.55 -1.60 2.79 -0.02 -1.26 -3.75 135.00 136.74 1g3g n PRO 44 Ca -0.26 0.57 -0.57 0.00 -2.02 0.00 0.00 63.50 61.23 1g3g n PRO 44 Cb 0.51 -2.53 -0.07 0.00 -0.02 0.00 0.00 33.50 31.38 1g3g n PRO 44 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 1g3g n ILE 45 N -1.21 0.05 -4.47 4.25 5.41 -1.26 -4.78 119.36 117.34 1g3g n ILE 45 Ca 0.11 -0.01 -0.23 0.00 1.00 0.00 0.00 62.75 63.63 1g3g n ILE 45 Cb 0.45 -0.59 -0.16 0.00 -0.71 0.00 0.00 39.64 38.63 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 1.05 1.44 -0.26 0.38 6.06 -0.96 -5.04 118.95 121.62 1g3g s ARG 46 Ca 0.91 -0.33 -0.23 0.00 -2.50 0.00 0.00 55.73 53.58 1g3g s ARG 46 Cb -1.13 -1.23 -0.01 0.00 0.06 0.00 0.00 34.95 32.64 1g3g s ARG 46 CO 0.56 0.01 0.75 -0.51 -2.50 0.00 0.00 175.30 173.61 1g3g s ASP 47 N 0.70 6.72 -0.12 -2.12 1.01 -1.26 -1.97 116.67 119.62 1g3g s ASP 47 Ca -0.13 0.86 -0.08 0.00 0.71 0.00 0.00 52.55 53.91 1g3g s ASP 47 Cb -0.15 -2.40 -0.04 0.00 1.01 0.00 0.00 42.92 41.34 1g3g s ASP 47 CO 0.03 -0.48 0.16 -0.76 0.21 0.00 0.00 175.17 174.32 1g3g s LEU 48 N 2.74 4.38 0.00 1.23 1.43 0.80 -4.99 118.68 124.27 1g3g s LEU 48 Ca 0.31 0.48 0.01 0.00 -1.03 0.00 0.00 54.13 53.90 1g3g s LEU 48 Cb -0.15 -2.11 -0.00 0.00 0.03 0.00 0.00 46.19 43.96 1g3g s LEU 48 CO 0.08 0.38 0.03 -0.24 0.23 0.00 0.00 176.35 176.83 1g3g n SER 49 N 2.14 0.88 -3.72 2.29 2.88 -1.26 -1.12 113.62 115.71 1g3g n SER 49 Ca -0.19 -1.35 -0.09 0.00 -1.33 0.00 0.00 58.87 55.90 1g3g n SER 49 Cb 0.54 0.18 -0.03 0.00 -0.75 0.00 0.00 64.21 64.15 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 -2.18 -1.08 -0.23 -1.46 0.00 -1.00 -4.32 121.76 111.48 1g3g s ALA 50 Ca 0.04 -0.15 -0.07 0.00 0.00 0.00 0.00 51.96 51.78 1g3g s ALA 50 Cb 0.00 0.87 -0.03 0.00 0.00 0.00 0.00 23.12 23.96 1g3g s ALA 50 CO 0.03 -0.85 0.05 -0.51 0.00 0.00 0.00 175.76 174.48 1g3g s ASP 51 N -2.87 5.09 0.32 0.00 1.01 -1.26 -4.53 116.67 114.43 1g3g s ASP 51 Ca 0.09 -0.19 0.04 0.00 0.71 0.00 0.00 52.55 53.20 1g3g s ASP 51 Cb -0.02 -1.90 0.55 0.00 1.01 0.00 0.00 42.92 42.56 1g3g s ASP 51 CO -0.02 0.00 1.84 0.40 0.21 0.00 0.00 175.17 177.60 1g3g h ILE 52 N 5.46 1.21 -0.62 0.77 2.04 -1.96 -2.84 117.51 121.56 1g3g h ILE 52 Ca -0.38 -0.88 0.00 0.00 1.00 0.00 0.00 64.86 64.60 1g3g h ILE 52 Cb 1.17 1.01 -0.03 0.00 -0.74 0.00 0.00 36.82 38.23 1g3g h ILE 52 CO 0.59 0.30 0.40 0.28 0.00 0.00 0.00 178.15 179.73 1g3g h SER 53 N 0.51 0.72 -0.25 1.72 0.02 -1.98 0.70 113.55 114.99 1g3g h SER 53 Ca 0.10 -0.03 -0.13 0.00 -0.84 0.00 0.00 61.79 60.89 1g3g h SER 53 Cb 0.40 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.74 1g3g h SER 53 CO 0.02 0.54 -0.30 0.06 -1.14 0.00 0.00 176.83 176.01 1g3g h GLN 54 N 0.84 0.75 -0.09 3.45 3.07 -1.82 -2.95 115.11 118.37 1g3g h GLN 54 Ca 0.23 -0.34 -0.22 0.00 0.09 0.00 0.00 58.65 58.41 1g3g h GLN 54 Cb -0.08 -0.02 0.01 0.00 0.08 0.00 0.00 27.48 27.47 1g3g h GLN 54 CO -0.05 0.95 -0.82 0.28 0.09 0.00 0.00 178.83 179.29 1g3g h VAL 55 N 0.64 1.32 -0.75 1.86 2.07 -1.22 1.09 116.25 121.25 1g3g h VAL 55 Ca 0.07 -2.12 0.08 0.00 0.82 0.00 0.00 66.70 65.56 1g3g h VAL 55 Cb 0.82 2.13 -0.05 0.00 -1.52 0.00 0.00 31.29 32.67 1g3g h VAL 55 CO 0.07 0.65 0.49 0.25 0.02 0.00 0.00 177.57 179.06 1g3g h LEU 56 N 0.40 0.64 0.00 2.57 6.46 0.49 -2.72 115.31 123.16 1g3g h LEU 56 Ca -0.06 0.01 -0.36 0.00 -0.12 0.00 0.00 57.88 57.35 1g3g h LEU 56 Cb 1.44 -0.12 -0.07 0.00 -0.73 0.00 0.00 40.66 41.17 1g3g h LEU 56 CO 0.16 0.40 -2.37 0.29 -0.62 0.00 0.00 178.44 176.29 1g3g n LYS 57 N -4.49 0.69 -3.44 1.25 5.02 -1.12 -4.98 118.16 111.08 1g3g n LYS 57 Ca 0.12 -0.01 -0.20 0.00 -2.02 0.00 0.00 58.31 56.20 1g3g n LYS 57 Cb 0.29 -1.52 0.06 0.00 -0.02 0.00 0.00 35.03 33.84 1g3g n LYS 57 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1g3g n GLU 58 N -2.74 -2.85 0.00 1.97 2.13 0.37 -4.88 120.64 114.64 1g3g n GLU 58 Ca -0.32 0.73 0.00 0.00 0.66 0.00 0.00 57.16 58.23 1g3g n GLU 58 Cb 1.15 -5.32 0.00 0.00 0.27 0.00 0.00 31.44 27.54 1g3g n GLU 58 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1g3g n LYS 59 N -3.72 0.00 -2.69 5.31 0.00 -1.22 -5.04 118.16 110.79 1g3g n LYS 59 Ca -0.13 0.00 -0.43 0.00 0.00 0.00 0.00 58.31 57.75 1g3g n LYS 59 Cb 0.63 -0.08 -0.02 0.00 0.00 0.00 0.00 35.03 35.55 1g3g n LYS 59 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 1g3g s ARG 60 N -1.73 4.25 0.73 1.64 3.00 -1.26 -4.66 118.95 120.92 1g3g s ARG 60 Ca 0.00 1.30 0.00 0.00 0.00 0.00 0.00 55.73 57.03 1g3g s ARG 60 Cb 0.00 -3.64 0.00 0.00 0.00 0.00 0.00 34.95 31.31 1g3g s ARG 60 CO 0.00 -0.60 0.00 0.43 0.00 0.00 0.00 175.30 175.13 1g3g n SER 61 N 6.22 0.00 -3.36 0.23 7.64 -1.26 -4.73 113.62 118.37 1g3g n SER 61 Ca 0.11 0.00 -0.20 0.00 1.01 0.00 0.00 58.87 59.79 1g3g n SER 61 Cb 0.46 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.64 1g3g n SER 61 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1g3g n ILE 62 N 0.00 -0.34 -2.95 0.44 0.13 -1.26 -4.84 119.36 110.54 1g3g n ILE 62 Ca 0.00 0.00 -0.11 0.00 -1.10 0.00 0.00 62.75 61.54 1g3g n ILE 62 Cb 0.00 -0.80 -0.02 0.00 -0.84 0.00 0.00 39.64 37.98 1g3g n ILE 62 CO 0.00 0.00 0.00 0.29 2.80 0.00 0.00 176.55 179.64 1g3g n LYS 63 N -3.35 0.46 -5.04 9.51 5.02 -1.26 -4.64 118.16 118.85 1g3g n LYS 63 Ca 0.02 -2.38 -0.32 0.00 -2.02 0.00 0.00 58.31 53.61 1g3g n LYS 63 Cb 0.50 -1.52 -0.16 0.00 -0.02 0.00 0.00 35.03 33.84 1g3g n LYS 63 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1g3g s LYS 64 N 0.57 3.09 -0.02 1.97 2.20 -1.14 -5.01 119.74 121.40 1g3g s LYS 64 Ca 0.31 -0.80 0.03 0.00 -0.36 0.00 0.00 55.97 55.15 1g3g s LYS 64 Cb 0.03 -2.42 -0.00 0.00 -1.51 0.00 0.00 37.83 33.93 1g3g s LYS 64 CO -0.11 0.24 -0.12 0.08 -0.36 0.00 0.00 175.35 175.09 1g3g s VAL 65 N 0.23 0.97 -0.13 4.02 1.01 -1.26 0.14 120.40 125.38 1g3g s VAL 65 Ca -0.13 -0.48 -0.08 0.00 0.00 0.00 0.00 61.98 61.30 1g3g s VAL 65 Cb -0.16 -0.84 -0.04 0.00 0.00 0.00 0.00 36.38 35.34 1g3g s VAL 65 CO 0.07 0.29 0.15 0.26 0.00 0.00 0.00 175.10 175.86 1g3g s TRP 66 N 0.02 3.58 -0.06 5.22 0.51 0.52 -4.82 118.94 123.91 1g3g s TRP 66 Ca -0.01 0.52 0.01 0.00 -2.12 0.00 0.00 56.10 54.50 1g3g s TRP 66 Cb -0.08 -1.97 0.02 0.00 -0.81 0.00 0.00 33.47 30.62 1g3g s TRP 66 CO 0.00 0.69 -0.07 0.99 -0.51 0.00 0.00 176.95 178.05 1g3g s THR 67 N -0.88 0.80 -0.30 2.01 2.01 -1.26 0.25 115.64 118.27 1g3g s THR 67 Ca 0.15 -0.26 -0.15 0.00 0.31 0.00 0.00 61.69 61.74 1g3g s THR 67 Cb -0.12 -0.78 -0.03 0.00 0.01 0.00 0.00 72.50 71.58 1g3g s THR 67 CO 0.04 0.29 0.35 -0.36 -0.69 0.00 0.00 174.62 174.24 1g3g s PHE 68 N 0.95 3.23 -5.00 4.92 0.40 0.31 0.29 117.98 123.08 1g3g s PHE 68 Ca -0.10 0.20 0.00 0.00 -0.60 0.00 0.00 56.93 56.43 1g3g s PHE 68 Cb -0.15 -2.60 0.00 0.00 0.51 0.00 0.00 43.02 40.79 1g3g s PHE 68 CO 0.00 -0.31 0.00 0.41 0.70 0.00 0.00 175.22 176.03 1g3g n GLY 69 N 4.84 -0.34 3.56 4.36 0.00 -1.22 0.70 105.19 117.09 1g3g n GLY 69 Ca -0.09 -1.03 -0.36 0.00 0.00 0.00 0.00 46.02 44.53 1g3g n GLY 69 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1g3g s ARG 70 N -2.00 3.15 0.11 1.61 0.52 -1.23 -3.05 118.95 118.06 1g3g s ARG 70 Ca 0.00 -0.69 -0.12 0.00 -0.52 0.00 0.00 55.73 54.40 1g3g s ARG 70 Cb 0.00 -5.13 0.02 0.00 0.52 0.00 0.00 34.95 30.35 1g3g s ARG 70 CO 0.00 -2.65 0.29 -0.80 0.02 0.00 0.00 175.30 172.16 1g3g s ASN 71 N 6.13 -0.05 0.00 0.23 0.01 -1.26 -4.67 114.94 115.34 1g3g s ASN 71 Ca 0.55 -0.50 0.08 0.00 -0.71 0.00 0.00 52.86 52.28 1g3g s ASN 71 Cb -0.03 0.40 0.33 0.00 0.41 0.00 0.00 41.25 42.36 1g3g s ASN 71 CO -0.04 -0.79 1.23 -0.81 -1.51 0.00 0.00 177.10 175.19 1g3g n PRO 72 N -0.14 0.01 0.00 -0.60 -0.04 -1.26 -3.59 135.00 129.38 1g3g n PRO 72 Ca -0.15 0.36 0.00 0.00 -0.04 0.00 0.00 63.50 63.66 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 -1.48 0.00 0.00 0.55 0.00 -1.26 -4.30 120.51 114.02 1g3g n ALA 73 Ca 0.02 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.46 1g3g n ALA 73 Cb 0.09 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.54 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 -2.39 1.94 -3.84 0.00 -0.08 0.85 -4.21 116.55 108.83 1g3g n ASP 75 Ca -0.00 0.31 -0.12 0.00 -1.51 0.00 0.00 54.79 53.47 1g3g n ASP 75 Cb 0.01 -0.85 -0.12 0.00 2.34 0.00 0.00 41.12 42.50 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 -2.45 -0.09 -0.53 -0.67 6.14 -1.13 -4.87 117.35 113.75 1g3g s TYR 76 Ca -0.32 0.22 -0.25 0.00 0.64 0.00 0.00 57.07 57.36 1g3g s TYR 76 Cb 0.09 0.02 0.04 0.00 0.42 0.00 0.00 41.96 42.53 1g3g s TYR 76 CO 0.59 -0.13 0.98 -1.58 0.64 0.00 0.00 175.55 176.05 1g3g s HIS 77 N -0.34 2.80 0.21 4.97 5.65 -1.26 -4.02 115.29 123.30 1g3g s HIS 77 Ca -0.04 0.18 0.08 0.00 0.25 0.00 0.00 55.06 55.53 1g3g s HIS 77 Cb -0.03 -4.12 -0.04 0.00 -1.18 0.00 0.00 32.58 27.21 1g3g s HIS 77 CO 0.00 -1.32 -0.01 -0.51 -0.65 0.00 0.00 174.74 172.26 1g3g s LEU 78 N 4.07 3.24 0.00 8.88 1.43 -1.17 -4.90 118.68 130.23 1g3g s LEU 78 Ca 0.35 -0.50 0.00 0.00 -1.03 0.00 0.00 54.13 52.94 1g3g s LEU 78 Cb -0.11 -1.85 0.00 0.00 0.03 0.00 0.00 46.19 44.27 1g3g s LEU 78 CO 0.22 0.06 0.00 0.61 0.23 0.00 0.00 176.35 177.47 1g3g n GLY 79 N -0.40 -3.44 3.17 -3.19 0.00 -1.26 -4.30 105.19 95.77 1g3g n GLY 79 Ca -0.09 -1.19 -0.39 0.00 0.00 0.00 0.00 46.02 44.36 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 -1.99 5.53 0.18 1.61 2.20 -1.26 -4.42 114.94 116.80 1g3g s ASN 80 Ca 0.00 -2.06 0.09 0.00 -0.94 0.00 0.00 52.86 49.94 1g3g s ASN 80 Cb 0.00 -1.94 -0.04 0.00 -2.00 0.00 0.00 41.25 37.27 1g3g s ASN 80 CO 0.00 -0.61 -0.08 -0.63 -2.94 0.00 0.00 177.10 172.85 1g3g s ILE 81 N 1.12 3.29 0.09 0.54 -1.09 -1.26 -5.05 121.20 118.84 1g3g s ILE 81 Ca 0.08 -1.62 -0.17 0.00 -2.23 0.00 0.00 60.65 56.70 1g3g s ILE 81 Cb -0.24 -2.64 -0.08 0.00 -1.58 0.00 0.00 42.46 37.92 1g3g s ILE 81 CO -0.02 -0.12 1.48 0.77 -1.23 0.00 0.00 174.94 175.82 1g3g h SER 82 N 2.84 0.54 0.00 3.58 4.64 -1.98 -3.38 113.55 119.80 1g3g h SER 82 Ca -0.47 -0.37 0.00 0.00 -0.47 0.00 0.00 61.79 60.49 1g3g h SER 82 Cb 1.21 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 1g3g h SER 82 CO 0.55 0.79 0.00 0.54 -0.87 0.00 0.00 176.83 177.84 1g3g n ARG 83 N -4.51 0.00 -2.51 4.77 3.00 -1.26 -4.89 116.66 111.25 1g3g n ARG 83 Ca -0.03 0.00 -0.41 0.00 -0.01 0.00 0.00 57.85 57.39 1g3g n ARG 83 Cb 0.31 0.00 -0.03 0.00 0.00 0.00 0.00 32.46 32.75 1g3g n ARG 83 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.63 177.15 1g3g s LEU 84 N 0.00 3.26 0.00 0.55 0.05 -1.26 -2.56 118.68 118.71 1g3g s LEU 84 Ca 0.00 -0.21 0.00 0.00 0.05 0.00 0.00 54.13 53.97 1g3g s LEU 84 Cb 0.00 -2.74 0.00 0.00 -2.05 0.00 0.00 46.19 41.40 1g3g s LEU 84 CO 0.00 -1.78 0.00 -1.20 -0.55 0.00 0.00 176.35 172.82 1g3g n SER 85 N 9.39 0.00 -2.10 1.48 7.64 -1.26 -4.96 113.62 123.81 1g3g n SER 85 Ca 0.06 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.94 1g3g n SER 85 Cb 0.49 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.69 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 0.00 -3.97 6.43 6.94 -1.06 -3.51 115.26 120.09 1g3g n ASN 86 Ca 0.00 -0.47 -0.13 0.00 -0.02 0.00 0.00 54.58 53.97 1g3g n ASN 86 Cb 0.00 0.00 -0.05 0.00 -2.36 0.00 0.00 39.78 37.37 1g3g n ASN 86 CO 0.00 0.00 0.00 2.29 -1.03 0.00 0.00 177.26 178.52 1g3g n LYS 87 N -0.47 0.01 0.06 -3.83 2.85 -1.25 -3.37 118.16 112.17 1g3g n LYS 87 Ca 0.00 -0.49 0.11 0.00 -1.05 0.00 0.00 58.31 56.88 1g3g n LYS 87 Cb 0.00 -1.80 0.03 0.00 -0.65 0.00 0.00 35.03 32.61 1g3g n LYS 87 CO 0.00 0.00 0.00 1.58 -0.05 0.00 0.00 177.40 178.93 1g3g n HIS 88 N 7.52 0.60 -3.59 5.58 -0.00 0.22 -4.37 115.22 121.18 1g3g n HIS 88 Ca 0.17 0.17 -0.06 0.00 0.46 0.00 0.00 57.72 58.47 1g3g n HIS 88 Cb 0.38 -0.71 -0.03 0.00 -0.12 0.00 0.00 29.99 29.51 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 -3.29 -0.19 0.07 1.57 5.36 0.18 -2.65 117.98 119.03 1g3g s PHE 89 Ca 0.01 0.23 0.02 0.00 -0.96 0.00 0.00 56.93 56.24 1g3g s PHE 89 Cb 0.12 0.50 -0.03 0.00 -0.34 0.00 0.00 43.02 43.26 1g3g s PHE 89 CO 0.79 -0.24 -0.08 -0.65 -1.46 0.00 0.00 175.22 173.58 1g3g s GLN 90 N -1.86 0.70 -0.07 10.12 -0.21 0.35 0.11 119.66 128.81 1g3g s GLN 90 Ca 0.06 -1.04 0.04 0.00 0.02 0.00 0.00 55.36 54.44 1g3g s GLN 90 Cb -0.01 -0.33 0.00 0.00 1.00 0.00 0.00 33.01 33.68 1g3g s GLN 90 CO -0.04 0.04 -0.18 0.42 -2.12 0.00 0.00 175.29 173.41 1g3g s ILE 91 N -2.35 1.54 -0.07 1.08 1.01 0.70 0.16 121.20 123.28 1g3g s ILE 91 Ca 0.01 -0.74 -0.00 0.00 0.00 0.00 0.00 60.65 59.91 1g3g s ILE 91 Cb -0.03 -1.35 -0.03 0.00 0.01 0.00 0.00 42.46 41.06 1g3g s ILE 91 CO -0.01 0.44 -0.03 -0.76 0.00 0.00 0.00 174.94 174.58 1g3g s LEU 92 N 0.31 3.39 -0.05 2.97 1.43 0.48 0.19 118.68 127.41 1g3g s LEU 92 Ca -0.11 0.05 0.04 0.00 -1.03 0.00 0.00 54.13 53.08 1g3g s LEU 92 Cb -0.15 -1.78 -0.00 0.00 0.03 0.00 0.00 46.19 44.29 1g3g s LEU 92 CO 0.05 0.36 -0.18 -0.22 0.23 0.00 0.00 176.35 176.59 1g3g s LEU 93 N -0.93 1.92 0.00 1.79 1.98 0.12 0.65 118.68 124.21 1g3g s LEU 93 Ca 0.14 -0.37 0.00 0.00 -2.89 0.00 0.00 54.13 51.01 1g3g s LEU 93 Cb -0.11 -1.00 0.00 0.00 0.66 0.00 0.00 46.19 45.73 1g3g s LEU 93 CO 0.03 0.16 0.00 0.61 -1.89 0.00 0.00 176.35 175.25 1g3g n GLY 94 N 3.15 0.22 0.00 7.98 0.00 -1.26 -2.88 105.19 112.41 1g3g n GLY 94 Ca -0.18 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 44.91 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 2.40 0.00 -2.51 1.61 0.00 -1.26 -4.90 120.64 115.98 1g3g n GLU 95 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 57.16 56.95 1g3g n GLU 95 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 31.44 31.44 1g3g n GLU 95 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1g3g n ASP 96 N 0.00 -5.83 0.00 4.31 8.00 -1.26 -4.72 116.55 117.05 1g3g n ASP 96 Ca 0.00 -0.07 0.00 0.00 0.71 0.00 0.00 54.79 55.43 1g3g n ASP 96 Cb 0.00 -4.81 0.00 0.00 -0.02 0.00 0.00 41.12 36.29 1g3g n ASP 96 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1g3g n GLY 97 N -1.12 2.06 5.02 0.44 0.00 -1.26 -5.11 105.19 105.22 1g3g n GLY 97 Ca -0.22 -1.94 0.05 0.00 0.00 0.00 0.00 46.02 43.92 1g3g n GLY 97 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1g3g n ASN 98 N 0.00 -5.14 -4.40 1.61 5.03 -1.26 -4.87 115.26 106.22 1g3g n ASN 98 Ca 0.00 0.39 -0.21 0.00 0.87 0.00 0.00 54.58 55.63 1g3g n ASN 98 Cb 0.00 -1.11 -0.10 0.00 -1.02 0.00 0.00 39.78 37.55 1g3g n ASN 98 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1g3g s LEU 99 N 0.00 2.57 0.09 3.41 1.02 -1.26 -4.10 118.68 120.41 1g3g s LEU 99 Ca 0.00 -1.05 0.09 0.00 0.02 0.00 0.00 54.13 53.18 1g3g s LEU 99 Cb 0.00 -0.83 -0.03 0.00 0.02 0.00 0.00 46.19 45.35 1g3g s LEU 99 CO 0.00 -0.12 -0.22 -0.76 0.02 0.00 0.00 176.35 175.27 1g3g s LEU 100 N -3.41 2.26 -0.11 1.79 1.02 0.21 0.54 118.68 120.98 1g3g s LEU 100 Ca 0.26 -0.65 0.03 0.00 0.02 0.00 0.00 54.13 53.79 1g3g s LEU 100 Cb -0.01 -0.99 -0.01 0.00 0.02 0.00 0.00 46.19 45.19 1g3g s LEU 100 CO 0.11 0.12 -0.21 -0.76 0.02 0.00 0.00 176.35 175.63 1g3g s LEU 101 N -1.70 2.29 -0.29 1.79 1.43 0.39 0.18 118.68 122.77 1g3g s LEU 101 Ca 0.08 -0.48 -0.03 0.00 -1.03 0.00 0.00 54.13 52.67 1g3g s LEU 101 Cb -0.10 -1.47 0.04 0.00 0.03 0.00 0.00 46.19 44.69 1g3g s LEU 101 CO 0.04 0.17 0.01 0.21 0.23 0.00 0.00 176.35 177.01 1g3g s ASN 102 N 0.29 4.86 -0.42 2.29 2.47 0.42 0.19 114.94 125.04 1g3g s ASN 102 Ca -0.15 -1.11 -0.25 0.00 0.42 0.00 0.00 52.86 51.77 1g3g s ASN 102 Cb -0.17 -1.74 0.02 0.00 -1.45 0.00 0.00 41.25 37.91 1g3g s ASN 102 CO 0.08 -0.24 0.91 -1.81 -3.72 0.00 0.00 177.10 172.32 1g3g s ASP 103 N 1.32 6.56 -0.26 -4.21 1.01 -1.24 0.13 116.67 119.99 1g3g s ASP 103 Ca -0.03 0.30 0.01 0.00 0.71 0.00 0.00 52.55 53.55 1g3g s ASP 103 Cb -0.19 -2.45 0.07 0.00 1.01 0.00 0.00 42.92 41.36 1g3g s ASP 103 CO -0.01 -0.95 -0.04 0.27 0.21 0.00 0.00 175.17 174.65 1g3g s ILE 104 N 3.60 1.68 0.36 0.77 -4.36 -1.23 0.76 121.20 122.78 1g3g s ILE 104 Ca 0.37 -1.43 0.03 0.00 -0.26 0.00 0.00 60.65 59.36 1g3g s ILE 104 Cb -0.11 -1.97 -0.04 0.00 1.25 0.00 0.00 42.46 41.59 1g3g s ILE 104 CO 0.23 -0.18 0.10 -0.44 0.24 0.00 0.00 174.94 174.88 1g3g s SER 105 N 1.30 2.46 -0.01 4.36 0.01 -1.09 0.47 113.70 121.20 1g3g s SER 105 Ca -0.03 -1.53 -0.13 0.00 1.31 0.00 0.00 55.95 55.57 1g3g s SER 105 Cb -0.19 0.25 -0.07 0.00 0.21 0.00 0.00 66.02 66.22 1g3g s SER 105 CO -0.07 -0.79 0.73 0.74 0.41 0.00 0.00 173.24 174.25 1g3g h THR 106 N 1.97 0.00 0.00 1.44 2.02 -1.86 -3.43 112.91 113.05 1g3g h THR 106 Ca -0.38 -0.28 -0.14 0.00 0.77 0.00 0.00 66.41 66.38 1g3g h THR 106 Cb 1.26 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.64 1g3g h THR 106 CO 0.62 0.00 -1.53 -0.46 0.37 0.00 0.00 175.52 174.52 1g3g n ASN 107 N -4.01 3.16 -3.74 4.18 0.23 -1.26 -5.05 115.26 108.77 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 0.18 0.44 -0.13 0.00 -2.08 0.00 0.00 39.78 38.19 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 -4.23 -0.13 -0.03 4.83 0.00 -1.26 -5.02 107.32 101.48 1g3g s GLY 108 Ca -0.06 0.89 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 0.00 173.10 172.67 1g3g s THR 109 N 1.08 1.93 0.12 0.90 2.01 -1.26 -4.16 115.64 116.26 1g3g s THR 109 Ca -0.08 -1.03 0.11 0.00 0.31 0.00 0.00 61.69 61.00 1g3g s THR 109 Cb -0.09 -1.61 -0.04 0.00 0.01 0.00 0.00 72.50 70.77 1g3g s THR 109 CO -0.07 0.54 -0.26 0.26 -0.69 0.00 0.00 174.62 174.40 1g3g s TRP 110 N -0.41 2.32 -0.23 4.92 0.51 0.46 -0.77 118.94 125.75 1g3g s TRP 110 Ca 0.05 -0.38 0.02 0.00 -2.12 0.00 0.00 56.10 53.66 1g3g s TRP 110 Cb -0.11 -1.28 0.05 0.00 -0.81 0.00 0.00 33.47 31.33 1g3g s TRP 110 CO 0.01 0.31 -0.10 -1.17 -0.51 0.00 0.00 176.95 175.49 1g3g s LEU 111 N -1.95 2.75 -1.62 2.99 2.96 -0.51 0.14 118.68 123.44 1g3g s LEU 111 Ca 0.14 -1.12 -0.12 0.00 -0.22 0.00 0.00 54.13 52.81 1g3g s LEU 111 Cb -0.10 -1.35 0.11 0.00 0.50 0.00 0.00 46.19 45.35 1g3g s LEU 111 CO 0.06 -0.17 0.61 0.59 -1.32 0.00 0.00 176.35 176.11 1g3g n ASN 112 N 4.59 -2.04 -0.03 3.68 3.02 -0.13 0.26 115.26 124.61 1g3g n ASN 112 Ca -0.14 -1.05 -0.00 0.00 -0.03 0.00 0.00 54.58 53.36 1g3g n ASN 112 Cb 0.45 -2.68 -0.00 0.00 -0.61 0.00 0.00 39.78 36.93 1g3g n ASN 112 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1g3g n GLY 113 N -1.65 0.44 2.75 7.41 0.00 -1.26 -5.01 105.19 107.87 1g3g n GLY 113 Ca -0.06 -0.79 -0.30 0.00 0.00 0.00 0.00 46.02 44.86 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 -1.53 0.90 0.13 1.61 -1.52 0.14 -5.10 119.66 114.29 1g3g s GLN 114 Ca 0.00 -1.34 -0.34 0.00 -1.95 0.00 0.00 55.36 51.73 1g3g s GLN 114 Cb 0.00 -2.17 -0.17 0.00 -0.22 0.00 0.00 33.01 30.45 1g3g s GLN 114 CO 0.00 -1.02 1.02 1.17 -0.25 0.00 0.00 175.29 176.21 1g3g n LYS 115 N 4.52 0.66 -4.38 2.91 4.81 -1.26 -1.43 118.16 123.98 1g3g n LYS 115 Ca 0.01 0.23 -0.19 0.00 -0.87 0.00 0.00 58.31 57.49 1g3g n LYS 115 Cb 0.40 -1.64 -0.10 0.00 0.02 0.00 0.00 35.03 33.71 1g3g n LYS 115 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1g3g s VAL 116 N -0.28 1.46 0.35 3.15 0.11 0.05 -4.82 120.40 120.42 1g3g s VAL 116 Ca 0.76 -2.11 -0.27 0.00 -2.93 0.00 0.00 61.98 57.43 1g3g s VAL 116 Cb -0.97 -2.34 -0.09 0.00 -1.53 0.00 0.00 36.38 31.44 1g3g s VAL 116 CO 0.54 -0.36 1.20 -0.70 -3.33 0.00 0.00 175.10 172.45 1g3g s GLU 117 N -3.76 4.28 0.94 1.54 2.12 -1.26 -4.30 118.70 118.27 1g3g s GLU 117 Ca 0.28 1.96 -0.11 0.00 0.36 0.00 0.00 54.97 57.45 1g3g s GLU 117 Cb 0.04 -2.92 0.16 0.00 0.26 0.00 0.00 34.13 31.66 1g3g s GLU 117 CO 0.10 -0.16 1.09 0.21 -0.54 0.00 0.00 175.26 175.96 1g3g s LYS 118 N -1.94 0.88 -1.39 4.30 2.20 -1.26 -3.05 119.74 119.47 1g3g s LYS 118 Ca 0.52 1.09 -0.18 0.00 -0.36 0.00 0.00 55.97 57.04 1g3g s LYS 118 Cb -0.34 -1.74 0.18 0.00 -1.51 0.00 0.00 37.83 34.41 1g3g s LYS 118 CO 0.44 -2.58 0.44 0.09 -0.36 0.00 0.00 175.35 173.38 1g3g n ASN 119 N -4.15 -1.42 -4.24 1.43 3.02 0.23 -4.85 115.26 105.28 1g3g n ASN 119 Ca 0.08 -0.89 -0.37 0.00 -0.03 0.00 0.00 54.58 53.37 1g3g n ASN 119 Cb 0.54 -1.25 -0.12 0.00 -0.61 0.00 0.00 39.78 38.33 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 -2.71 5.23 0.36 6.41 1.04 -1.17 -4.91 113.70 117.94 1g3g s SER 120 Ca 0.62 -1.26 -0.28 0.00 0.48 0.00 0.00 55.95 55.51 1g3g s SER 120 Cb -0.36 -1.84 -0.11 0.00 0.10 0.00 0.00 66.02 63.81 1g3g s SER 120 CO 0.76 -0.34 1.46 0.59 0.98 0.00 0.00 173.24 176.69 1g3g n ASN 121 N 4.76 3.56 -4.16 7.02 4.13 -1.25 -3.62 115.26 125.70 1g3g n ASN 121 Ca -0.12 1.21 -0.20 0.00 1.68 0.00 0.00 54.58 57.16 1g3g n ASN 121 Cb 0.44 -1.59 -0.13 0.00 -1.54 0.00 0.00 39.78 36.97 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 -1.85 0.92 -0.33 3.52 -1.52 0.51 -4.83 119.66 116.08 1g3g s GLN 122 Ca 0.55 -0.85 -0.29 0.00 -1.95 0.00 0.00 55.36 52.82 1g3g s GLN 122 Cb -0.50 -0.94 -0.01 0.00 -0.22 0.00 0.00 33.01 31.34 1g3g s GLN 122 CO 0.62 0.22 1.53 -1.17 -0.25 0.00 0.00 175.29 176.24 1g3g s LEU 123 N -1.39 3.69 0.41 2.90 2.96 -1.26 0.15 118.68 126.14 1g3g s LEU 123 Ca 0.01 1.19 -0.22 0.00 -0.22 0.00 0.00 54.13 54.88 1g3g s LEU 123 Cb -0.09 -3.53 -0.14 0.00 0.50 0.00 0.00 46.19 42.93 1g3g s LEU 123 CO 0.02 -1.39 0.39 -0.11 -1.32 0.00 0.00 176.35 173.93 1g3g n LEU 124 N 8.85 -1.01 -4.29 -0.68 0.00 0.19 -4.86 117.00 115.19 1g3g n LEU 124 Ca 0.18 0.88 -0.21 0.00 0.00 0.00 0.00 56.01 56.86 1g3g n LEU 124 Cb 0.47 -1.03 -0.12 0.00 0.00 0.00 0.00 43.42 42.74 1g3g n LEU 124 CO 0.67 -3.34 -0.48 -0.55 0.00 0.00 0.00 177.39 173.69 1g3g s SER 125 N -0.97 2.42 -0.27 1.96 0.15 -1.26 -4.87 113.70 110.85 1g3g s SER 125 Ca 0.62 -0.78 -0.29 0.00 0.70 0.00 0.00 55.95 56.20 1g3g s SER 125 Cb -0.62 -0.12 -0.01 0.00 -1.71 0.00 0.00 66.02 63.55 1g3g s SER 125 CO 0.59 -0.03 1.54 -1.58 1.20 0.00 0.00 173.24 174.96 1g3g s GLN 126 N -2.43 3.74 -0.94 5.44 -0.44 -1.26 -2.41 119.66 121.36 1g3g s GLN 126 Ca 0.10 1.45 0.00 0.00 -2.50 0.00 0.00 55.36 54.41 1g3g s GLN 126 Cb -0.07 -4.02 0.00 0.00 -1.64 0.00 0.00 33.01 27.28 1g3g s GLN 126 CO 0.05 -1.35 0.00 0.41 0.50 0.00 0.00 175.29 174.90 1g3g n GLY 127 N 4.72 0.37 3.56 2.59 0.00 -1.23 -4.98 105.19 110.22 1g3g n GLY 127 Ca 0.18 -0.50 -0.32 0.00 0.00 0.00 0.00 46.02 45.38 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 0.16 -0.75 -3.76 1.61 -0.08 -1.01 -4.59 116.55 108.13 1g3g n ASP 128 Ca -0.11 0.38 -0.13 0.00 -1.51 0.00 0.00 54.79 53.42 1g3g n ASP 128 Cb 0.50 -1.36 -0.12 0.00 2.34 0.00 0.00 41.12 42.48 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 -4.17 0.24 -0.16 -0.67 2.12 -1.26 0.31 118.70 115.12 1g3g s GLU 129 Ca 0.63 0.43 -0.02 0.00 0.36 0.00 0.00 54.97 56.36 1g3g s GLU 129 Cb -0.22 0.01 -0.02 0.00 0.26 0.00 0.00 34.13 34.16 1g3g s GLU 129 CO 0.62 -0.10 -0.08 0.42 -0.54 0.00 0.00 175.26 175.59 1g3g s ILE 130 N 0.69 3.45 -0.02 -3.70 -1.09 0.29 -0.96 121.20 119.86 1g3g s ILE 130 Ca -0.05 -0.51 -0.01 0.00 -2.23 0.00 0.00 60.65 57.85 1g3g s ILE 130 Cb -0.06 -2.50 -0.04 0.00 -1.58 0.00 0.00 42.46 38.29 1g3g s ILE 130 CO -0.04 0.49 0.09 -0.89 -1.23 0.00 0.00 174.94 173.37 1g3g s THR 131 N 0.54 4.85 0.05 2.92 2.01 0.37 0.59 115.64 126.97 1g3g s THR 131 Ca -0.05 -0.32 -0.02 0.00 0.31 0.00 0.00 61.69 61.60 1g3g s THR 131 Cb -0.15 -3.20 -0.03 0.00 0.01 0.00 0.00 72.50 69.13 1g3g s THR 131 CO 0.03 0.38 0.01 0.68 -0.69 0.00 0.00 174.62 175.04 1g3g s VAL 132 N -1.18 0.19 -0.63 3.82 -7.23 0.54 0.18 120.40 116.08 1g3g s VAL 132 Ca 0.22 -1.56 -0.03 0.00 -1.81 0.00 0.00 61.98 58.81 1g3g s VAL 132 Cb -0.12 -1.30 0.00 0.00 0.56 0.00 0.00 36.38 35.53 1g3g s VAL 132 CO 0.13 -0.86 0.54 0.61 -0.31 0.00 0.00 175.10 175.21 1g3g n GLY 133 N 0.32 0.16 3.84 2.32 0.00 -1.26 0.60 105.19 111.17 1g3g n GLY 133 Ca -0.16 -0.21 -0.32 0.00 0.00 0.00 0.00 46.02 45.33 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 -3.16 4.48 0.00 1.61 1.01 -1.26 -3.72 120.40 119.35 1g3g s VAL 134 Ca 0.17 1.10 0.00 0.00 0.00 0.00 0.00 61.98 63.25 1g3g s VAL 134 Cb -0.08 -3.71 0.00 0.00 0.00 0.00 0.00 36.38 32.60 1g3g s VAL 134 CO 0.36 -0.77 0.00 0.61 0.00 0.00 0.00 175.10 175.30 1g3g n GLY 135 N -1.76 3.08 3.08 4.51 0.00 -1.26 -5.02 105.19 107.82 1g3g n GLY 135 Ca 0.07 -0.41 -0.26 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.62 0.22 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 -0.08 0.00 0.00 0.00 175.10 177.27 1g3g h GLU 137 N 6.80 0.29 -0.34 2.72 4.81 -1.99 0.50 114.58 127.37 1g3g h GLU 137 Ca -0.29 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.93 1g3g h GLU 137 Cb 1.20 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.51 1g3g h GLU 137 CO 0.47 0.19 0.00 -1.13 -0.73 0.00 0.00 179.01 177.81 1g3g n SER 138 N -4.46 2.56 -0.96 1.04 3.41 -1.26 -4.15 113.62 109.80 1g3g n SER 138 Ca 0.20 -1.89 0.05 0.00 -0.26 0.00 0.00 58.87 56.97 1g3g n SER 138 Cb 0.81 -0.22 0.14 0.00 -0.26 0.00 0.00 64.21 64.68 1g3g n SER 138 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1g3g n ASP 139 N 0.90 1.48 -4.72 4.04 2.03 0.17 -5.05 116.55 115.41 1g3g n ASP 139 Ca 0.17 -3.19 -0.35 0.00 0.52 0.00 0.00 54.79 51.95 1g3g n ASP 139 Cb 0.45 -0.44 -0.09 0.00 -0.72 0.00 0.00 41.12 40.32 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 -2.05 4.47 -0.08 5.18 1.01 -1.11 -4.45 121.20 124.17 1g3g s ILE 140 Ca 0.37 -0.26 0.03 0.00 0.00 0.00 0.00 60.65 60.78 1g3g s ILE 140 Cb 0.38 -2.92 -0.02 0.00 0.01 0.00 0.00 42.46 39.91 1g3g s ILE 140 CO -0.11 0.55 -0.17 -0.76 0.00 0.00 0.00 174.94 174.45 1g3g s LEU 141 N -1.09 2.56 0.18 2.97 2.01 0.20 -4.97 118.68 120.54 1g3g s LEU 141 Ca 0.15 -0.32 0.11 0.00 0.01 0.00 0.00 54.13 54.09 1g3g s LEU 141 Cb -0.11 -1.52 -0.04 0.00 0.01 0.00 0.00 46.19 44.52 1g3g s LEU 141 CO 0.05 0.26 -0.24 -0.44 1.01 0.00 0.00 176.35 176.99 1g3g s SER 142 N -0.25 3.42 -0.02 2.29 0.01 -1.26 0.20 113.70 118.09 1g3g s SER 142 Ca 0.01 -0.85 0.01 0.00 1.31 0.00 0.00 55.95 56.43 1g3g s SER 142 Cb -0.13 -0.25 0.01 0.00 0.21 0.00 0.00 66.02 65.86 1g3g s SER 142 CO 0.03 0.13 -0.05 -0.22 0.41 0.00 0.00 173.24 173.54 1g3g s LEU 143 N -2.59 1.68 -0.01 2.44 1.98 0.20 -4.04 118.68 118.34 1g3g s LEU 143 Ca 0.20 -0.10 0.07 0.00 -2.89 0.00 0.00 54.13 51.41 1g3g s LEU 143 Cb -0.08 -0.34 -0.02 0.00 0.66 0.00 0.00 46.19 46.41 1g3g s LEU 143 CO 0.09 0.01 -0.23 -0.69 -1.89 0.00 0.00 176.35 173.65 1g3g s VAL 144 N 0.35 1.79 -0.09 1.68 1.01 -0.47 0.11 120.40 124.77 1g3g s VAL 144 Ca -0.04 -0.99 -0.01 0.00 0.00 0.00 0.00 61.98 60.94 1g3g s VAL 144 Cb -0.08 -1.49 -0.03 0.00 0.00 0.00 0.00 36.38 34.78 1g3g s VAL 144 CO -0.00 0.48 -0.03 -0.51 0.00 0.00 0.00 175.10 175.04 1g3g s ILE 145 N -0.56 4.04 -0.30 2.22 2.07 0.15 0.16 121.20 128.98 1g3g s ILE 145 Ca 0.09 -0.34 0.03 0.00 -1.41 0.00 0.00 60.65 59.01 1g3g s ILE 145 Cb -0.09 -2.69 0.08 0.00 0.13 0.00 0.00 42.46 39.90 1g3g s ILE 145 CO -0.01 0.59 -0.01 0.12 -1.91 0.00 0.00 174.94 173.72 1g3g s PHE 146 N -0.71 3.36 -0.18 3.50 5.36 0.49 -3.38 117.98 126.42 1g3g s PHE 146 Ca 0.11 -2.60 -0.08 0.00 -0.96 0.00 0.00 56.93 53.40 1g3g s PHE 146 Cb -0.11 -2.41 -0.04 0.00 -0.34 0.00 0.00 43.02 40.11 1g3g s PHE 146 CO 0.02 -0.91 0.09 0.42 -1.46 0.00 0.00 175.22 173.38 1g3g s ILE 147 N 1.05 5.02 0.27 3.12 1.09 -1.26 0.04 121.20 130.53 1g3g s ILE 147 Ca 0.03 0.05 -0.29 0.00 -1.10 0.00 0.00 60.65 59.34 1g3g s ILE 147 Cb -0.19 -3.26 -0.09 0.00 -1.06 0.00 0.00 42.46 37.85 1g3g s ILE 147 CO -0.08 0.47 0.99 0.54 -0.10 0.00 0.00 174.94 176.75 1g3g s ASN 148 N 0.27 7.45 0.45 3.58 2.20 -1.26 -4.84 114.94 122.78 1g3g s ASN 148 Ca 0.05 2.01 0.25 0.00 -0.94 0.00 0.00 52.86 54.24 1g3g s ASN 148 Cb -0.12 -2.61 0.85 0.00 -2.00 0.00 0.00 41.25 37.37 1g3g s ASN 148 CO -0.00 0.00 1.79 -0.78 -2.94 0.00 0.00 177.10 175.17 1g3g h ASP 149 N 3.79 0.00 -0.65 3.54 1.82 -1.95 -3.17 116.42 119.79 1g3g h ASP 149 Ca -0.46 0.00 0.03 0.00 -0.39 0.00 0.00 57.03 56.22 1g3g h ASP 149 Cb 1.20 0.00 -0.04 0.00 0.68 0.00 0.00 39.33 41.17 1g3g h ASP 149 CO 0.67 0.17 0.40 0.11 -1.61 0.00 0.00 179.24 178.98 1g3g h LYS 150 N 0.00 0.74 -0.57 0.28 1.79 -1.91 -1.95 116.57 114.95 1g3g h LYS 150 Ca -0.00 -0.04 0.02 0.00 -2.18 0.00 0.00 60.65 58.44 1g3g h LYS 150 Cb 0.80 -0.17 -0.04 0.00 -1.58 0.00 0.00 32.23 31.24 1g3g h LYS 150 CO 0.02 0.49 0.35 0.35 -1.08 0.00 0.00 179.45 179.59 1g3g h PHE 151 N 0.77 0.66 -0.42 -1.35 3.04 -1.75 -1.87 116.94 116.02 1g3g h PHE 151 Ca 0.27 0.02 -0.00 0.00 3.98 0.00 0.00 57.97 62.23 1g3g h PHE 151 Cb 0.05 -0.22 -0.02 0.00 2.56 0.00 0.00 35.95 38.33 1g3g h PHE 151 CO -0.05 0.39 0.25 -0.22 -2.02 0.00 0.00 178.31 176.66 1g3g h LYS 152 N 0.71 0.57 -0.39 1.11 3.64 -1.53 -2.46 116.57 118.21 1g3g h LYS 152 Ca 0.23 -0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.57 1g3g h LYS 152 Cb -0.00 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.67 1g3g h LYS 152 CO -0.09 0.40 0.25 0.37 -2.27 0.00 0.00 179.45 178.12 1g3g h GLN 153 N 0.58 0.49 -0.65 1.90 -0.00 -0.61 0.74 115.11 117.57 1g3g h GLN 153 Ca 0.15 -0.03 0.01 0.00 -0.00 0.00 0.00 58.65 58.79 1g3g h GLN 153 Cb -0.02 -0.11 -0.03 0.00 0.00 0.00 0.00 27.48 27.32 1g3g h GLN 153 CO -0.03 0.33 0.42 0.00 0.00 0.00 0.00 178.83 179.55 1g3g h LEU 155 N 0.85 0.81 -0.20 0.00 7.12 -1.26 0.92 115.31 123.56 1g3g h LEU 155 Ca 0.24 -0.27 0.00 0.00 0.13 0.00 0.00 57.88 57.99 1g3g h LEU 155 Cb -0.07 -0.22 -0.01 0.00 -0.53 0.00 0.00 40.66 39.83 1g3g h LEU 155 CO -0.06 0.97 0.13 -0.33 -0.13 0.00 0.00 178.44 179.01 1g3g h GLU 156 N 0.73 0.26 0.00 1.25 5.08 -0.36 -2.98 114.58 118.55 1g3g h GLU 156 Ca 0.11 -0.02 -0.21 0.00 -1.00 0.00 0.00 59.36 58.25 1g3g h GLU 156 Cb 0.66 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.82 1g3g h GLU 156 CO 0.05 0.19 -1.13 0.37 -1.00 0.00 0.00 179.01 177.49 1g3g h GLN 157 N 0.25 0.00 0.00 2.33 4.15 -1.30 -3.47 115.11 117.08 1g3g h GLN 157 Ca 0.07 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.49 1g3g h GLN 157 Cb -0.01 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.68 1g3g h GLN 157 CO -0.01 0.73 0.00 0.27 -1.93 0.00 0.00 178.83 177.88 1g3g n ASN 158 N -3.21 0.00 -4.70 -0.69 0.23 0.32 -4.34 115.26 102.87 1g3g n ASN 158 Ca -0.05 0.00 -0.30 0.00 -0.53 0.00 0.00 54.58 53.70 1g3g n ASN 158 Cb 0.92 0.00 -0.08 0.00 -2.08 0.00 0.00 39.78 38.55 1g3g n ASN 158 CO 0.00 0.00 0.00 -0.75 -0.93 0.00 0.00 177.26 175.58 1g3g s LYS 159 N 0.00 2.59 -0.15 -3.83 2.47 -1.26 -4.96 119.74 114.60 1g3g s LYS 159 Ca 0.00 -0.82 -0.29 0.00 -1.56 0.00 0.00 55.97 53.30 1g3g s LYS 159 Cb 0.00 -2.57 -0.03 0.00 -1.46 0.00 0.00 37.83 33.77 1g3g s LYS 159 CO 0.00 0.54 1.53 0.54 0.16 0.00 0.00 175.35 178.13 1g3g s VAL 160 N -1.32 3.81 -0.14 4.02 0.11 -1.26 -4.97 120.40 120.66 1g3g s VAL 160 Ca 0.26 0.96 -0.30 0.00 -2.93 0.00 0.00 61.98 59.97 1g3g s VAL 160 Cb -0.12 -3.70 0.11 0.00 -1.53 0.00 0.00 36.38 31.14 1g3g s VAL 160 CO 0.19 -0.17 0.89 -1.81 -3.33 0.00 0.00 175.10 170.87 1g3g s ASP 161 N 3.29 -0.48 -0.30 3.54 1.11 -1.26 -5.14 116.67 117.43 1g3g s ASP 161 Ca 0.67 0.57 -0.10 0.00 0.18 0.00 0.00 52.55 53.87 1g3g s ASP 161 Cb -0.27 0.46 0.19 0.00 1.07 0.00 0.00 42.92 44.37 1g3g s ASP 161 CO 0.25 -0.41 1.03 -0.60 1.18 0.00 0.00 175.17 176.63 1g3g s ARG 162 N -0.98 0.16 0.12 8.23 3.00 -1.26 -5.15 118.95 123.07 1g3g s ARG 162 Ca -0.04 0.14 -0.30 0.00 -1.00 0.00 0.00 55.73 54.53 1g3g s ARG 162 Cb -0.01 0.07 -0.06 0.00 0.00 0.00 0.00 34.95 34.95 1g3g s ARG 162 CO 0.04 -0.30 0.99 0.96 0.00 0.00 0.00 175.30 176.98 1g3g s ILE 163 N 2.90 4.39 -1.90 4.11 -4.36 -1.26 -5.36 121.20 119.72 1g3g s ILE 163 Ca 0.27 2.00 0.15 0.00 -0.26 0.00 0.00 60.65 62.80 1g3g s ILE 163 Cb -0.02 -4.28 0.12 0.00 1.25 0.00 0.00 42.46 39.54 1g3g s ILE 163 CO -0.23 0.31 0.98 -1.14 0.24 0.00 0.00 174.94 175.11