#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 1.07 -3.26 1.61 1.02 -1.26 -5.12 120.64 114.70 1g3g n GLU 2 Ca 0.00 -1.61 -0.13 0.00 -0.02 0.00 0.00 57.16 55.39 1g3g n GLU 2 Cb 0.00 0.14 -0.06 0.00 -0.02 0.00 0.00 31.44 31.50 1g3g n GLU 2 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 1g3g s ASN 3 N -2.56 0.39 -0.32 1.62 2.47 -1.26 -5.00 114.94 110.28 1g3g s ASN 3 Ca 0.17 -1.66 0.17 0.00 0.42 0.00 0.00 52.86 51.96 1g3g s ASN 3 Cb -0.01 0.86 0.45 0.00 -1.45 0.00 0.00 41.25 41.10 1g3g s ASN 3 CO 0.11 -0.20 1.08 -0.38 -3.72 0.00 0.00 177.10 173.98 1g3g n ILE 4 N 3.92 0.82 -0.04 -5.21 5.41 -1.26 -4.90 119.36 118.10 1g3g n ILE 4 Ca 0.14 -2.67 -0.18 0.00 1.00 0.00 0.00 62.75 61.05 1g3g n ILE 4 Cb 0.49 0.85 -0.14 0.00 -0.71 0.00 0.00 39.64 40.13 1g3g n ILE 4 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 1g3g n THR 5 N -0.32 1.65 -3.38 1.39 -2.24 -1.26 -4.82 114.28 105.30 1g3g n THR 5 Ca 0.05 -0.66 -0.20 0.00 -2.27 0.00 0.00 64.05 60.97 1g3g n THR 5 Cb 0.82 -1.46 -0.09 0.00 -2.10 0.00 0.00 70.33 67.50 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 -2.55 0.63 0.15 -0.78 -0.44 -1.26 -5.03 119.66 110.38 1g3g s GLN 6 Ca -0.23 -1.03 -0.22 0.00 -2.50 0.00 0.00 55.36 51.38 1g3g s GLN 6 Cb 0.07 -0.89 0.04 0.00 -1.64 0.00 0.00 33.01 30.60 1g3g s GLN 6 CO 0.73 -1.21 1.62 -1.35 0.50 0.00 0.00 175.29 175.59 1g3g h PRO 7 N 6.98 -0.24 0.00 1.67 0.11 -1.94 -3.48 132.00 135.10 1g3g h PRO 7 Ca 0.06 0.02 0.22 0.00 0.11 0.00 0.00 66.00 66.41 1g3g h PRO 7 Cb 1.03 0.06 -0.04 0.00 0.11 0.00 0.00 31.00 32.15 1g3g h PRO 7 CO 0.21 -0.16 0.58 -2.37 -0.21 0.00 0.00 178.00 176.05 1g3g n THR 8 N -5.39 0.00 0.00 -1.15 5.66 -1.26 -5.07 114.28 107.07 1g3g n THR 8 Ca -0.00 -0.09 0.00 0.00 -3.05 0.00 0.00 64.05 60.91 1g3g n THR 8 Cb 0.30 0.36 0.00 0.00 -1.55 0.00 0.00 70.33 69.44 1g3g n THR 8 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1g3g n GLN 9 N -0.58 0.00 -2.92 1.09 6.02 -1.26 -4.77 117.38 114.96 1g3g n GLN 9 Ca 0.03 0.00 -0.14 0.00 -0.01 0.00 0.00 57.00 56.88 1g3g n GLN 9 Cb 0.36 0.00 -0.01 0.00 1.02 0.00 0.00 30.24 31.61 1g3g n GLN 9 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.06 176.99 1g3g n GLN 10 N 0.00 -2.65 -0.07 -1.09 7.27 -1.26 -4.81 117.38 114.76 1g3g n GLN 10 Ca 0.00 0.29 -0.10 0.00 0.07 0.00 0.00 57.00 57.26 1g3g n GLN 10 Cb 0.00 -4.88 -0.03 0.00 2.41 0.00 0.00 30.24 27.74 1g3g n GLN 10 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 1g3g h SER 11 N -0.34 0.31 -5.86 1.69 4.64 -2.06 -3.48 113.55 108.46 1g3g h SER 11 Ca -0.25 -0.11 -0.18 0.00 -0.47 0.00 0.00 61.79 60.78 1g3g h SER 11 Cb 1.17 -0.08 0.01 0.00 -0.31 0.00 0.00 62.40 63.19 1g3g h SER 11 CO 0.32 0.34 -0.71 0.35 -0.87 0.00 0.00 176.83 176.26 1g3g n THR 12 N -4.84 -7.88 -1.12 2.95 -2.24 -1.26 -5.02 114.28 94.87 1g3g n THR 12 Ca -0.03 0.36 0.00 0.00 -2.27 0.00 0.00 64.05 62.11 1g3g n THR 12 Cb 0.09 -5.60 0.00 0.00 -2.10 0.00 0.00 70.33 62.72 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 -0.78 1.05 -1.04 -0.78 -0.06 -1.26 -5.00 117.38 109.50 1g3g n GLN 13 Ca -0.01 0.00 0.14 0.00 -2.00 0.00 0.00 57.00 55.12 1g3g n GLN 13 Cb 0.56 0.00 -0.04 0.00 -4.06 0.00 0.00 30.24 26.70 1g3g n GLN 13 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1g3g n ALA 14 N -3.00 -2.71 0.00 1.69 0.00 -1.26 -4.98 120.51 110.26 1g3g n ALA 14 Ca 0.00 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.84 1g3g n ALA 14 Cb 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.47 1g3g n ALA 14 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1g3g n THR 15 N -3.53 0.00 -0.06 0.00 5.66 -1.26 -4.91 114.28 110.18 1g3g n THR 15 Ca -0.01 0.00 -0.11 0.00 -3.05 0.00 0.00 64.05 60.88 1g3g n THR 15 Cb 0.48 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 69.21 1g3g n THR 15 CO 0.00 0.00 0.00 1.56 -3.05 0.00 0.00 175.07 173.58 1g3g h GLN 16 N 0.00 0.32 -0.20 1.09 4.20 -2.00 -1.53 115.11 116.99 1g3g h GLN 16 Ca 0.00 -0.10 -0.18 0.00 0.06 0.00 0.00 58.65 58.44 1g3g h GLN 16 Cb 0.00 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 27.75 1g3g h GLN 16 CO 0.00 0.51 -0.59 0.00 -0.67 0.00 0.00 178.83 178.09 1g3g h ARG 17 N 0.09 0.66 -0.74 1.46 3.08 -1.99 -3.12 114.38 113.82 1g3g h ARG 17 Ca 0.05 -0.44 -0.02 0.00 0.07 0.00 0.00 59.98 59.64 1g3g h ARG 17 Cb 0.36 0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.44 1g3g h ARG 17 CO 0.01 1.06 0.39 0.35 -1.07 0.00 0.00 179.97 180.70 1g3g h PHE 18 N 0.50 1.02 -0.68 3.04 3.57 -1.89 -2.44 116.94 120.06 1g3g h PHE 18 Ca 0.00 -0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.47 1g3g h PHE 18 Cb 1.16 -0.33 -0.03 0.00 2.79 0.00 0.00 35.95 39.54 1g3g h PHE 18 CO 0.06 0.72 0.42 1.25 -2.23 0.00 0.00 178.31 178.53 1g3g h LEU 19 N 1.04 0.81 -0.60 0.59 6.46 -1.22 -2.62 115.31 119.77 1g3g h LEU 19 Ca 0.26 -0.05 -0.03 0.00 -0.12 0.00 0.00 57.88 57.94 1g3g h LEU 19 Cb 0.06 -0.20 -0.03 0.00 -0.73 0.00 0.00 40.66 39.76 1g3g h LEU 19 CO -0.04 0.62 0.25 0.40 -0.62 0.00 0.00 178.44 179.05 1g3g h ILE 20 N 0.92 1.23 -0.55 4.05 1.08 -1.43 -2.51 117.51 120.30 1g3g h ILE 20 Ca 0.25 -0.69 0.06 0.00 -0.39 0.00 0.00 64.86 64.09 1g3g h ILE 20 Cb -0.05 0.56 -0.03 0.00 -3.07 0.00 0.00 36.82 34.22 1g3g h ILE 20 CO -0.05 0.27 0.37 -0.08 -0.69 0.00 0.00 178.15 177.97 1g3g h GLU 21 N 0.83 0.48 -0.08 2.37 4.57 -1.10 -0.37 114.58 121.28 1g3g h GLU 21 Ca 0.20 -0.03 -0.04 0.00 -1.18 0.00 0.00 59.36 58.31 1g3g h GLU 21 Cb 0.18 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.66 1g3g h GLU 21 CO -0.02 0.32 -0.14 -0.22 -1.18 0.00 0.00 179.01 177.78 1g3g h LYS 22 N 0.50 0.12 -0.27 1.92 3.64 -1.10 -2.81 116.57 118.57 1g3g h LYS 22 Ca 0.24 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.61 1g3g h LYS 22 Cb 0.31 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.09 1g3g h LYS 22 CO -0.07 0.26 0.15 0.35 -2.27 0.00 0.00 179.45 177.88 1g3g h PHE 23 N 0.12 0.28 -0.49 1.91 3.04 -1.03 -2.03 116.94 118.74 1g3g h PHE 23 Ca 0.02 0.01 0.10 0.00 3.98 0.00 0.00 57.97 62.08 1g3g h PHE 23 Cb 0.32 -0.09 -0.03 0.00 2.56 0.00 0.00 35.95 38.71 1g3g h PHE 23 CO 0.00 0.16 0.33 0.77 -2.02 0.00 0.00 178.31 177.56 1g3g h SER 24 N 0.31 0.22 -3.40 0.41 0.02 -1.53 -3.22 113.55 106.35 1g3g h SER 24 Ca 0.11 0.00 -0.71 0.00 -0.84 0.00 0.00 61.79 60.35 1g3g h SER 24 Cb 0.01 -0.04 -0.35 0.00 0.14 0.00 0.00 62.40 62.16 1g3g h SER 24 CO -0.06 0.13 -0.08 0.00 -1.14 0.00 0.00 176.83 175.68 1g3g s GLN 25 N -5.24 3.28 0.53 3.45 -2.07 -0.76 -5.07 119.66 113.78 1g3g s GLN 25 Ca -0.07 -3.23 -0.20 0.00 -1.82 0.00 0.00 55.36 50.05 1g3g s GLN 25 Cb 0.19 -3.98 -0.06 0.00 -1.09 0.00 0.00 33.01 28.07 1g3g s GLN 25 CO 0.73 -1.26 1.11 -2.00 -1.32 0.00 0.00 175.29 172.55 1g3g s GLU 26 N -1.26 3.47 -0.00 9.60 2.12 -1.22 -4.88 118.70 126.53 1g3g s GLU 26 Ca 0.27 1.56 -0.30 0.00 0.36 0.00 0.00 54.97 56.86 1g3g s GLU 26 Cb -0.08 -2.04 -0.06 0.00 0.26 0.00 0.00 34.13 32.21 1g3g s GLU 26 CO -0.12 -0.74 1.52 -1.14 -0.54 0.00 0.00 175.26 174.24 1g3g s GLN 27 N -3.25 4.23 0.18 4.30 0.74 -1.26 -4.98 119.66 119.62 1g3g s GLN 27 Ca 0.71 2.10 -0.27 0.00 0.05 0.00 0.00 55.36 57.95 1g3g s GLN 27 Cb -0.22 -3.69 -0.08 0.00 1.10 0.00 0.00 33.01 30.12 1g3g s GLN 27 CO 0.26 -0.69 0.83 0.42 -0.55 0.00 0.00 175.29 175.56 1g3g s ILE 28 N 2.91 4.29 -1.34 -2.34 -1.09 -1.26 -4.98 121.20 117.40 1g3g s ILE 28 Ca 0.68 1.84 -0.09 0.00 -2.23 0.00 0.00 60.65 60.85 1g3g s ILE 28 Cb -0.33 -4.21 0.12 0.00 -1.58 0.00 0.00 42.46 36.46 1g3g s ILE 28 CO 0.28 0.50 2.12 0.61 -1.23 0.00 0.00 174.94 177.22 1g3g n GLY 29 N 1.61 4.81 0.26 6.18 0.00 -1.26 -4.70 105.19 112.10 1g3g n GLY 29 Ca -0.04 -1.99 0.14 0.00 0.00 0.00 0.00 46.02 44.13 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 5.43 0.00 0.00 1.61 4.81 -1.93 -2.60 114.58 121.90 1g3g h GLU 30 Ca 0.52 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.75 1g3g h GLU 30 Cb 0.52 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.90 1g3g h GLU 30 CO 1.63 0.11 -0.89 0.09 -0.73 0.00 0.00 179.01 179.22 1g3g n ASN 31 N -3.36 1.17 -4.55 1.04 4.13 -1.26 -3.98 115.26 108.45 1g3g n ASN 31 Ca -0.01 -0.50 -0.35 0.00 1.68 0.00 0.00 54.58 55.41 1g3g n ASN 31 Cb 0.30 1.19 -0.04 0.00 -1.54 0.00 0.00 39.78 39.70 1g3g n ASN 31 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1g3g s ILE 32 N -2.34 3.41 0.12 2.41 -1.09 -0.98 -2.61 121.20 120.12 1g3g s ILE 32 Ca 0.01 0.02 -0.24 0.00 -2.23 0.00 0.00 60.65 58.22 1g3g s ILE 32 Cb 0.08 -4.03 -0.05 0.00 -1.58 0.00 0.00 42.46 36.88 1g3g s ILE 32 CO 0.48 -0.99 1.24 0.52 -1.23 0.00 0.00 174.94 174.96 1g3g n VAL 33 N 7.36 -0.52 -3.65 2.92 0.31 -1.07 -4.56 118.33 119.12 1g3g n VAL 33 Ca 0.26 1.94 -0.08 0.00 -0.01 0.00 0.00 64.34 66.45 1g3g n VAL 33 Cb 0.50 -2.41 -0.02 0.00 -0.91 0.00 0.00 33.84 31.00 1g3g n VAL 33 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1g3g s ARG 35 N -3.55 0.74 -0.23 0.00 3.00 0.27 0.18 118.95 119.35 1g3g s ARG 35 Ca 0.08 -0.22 -0.19 0.00 -1.00 0.00 0.00 55.73 54.40 1g3g s ARG 35 Cb -0.02 -1.64 -0.03 0.00 0.00 0.00 0.00 34.95 33.26 1g3g s ARG 35 CO -0.03 -0.48 0.54 0.08 0.00 0.00 0.00 175.30 175.42 1g3g s VAL 36 N 1.88 5.07 -0.36 7.11 1.01 -0.34 0.15 120.40 134.91 1g3g s VAL 36 Ca 0.02 0.98 -0.06 0.00 0.00 0.00 0.00 61.98 62.91 1g3g s VAL 36 Cb -0.15 -3.86 0.05 0.00 0.00 0.00 0.00 36.38 32.43 1g3g s VAL 36 CO -0.07 0.12 0.14 -0.63 0.00 0.00 0.00 175.10 174.66 1g3g s ILE 37 N 2.03 3.79 -0.50 2.22 1.01 0.55 -1.78 121.20 128.53 1g3g s ILE 37 Ca 0.24 -1.28 -0.14 0.00 0.00 0.00 0.00 60.65 59.47 1g3g s ILE 37 Cb -0.16 -3.22 0.11 0.00 0.01 0.00 0.00 42.46 39.20 1g3g s ILE 37 CO 0.09 -0.29 0.42 0.00 0.00 0.00 0.00 174.94 175.17 1g3g n THR 39 N 5.14 2.36 -0.65 0.00 5.66 -1.26 -4.28 114.28 121.25 1g3g n THR 39 Ca -0.12 -3.42 0.07 0.00 -3.05 0.00 0.00 64.05 57.53 1g3g n THR 39 Cb 0.41 -0.49 0.19 0.00 -1.55 0.00 0.00 70.33 68.90 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 -1.02 1.72 -1.38 1.09 -2.24 -1.25 -4.94 114.28 106.27 1g3g n THR 40 Ca 0.28 -1.56 0.00 0.00 -2.27 0.00 0.00 64.05 60.50 1g3g n THR 40 Cb 0.81 0.06 0.00 0.00 -2.10 0.00 0.00 70.33 69.09 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 -0.25 0.99 0.33 3.38 0.00 -1.26 -4.71 105.19 103.66 1g3g n GLY 41 Ca 0.16 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.36 0.00 -4.20 1.61 1.13 -1.26 -5.10 117.38 109.20 1g3g n GLN 42 Ca 0.00 0.00 -0.16 0.00 -1.94 0.00 0.00 57.00 54.90 1g3g n GLN 42 Cb 0.28 -0.03 -0.14 0.00 0.11 0.00 0.00 30.24 30.47 1g3g n GLN 42 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1g3g s ILE 43 N -0.38 0.52 0.57 5.09 1.09 -1.26 -5.13 121.20 121.69 1g3g s ILE 43 Ca 0.00 -0.40 -0.21 0.00 -1.10 0.00 0.00 60.65 58.94 1g3g s ILE 43 Cb 0.00 -0.46 -0.04 0.00 -1.06 0.00 0.00 42.46 40.90 1g3g s ILE 43 CO 0.00 0.06 1.31 -2.65 -0.10 0.00 0.00 174.94 173.56 1g3g n PRO 44 N 2.69 1.53 -1.56 2.79 -0.02 -1.26 -3.98 135.00 135.18 1g3g n PRO 44 Ca -0.14 0.57 -0.57 0.00 -2.02 0.00 0.00 63.50 61.33 1g3g n PRO 44 Cb 0.57 -2.52 -0.07 0.00 -0.02 0.00 0.00 33.50 31.45 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 -1.23 0.02 -4.99 4.25 5.41 -1.26 -4.74 119.36 116.82 1g3g n ILE 45 Ca 0.12 -0.00 -0.29 0.00 1.00 0.00 0.00 62.75 63.57 1g3g n ILE 45 Cb 0.45 -0.40 -0.17 0.00 -0.71 0.00 0.00 39.64 38.81 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 0.63 2.52 -0.28 0.38 6.06 -0.73 -5.02 118.95 122.50 1g3g s ARG 46 Ca 0.90 -0.71 -0.11 0.00 -2.50 0.00 0.00 55.73 53.32 1g3g s ARG 46 Cb -1.17 -1.96 -0.05 0.00 0.06 0.00 0.00 34.95 31.84 1g3g s ARG 46 CO 0.56 0.14 0.18 -0.51 -2.50 0.00 0.00 175.30 173.16 1g3g s ASP 47 N 0.42 5.90 -0.13 -2.12 1.11 -1.26 -1.20 116.67 119.39 1g3g s ASP 47 Ca -0.16 -0.06 -0.16 0.00 0.18 0.00 0.00 52.55 52.35 1g3g s ASP 47 Cb -0.17 -2.09 -0.04 0.00 1.07 0.00 0.00 42.92 41.68 1g3g s ASP 47 CO 0.07 -0.06 0.39 -0.76 1.18 0.00 0.00 175.17 175.99 1g3g s LEU 48 N 1.74 4.27 0.15 1.23 2.01 0.46 -4.97 118.68 123.58 1g3g s LEU 48 Ca 0.07 0.68 0.03 0.00 0.01 0.00 0.00 54.13 54.92 1g3g s LEU 48 Cb -0.16 -2.54 -0.04 0.00 0.01 0.00 0.00 46.19 43.45 1g3g s LEU 48 CO 0.10 0.07 -0.06 -0.44 1.01 0.00 0.00 176.35 177.03 1g3g s SER 49 N 0.44 1.49 -0.19 2.29 0.01 -1.26 -0.06 113.70 116.42 1g3g s SER 49 Ca 0.22 -1.07 -0.22 0.00 1.31 0.00 0.00 55.95 56.18 1g3g s SER 49 Cb -0.14 0.05 0.06 0.00 0.21 0.00 0.00 66.02 66.20 1g3g s SER 49 CO 0.08 -0.44 0.60 0.00 0.41 0.00 0.00 173.24 173.88 1g3g s ALA 50 N -3.49 -1.50 -0.01 1.44 0.00 -1.07 -4.63 121.76 112.49 1g3g s ALA 50 Ca 0.18 1.58 -0.30 0.00 0.00 0.00 0.00 51.96 53.42 1g3g s ALA 50 Cb 0.04 -0.80 -0.05 0.00 0.00 0.00 0.00 23.12 22.31 1g3g s ALA 50 CO 0.01 -0.30 1.44 -0.51 0.00 0.00 0.00 175.76 176.41 1g3g s ASP 51 N 0.02 6.81 0.30 0.00 1.11 -1.26 -4.40 116.67 119.24 1g3g s ASP 51 Ca -0.02 2.13 0.00 0.00 0.18 0.00 0.00 52.55 54.84 1g3g s ASP 51 Cb -0.04 -2.56 0.46 0.00 1.07 0.00 0.00 42.92 41.85 1g3g s ASP 51 CO 0.02 -0.76 1.84 0.40 1.18 0.00 0.00 175.17 177.85 1g3g h ILE 52 N 5.03 1.22 -0.62 0.77 2.04 -1.93 -2.51 117.51 121.50 1g3g h ILE 52 Ca -0.38 -0.79 0.09 0.00 1.00 0.00 0.00 64.86 64.78 1g3g h ILE 52 Cb 1.17 0.73 -0.04 0.00 -0.74 0.00 0.00 36.82 37.95 1g3g h ILE 52 CO 0.92 0.29 0.42 -1.28 0.00 0.00 0.00 178.15 178.49 1g3g h SER 53 N 0.73 0.44 -0.55 1.72 0.87 -1.99 -0.49 113.55 114.27 1g3g h SER 53 Ca 0.16 0.01 -0.05 0.00 -1.23 0.00 0.00 61.79 60.68 1g3g h SER 53 Cb 0.29 -0.08 -0.03 0.00 -0.44 0.00 0.00 62.40 62.14 1g3g h SER 53 CO 0.00 0.27 0.16 1.56 -0.53 0.00 0.00 176.83 178.29 1g3g h GLN 54 N 0.49 0.91 -0.05 2.24 4.20 -1.79 -1.29 115.11 119.82 1g3g h GLN 54 Ca 0.28 -0.19 -0.08 0.00 0.06 0.00 0.00 58.65 58.73 1g3g h GLN 54 Cb 0.48 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.12 1g3g h GLN 54 CO -0.09 0.80 -0.28 0.28 -0.67 0.00 0.00 178.83 178.88 1g3g h VAL 55 N 0.88 1.46 -0.44 -0.54 2.07 -1.19 0.58 116.25 119.06 1g3g h VAL 55 Ca 0.19 -1.75 0.02 0.00 0.82 0.00 0.00 66.70 65.99 1g3g h VAL 55 Cb 0.29 2.44 -0.02 0.00 -1.52 0.00 0.00 31.29 32.47 1g3g h VAL 55 CO -0.00 0.49 0.29 0.25 0.02 0.00 0.00 177.57 178.62 1g3g h LEU 56 N -0.27 0.46 0.08 2.57 5.85 -1.16 -2.69 115.31 120.14 1g3g h LEU 56 Ca -0.02 -0.01 -0.33 0.00 0.84 0.00 0.00 57.88 58.36 1g3g h LEU 56 Cb 0.94 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.84 1g3g h LEU 56 CO 0.06 0.32 -1.85 0.11 -0.34 0.00 0.00 178.44 176.74 1g3g h LYS 57 N 0.54 0.18 -6.85 1.25 1.79 -1.25 -3.48 116.57 108.73 1g3g h LYS 57 Ca 0.17 -0.30 -0.57 0.00 -2.18 0.00 0.00 60.65 57.77 1g3g h LYS 57 Cb 0.03 0.11 -0.18 0.00 -1.58 0.00 0.00 32.23 30.61 1g3g h LYS 57 CO -0.04 0.96 -0.91 -0.85 -1.08 0.00 0.00 179.45 177.53 1g3g n GLU 58 N -3.33 -2.05 -0.01 3.15 0.28 0.20 -4.89 120.64 113.98 1g3g n GLU 58 Ca -0.25 0.25 -0.00 0.00 -0.16 0.00 0.00 57.16 56.99 1g3g n GLU 58 Cb 1.05 -4.29 -0.00 0.00 1.43 0.00 0.00 31.44 29.63 1g3g n GLU 58 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 177.13 176.75 1g3g h LYS 59 N -1.64 0.00 0.00 3.44 3.11 -1.91 -3.47 116.57 116.10 1g3g h LYS 59 Ca -0.63 0.00 -0.22 0.00 -2.81 0.00 0.00 60.65 56.99 1g3g h LYS 59 Cb 1.39 0.00 -0.15 0.00 -1.00 0.00 0.00 32.23 32.47 1g3g h LYS 59 CO 0.72 0.00 -0.35 -2.13 -2.81 0.00 0.00 179.45 174.88 1g3g n ARG 60 N -2.70 1.16 -1.01 1.90 0.63 -1.26 -4.95 116.66 110.42 1g3g n ARG 60 Ca -0.01 -1.80 -0.06 0.00 -0.92 0.00 0.00 57.85 55.06 1g3g n ARG 60 Cb 0.03 -0.15 -0.06 0.00 0.45 0.00 0.00 32.46 32.73 1g3g n ARG 60 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 1g3g n SER 61 N -0.49 -0.80 -3.34 6.15 7.64 -1.26 -5.00 113.62 116.53 1g3g n SER 61 Ca -0.03 -1.95 -0.34 0.00 1.01 0.00 0.00 58.87 57.57 1g3g n SER 61 Cb 0.83 0.24 -0.02 0.00 -1.01 0.00 0.00 64.21 64.25 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 0.04 4.39 -2.72 0.44 0.13 -1.26 -4.77 119.36 115.60 1g3g n ILE 62 Ca -0.24 -5.74 -0.06 0.00 -1.10 0.00 0.00 62.75 55.60 1g3g n ILE 62 Cb 0.72 -1.57 0.05 0.00 -0.84 0.00 0.00 39.64 38.01 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 0.04 0.53 -4.37 9.51 5.02 -1.26 -4.47 118.16 123.16 1g3g n LYS 63 Ca 0.37 -1.41 -0.34 0.00 -2.02 0.00 0.00 58.31 54.90 1g3g n LYS 63 Cb 0.34 -1.03 -0.11 0.00 -0.02 0.00 0.00 35.03 34.20 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 0.56 3.50 -0.04 1.97 2.20 -1.03 -4.96 119.74 121.94 1g3g s LYS 64 Ca 0.30 -0.48 0.04 0.00 -0.36 0.00 0.00 55.97 55.47 1g3g s LYS 64 Cb 0.20 -2.90 -0.00 0.00 -1.51 0.00 0.00 37.83 33.62 1g3g s LYS 64 CO -0.18 0.37 -0.15 0.08 -0.36 0.00 0.00 175.35 175.11 1g3g s VAL 65 N 0.02 1.29 -0.11 4.02 1.01 -1.26 -0.05 120.40 125.32 1g3g s VAL 65 Ca 0.01 -0.64 -0.08 0.00 0.00 0.00 0.00 61.98 61.27 1g3g s VAL 65 Cb -0.13 -1.11 -0.04 0.00 0.00 0.00 0.00 36.38 35.09 1g3g s VAL 65 CO 0.02 0.38 0.17 0.26 0.00 0.00 0.00 175.10 175.93 1g3g s TRP 66 N 0.07 3.61 -0.05 5.22 0.51 0.56 -4.89 118.94 123.98 1g3g s TRP 66 Ca -0.03 0.58 0.02 0.00 -2.12 0.00 0.00 56.10 54.55 1g3g s TRP 66 Cb -0.11 -1.98 0.01 0.00 -0.81 0.00 0.00 33.47 30.59 1g3g s TRP 66 CO 0.02 0.73 -0.09 0.99 -0.51 0.00 0.00 176.95 178.09 1g3g s THR 67 N -1.03 0.85 -0.28 2.01 2.01 -1.26 0.23 115.64 118.17 1g3g s THR 67 Ca 0.16 -0.33 -0.10 0.00 0.31 0.00 0.00 61.69 61.73 1g3g s THR 67 Cb -0.13 -0.80 -0.03 0.00 0.01 0.00 0.00 72.50 71.55 1g3g s THR 67 CO 0.05 0.29 0.15 -0.36 -0.69 0.00 0.00 174.62 174.05 1g3g s PHE 68 N 0.62 3.17 -5.00 4.92 0.08 0.34 0.32 117.98 122.43 1g3g s PHE 68 Ca -0.11 -0.19 0.00 0.00 0.12 0.00 0.00 56.93 56.75 1g3g s PHE 68 Cb -0.14 -2.34 0.00 0.00 -0.57 0.00 0.00 43.02 39.98 1g3g s PHE 68 CO 0.02 -0.29 0.00 0.41 -0.10 0.00 0.00 175.22 175.26 1g3g n GLY 69 N 5.01 -0.40 3.56 4.36 0.00 -1.21 0.20 105.19 116.71 1g3g n GLY 69 Ca -0.15 -1.07 -0.36 0.00 0.00 0.00 0.00 46.02 44.45 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 3.11 0.03 1.61 1.70 -1.25 -3.61 118.95 118.53 1g3g s ARG 70 Ca 0.00 -0.62 -0.14 0.00 -0.47 0.00 0.00 55.73 54.50 1g3g s ARG 70 Cb 0.00 -5.07 0.02 0.00 -0.57 0.00 0.00 34.95 29.33 1g3g s ARG 70 CO 0.00 -2.66 0.31 -0.80 -1.08 0.00 0.00 175.30 171.07 1g3g s ASN 71 N 6.17 -0.15 0.06 -2.89 -0.87 -1.26 -4.72 114.94 111.28 1g3g s ASN 71 Ca 0.55 -0.10 0.03 0.00 -1.57 0.00 0.00 52.86 51.77 1g3g s ASN 71 Cb -0.04 0.34 0.16 0.00 -0.02 0.00 0.00 41.25 41.70 1g3g s ASN 71 CO -0.02 -0.56 1.00 -2.65 -2.57 0.00 0.00 177.10 172.29 1g3g n PRO 72 N 0.79 0.02 0.00 -0.60 -0.02 -1.26 -3.94 135.00 129.99 1g3g n PRO 72 Ca -0.19 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 61.72 1g3g n PRO 72 Cb 0.58 -1.68 0.00 0.00 -0.02 0.00 0.00 33.50 32.39 1g3g n PRO 72 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1g3g n ALA 73 N -1.45 0.00 0.01 3.55 0.00 -1.26 -4.35 120.51 117.02 1g3g n ALA 73 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 1g3g n ALA 73 Cb 0.12 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.56 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 -2.55 1.95 -3.84 0.00 -0.08 0.94 -4.44 116.55 108.54 1g3g n ASP 75 Ca -0.01 0.30 -0.12 0.00 -1.51 0.00 0.00 54.79 53.45 1g3g n ASP 75 Cb 0.02 -0.83 -0.12 0.00 2.34 0.00 0.00 41.12 42.54 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 -0.45 -0.67 6.14 -1.15 -4.88 117.35 113.77 1g3g s TYR 76 Ca -0.33 0.24 -0.20 0.00 0.64 0.00 0.00 57.07 57.42 1g3g s TYR 76 Cb 0.10 0.02 0.03 0.00 0.42 0.00 0.00 41.96 42.53 1g3g s TYR 76 CO 0.57 -0.13 0.62 -1.58 0.64 0.00 0.00 175.55 175.67 1g3g s HIS 77 N -0.31 3.07 0.44 4.97 5.65 -1.26 -3.98 115.29 123.87 1g3g s HIS 77 Ca -0.04 -0.17 0.03 0.00 0.25 0.00 0.00 55.06 55.14 1g3g s HIS 77 Cb -0.03 -3.32 -0.04 0.00 -1.18 0.00 0.00 32.58 28.02 1g3g s HIS 77 CO 0.00 -0.88 0.04 -0.48 -0.65 0.00 0.00 174.74 172.78 1g3g s LEU 78 N 2.72 2.33 0.00 8.88 0.05 -1.24 -4.91 118.68 126.52 1g3g s LEU 78 Ca 0.20 -1.56 -0.02 0.00 0.05 0.00 0.00 54.13 52.80 1g3g s LEU 78 Cb -0.15 -0.57 0.03 0.00 -2.05 0.00 0.00 46.19 43.45 1g3g s LEU 78 CO 0.17 -0.75 0.08 0.61 -0.55 0.00 0.00 176.35 175.91 1g3g n GLY 79 N -1.04 -3.37 3.13 -3.48 0.00 -1.26 -4.54 105.19 94.64 1g3g n GLY 79 Ca -0.11 -1.30 -0.37 0.00 0.00 0.00 0.00 46.02 44.24 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 -2.00 5.35 -0.29 1.61 4.22 -1.26 -4.35 114.94 118.22 1g3g s ASN 80 Ca 0.06 -2.13 -0.02 0.00 -2.14 0.00 0.00 52.86 48.63 1g3g s ASN 80 Cb -0.01 -1.87 0.04 0.00 1.28 0.00 0.00 41.25 40.69 1g3g s ASN 80 CO 0.05 -0.55 -0.01 -0.63 -2.04 0.00 0.00 177.10 173.92 1g3g s ILE 81 N 1.01 3.07 0.61 0.54 1.09 -1.26 -4.98 121.20 121.28 1g3g s ILE 81 Ca 0.09 -1.22 0.30 0.00 -1.10 0.00 0.00 60.65 58.72 1g3g s ILE 81 Cb -0.23 -2.69 0.36 0.00 -1.06 0.00 0.00 42.46 38.84 1g3g s ILE 81 CO -0.04 -0.01 2.04 -1.28 -0.10 0.00 0.00 174.94 175.55 1g3g h SER 82 N 8.03 0.00 0.00 3.58 0.87 -2.00 -3.20 113.55 120.83 1g3g h SER 82 Ca -0.25 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.31 1g3g h SER 82 Cb 1.08 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.04 1g3g h SER 82 CO 0.55 0.00 0.00 0.54 -0.53 0.00 0.00 176.83 177.39 1g3g n ARG 83 N -3.56 0.00 -3.75 2.24 3.00 -1.26 -4.96 116.66 108.36 1g3g n ARG 83 Ca 0.02 0.00 -0.38 0.00 -0.01 0.00 0.00 57.85 57.49 1g3g n ARG 83 Cb 0.40 0.00 -0.12 0.00 0.00 0.00 0.00 32.46 32.73 1g3g n ARG 83 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1g3g s LEU 84 N 0.00 4.11 0.00 0.55 2.01 -1.26 -4.51 118.68 119.57 1g3g s LEU 84 Ca 0.00 -0.94 0.00 0.00 0.01 0.00 0.00 54.13 53.20 1g3g s LEU 84 Cb 0.00 -1.88 0.00 0.00 0.01 0.00 0.00 46.19 44.32 1g3g s LEU 84 CO 0.00 -0.27 0.00 -1.20 1.01 0.00 0.00 176.35 175.89 1g3g n SER 85 N 4.84 0.00 -3.58 2.29 7.64 -1.26 -4.96 113.62 118.59 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 0.46 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.66 1g3g n SER 85 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1g3g n ASN 86 N 0.00 0.00 -3.88 6.43 3.02 -1.21 -3.76 115.26 115.85 1g3g n ASN 86 Ca 0.00 0.00 -0.18 0.00 -0.03 0.00 0.00 54.58 54.37 1g3g n ASN 86 Cb 0.00 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.11 1g3g n ASN 86 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1g3g n LYS 87 N 0.00 0.01 0.07 3.52 5.02 -1.25 -3.32 118.16 122.21 1g3g n LYS 87 Ca 0.00 -0.55 0.12 0.00 -2.02 0.00 0.00 58.31 55.85 1g3g n LYS 87 Cb 0.00 -1.87 0.05 0.00 -0.02 0.00 0.00 35.03 33.18 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 7.46 0.66 -3.60 2.13 -0.00 0.13 -4.32 115.22 117.68 1g3g n HIS 88 Ca 0.22 0.19 -0.05 0.00 0.46 0.00 0.00 57.72 58.53 1g3g n HIS 88 Cb 0.37 -0.74 -0.04 0.00 -0.12 0.00 0.00 29.99 29.46 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 -3.28 -0.17 0.08 1.57 5.36 0.19 -2.71 117.98 119.02 1g3g s PHE 89 Ca 0.02 0.24 0.01 0.00 -0.96 0.00 0.00 56.93 56.24 1g3g s PHE 89 Cb 0.12 0.49 -0.04 0.00 -0.34 0.00 0.00 43.02 43.25 1g3g s PHE 89 CO 0.78 -0.19 -0.06 -0.65 -1.46 0.00 0.00 175.22 173.63 1g3g s GLN 90 N -1.56 0.74 -0.06 10.12 -0.21 0.28 0.13 119.66 129.09 1g3g s GLN 90 Ca 0.06 -1.22 0.03 0.00 0.02 0.00 0.00 55.36 54.24 1g3g s GLN 90 Cb -0.01 -0.14 0.01 0.00 1.00 0.00 0.00 33.01 33.87 1g3g s GLN 90 CO -0.04 -0.03 -0.14 0.42 -2.12 0.00 0.00 175.29 173.38 1g3g s ILE 91 N -3.34 1.24 -0.08 1.08 1.01 0.63 0.11 121.20 121.86 1g3g s ILE 91 Ca 0.08 -0.57 0.01 0.00 0.00 0.00 0.00 60.65 60.17 1g3g s ILE 91 Cb 0.03 -1.11 -0.03 0.00 0.01 0.00 0.00 42.46 41.37 1g3g s ILE 91 CO -0.05 0.37 -0.09 -0.22 0.00 0.00 0.00 174.94 174.96 1g3g s LEU 92 N 0.46 3.04 -0.09 2.97 2.96 0.32 0.21 118.68 128.55 1g3g s LEU 92 Ca -0.12 -0.10 0.03 0.00 -0.22 0.00 0.00 54.13 53.72 1g3g s LEU 92 Cb -0.14 -1.66 0.01 0.00 0.50 0.00 0.00 46.19 44.89 1g3g s LEU 92 CO 0.04 0.31 -0.18 -0.22 -1.32 0.00 0.00 176.35 174.98 1g3g s LEU 93 N -0.53 1.87 0.00 -0.68 1.98 0.92 0.12 118.68 122.36 1g3g s LEU 93 Ca 0.08 -0.44 0.00 0.00 -2.89 0.00 0.00 54.13 50.87 1g3g s LEU 93 Cb -0.12 -1.14 0.00 0.00 0.66 0.00 0.00 46.19 45.59 1g3g s LEU 93 CO 0.02 0.09 0.00 0.61 -1.89 0.00 0.00 176.35 175.18 1g3g n GLY 94 N 3.75 0.52 3.11 7.98 0.00 0.16 -2.46 105.19 118.25 1g3g n GLY 94 Ca -0.21 -1.03 -0.05 0.00 0.00 0.00 0.00 46.02 44.74 1g3g n GLY 94 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1g3g n GLU 95 N 0.00 -1.61 -2.61 1.61 -0.58 -1.26 0.11 120.64 116.29 1g3g n GLU 95 Ca 0.00 1.28 -0.19 0.00 -0.42 0.00 0.00 57.16 57.84 1g3g n GLU 95 Cb 0.00 -5.76 0.01 0.00 -0.57 0.00 0.00 31.44 25.12 1g3g n GLU 95 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1g3g n ASP 96 N -2.24 -5.44 -1.53 1.62 8.00 -1.26 -3.99 116.55 111.71 1g3g n ASP 96 Ca -0.02 -0.13 -0.00 0.00 0.71 0.00 0.00 54.79 55.35 1g3g n ASP 96 Cb 0.54 -4.40 0.00 0.00 -0.02 0.00 0.00 41.12 37.24 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 -1.21 -0.63 3.86 0.44 0.00 -1.18 -5.11 105.19 101.37 1g3g n GLY 97 Ca -0.16 -0.10 -0.03 0.00 0.00 0.00 0.00 46.02 45.72 1g3g n GLY 97 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1g3g s ASN 98 N -1.22 -0.01 -0.09 1.61 3.84 0.30 -4.98 114.94 114.37 1g3g s ASN 98 Ca 0.00 -0.67 0.04 0.00 0.21 0.00 0.00 52.86 52.45 1g3g s ASN 98 Cb -0.00 0.51 -0.00 0.00 -0.55 0.00 0.00 41.25 41.21 1g3g s ASN 98 CO 0.02 -1.01 -0.24 -0.76 -2.79 0.00 0.00 177.10 172.32 1g3g s LEU 99 N -3.34 2.10 0.07 3.21 2.01 -1.26 0.40 118.68 121.86 1g3g s LEU 99 Ca 0.21 -0.55 0.07 0.00 0.01 0.00 0.00 54.13 53.86 1g3g s LEU 99 Cb -0.03 -1.41 -0.03 0.00 0.01 0.00 0.00 46.19 44.74 1g3g s LEU 99 CO 0.05 0.17 -0.18 -0.76 1.01 0.00 0.00 176.35 176.65 1g3g s LEU 100 N 0.27 2.24 -0.12 1.79 2.01 0.31 -1.54 118.68 123.63 1g3g s LEU 100 Ca -0.17 -0.59 0.01 0.00 0.01 0.00 0.00 54.13 53.40 1g3g s LEU 100 Cb -0.17 -0.75 -0.01 0.00 0.01 0.00 0.00 46.19 45.26 1g3g s LEU 100 CO 0.08 0.04 -0.16 -0.76 1.01 0.00 0.00 176.35 176.56 1g3g s LEU 101 N -1.55 2.52 -0.30 1.79 1.43 0.35 0.12 118.68 123.04 1g3g s LEU 101 Ca 0.04 -0.40 -0.03 0.00 -1.03 0.00 0.00 54.13 52.70 1g3g s LEU 101 Cb -0.09 -1.55 0.04 0.00 0.03 0.00 0.00 46.19 44.62 1g3g s LEU 101 CO 0.03 0.16 0.02 0.21 0.23 0.00 0.00 176.35 176.99 1g3g s ASN 102 N 0.38 4.90 -0.42 2.29 2.47 0.31 0.20 114.94 125.08 1g3g s ASN 102 Ca -0.13 -1.13 -0.26 0.00 0.42 0.00 0.00 52.86 51.76 1g3g s ASN 102 Cb -0.16 -1.75 0.02 0.00 -1.45 0.00 0.00 41.25 37.91 1g3g s ASN 102 CO 0.06 -0.25 0.97 -1.81 -3.72 0.00 0.00 177.10 172.35 1g3g s ASP 103 N 1.31 6.62 -0.26 -4.21 1.01 -1.24 0.99 116.67 120.89 1g3g s ASP 103 Ca -0.03 0.42 0.02 0.00 0.71 0.00 0.00 52.55 53.67 1g3g s ASP 103 Cb -0.19 -2.48 0.07 0.00 1.01 0.00 0.00 42.92 41.33 1g3g s ASP 103 CO -0.01 -0.99 -0.05 0.27 0.21 0.00 0.00 175.17 174.61 1g3g s ILE 104 N 3.74 1.84 0.31 0.77 -4.36 -1.23 0.12 121.20 122.39 1g3g s ILE 104 Ca 0.40 -1.56 0.04 0.00 -0.26 0.00 0.00 60.65 59.26 1g3g s ILE 104 Cb -0.10 -2.10 -0.06 0.00 1.25 0.00 0.00 42.46 41.44 1g3g s ILE 104 CO 0.23 -0.19 0.06 -0.44 0.24 0.00 0.00 174.94 174.84 1g3g s SER 105 N 1.23 2.21 -0.01 4.36 0.01 -1.10 0.56 113.70 120.96 1g3g s SER 105 Ca -0.03 -1.36 -0.15 0.00 1.31 0.00 0.00 55.95 55.71 1g3g s SER 105 Cb -0.19 -0.05 -0.08 0.00 0.21 0.00 0.00 66.02 65.90 1g3g s SER 105 CO -0.07 -0.61 0.77 0.74 0.41 0.00 0.00 173.24 174.48 1g3g h THR 106 N 2.17 0.00 0.00 1.44 2.02 -1.83 -3.43 112.91 113.29 1g3g h THR 106 Ca -0.40 -0.33 -0.15 0.00 0.77 0.00 0.00 66.41 66.29 1g3g h THR 106 Cb 1.24 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.62 1g3g h THR 106 CO 0.68 0.00 -1.58 -0.46 0.37 0.00 0.00 175.52 174.53 1g3g n ASN 107 N -4.39 3.04 -3.73 4.18 0.23 -1.26 -5.05 115.26 108.26 1g3g n ASN 107 Ca -0.07 -0.02 -0.12 0.00 -0.53 0.00 0.00 54.58 53.84 1g3g n ASN 107 Cb 0.22 0.41 -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 -4.36 -0.17 -0.03 4.83 0.00 -1.26 -5.04 107.32 101.29 1g3g s GLY 108 Ca -0.08 1.00 0.07 0.00 0.00 0.00 0.00 44.72 45.71 1g3g s GLY 108 CO 0.31 1.19 -0.24 -1.59 0.00 0.00 0.00 173.10 172.76 1g3g s THR 109 N 1.08 1.94 0.12 0.90 2.01 -1.26 -4.19 115.64 116.24 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 -1.62 -0.04 0.00 0.01 0.00 0.00 72.50 70.76 1g3g s THR 109 CO -0.07 0.55 -0.26 0.26 -0.69 0.00 0.00 174.62 174.40 1g3g s TRP 110 N -0.40 2.32 -0.23 4.92 0.51 0.45 -0.44 118.94 126.08 1g3g s TRP 110 Ca 0.04 -0.38 0.01 0.00 -2.12 0.00 0.00 56.10 53.66 1g3g s TRP 110 Cb -0.11 -1.27 0.05 0.00 -0.81 0.00 0.00 33.47 31.33 1g3g s TRP 110 CO 0.01 0.32 -0.09 -1.17 -0.51 0.00 0.00 176.95 175.50 1g3g s LEU 111 N -1.97 2.67 -1.61 2.99 2.96 -0.38 0.16 118.68 123.50 1g3g s LEU 111 Ca 0.14 -1.10 -0.13 0.00 -0.22 0.00 0.00 54.13 52.82 1g3g s LEU 111 Cb -0.10 -1.31 0.11 0.00 0.50 0.00 0.00 46.19 45.39 1g3g s LEU 111 CO 0.06 -0.18 0.67 0.59 -1.32 0.00 0.00 176.35 176.17 1g3g n ASN 112 N 4.61 -2.45 0.00 3.68 3.02 -0.48 0.55 115.26 124.19 1g3g n ASN 112 Ca -0.14 -1.01 0.00 0.00 -0.03 0.00 0.00 54.58 53.40 1g3g n ASN 112 Cb 0.45 -2.86 0.00 0.00 -0.61 0.00 0.00 39.78 36.75 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 -1.61 1.51 3.17 7.41 0.00 -1.26 -4.99 105.19 109.41 1g3g n GLY 113 Ca -0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.60 1g3g n GLY 113 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1g3g s GLN 114 N -0.20 2.22 0.17 1.61 0.74 0.19 -5.07 119.66 119.32 1g3g s GLN 114 Ca 0.00 -1.67 -0.32 0.00 0.05 0.00 0.00 55.36 53.42 1g3g s GLN 114 Cb 0.00 -3.60 -0.17 0.00 1.10 0.00 0.00 33.01 30.34 1g3g s GLN 114 CO 0.00 -1.00 0.89 1.17 -0.55 0.00 0.00 175.29 175.80 1g3g n LYS 115 N 4.69 0.55 -4.44 1.67 4.81 -1.26 -1.25 118.16 122.93 1g3g n LYS 115 Ca -0.06 0.19 -0.22 0.00 -0.87 0.00 0.00 58.31 57.36 1g3g n LYS 115 Cb 0.42 -1.49 -0.10 0.00 0.02 0.00 0.00 35.03 33.87 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 -0.58 1.85 0.35 3.15 0.11 0.42 -4.77 120.40 120.93 1g3g s VAL 116 Ca 0.71 -2.18 -0.27 0.00 -2.93 0.00 0.00 61.98 57.30 1g3g s VAL 116 Cb -0.94 -2.39 -0.09 0.00 -1.53 0.00 0.00 36.38 31.43 1g3g s VAL 116 CO 0.56 -0.35 1.20 -0.70 -3.33 0.00 0.00 175.10 172.48 1g3g s GLU 117 N -3.67 4.28 0.86 1.54 2.56 -1.26 -4.30 118.70 118.70 1g3g s GLU 117 Ca 0.29 1.96 -0.11 0.00 0.00 0.00 0.00 54.97 57.10 1g3g s GLU 117 Cb 0.02 -2.92 0.11 0.00 2.00 0.00 0.00 34.13 33.34 1g3g s GLU 117 CO 0.12 -0.16 1.09 0.21 -0.56 0.00 0.00 175.26 175.96 1g3g s LYS 118 N -1.95 1.56 -1.16 4.30 2.20 -1.26 -3.30 119.74 120.14 1g3g s LYS 118 Ca 0.52 1.03 -0.15 0.00 -0.36 0.00 0.00 55.97 57.01 1g3g s LYS 118 Cb -0.34 -1.83 0.15 0.00 -1.51 0.00 0.00 37.83 34.30 1g3g s LYS 118 CO 0.44 -2.09 0.37 0.27 -0.36 0.00 0.00 175.35 173.97 1g3g n ASN 119 N -3.81 -1.27 -4.24 1.43 0.23 0.33 -4.85 115.26 103.08 1g3g n ASN 119 Ca 0.08 -0.69 -0.37 0.00 -0.53 0.00 0.00 54.58 53.07 1g3g n ASN 119 Cb 0.54 -1.13 -0.13 0.00 -2.08 0.00 0.00 39.78 36.98 1g3g n ASN 119 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 1g3g s SER 120 N -2.48 5.17 0.36 0.53 1.04 -1.21 -4.91 113.70 112.21 1g3g s SER 120 Ca 0.51 -1.20 -0.28 0.00 0.48 0.00 0.00 55.95 55.46 1g3g s SER 120 Cb -0.30 -1.81 -0.11 0.00 0.10 0.00 0.00 66.02 63.89 1g3g s SER 120 CO 0.63 -0.31 1.48 0.59 0.98 0.00 0.00 173.24 176.61 1g3g n ASN 121 N 4.74 3.70 -4.18 7.02 4.13 -1.25 -3.64 115.26 125.78 1g3g n ASN 121 Ca -0.13 1.22 -0.20 0.00 1.68 0.00 0.00 54.58 57.16 1g3g n ASN 121 Cb 0.44 -1.60 -0.12 0.00 -1.54 0.00 0.00 39.78 36.95 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 -1.91 0.90 -0.33 3.52 -1.52 0.55 -4.82 119.66 116.05 1g3g s GLN 122 Ca 0.55 -0.92 -0.29 0.00 -1.95 0.00 0.00 55.36 52.75 1g3g s GLN 122 Cb -0.49 -0.94 -0.01 0.00 -0.22 0.00 0.00 33.01 31.35 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 -1.56 3.69 0.44 2.90 1.98 -1.26 0.13 118.68 125.01 1g3g s LEU 123 Ca 0.00 1.19 -0.21 0.00 -2.89 0.00 0.00 54.13 52.23 1g3g s LEU 123 Cb -0.09 -3.53 -0.14 0.00 0.66 0.00 0.00 46.19 43.09 1g3g s LEU 123 CO 0.02 -1.39 0.27 -0.11 -1.89 0.00 0.00 176.35 173.25 1g3g n LEU 124 N 8.83 -1.57 -4.28 -0.68 0.00 -0.59 -4.88 117.00 113.82 1g3g n LEU 124 Ca 0.18 0.82 -0.21 0.00 0.00 0.00 0.00 56.01 56.80 1g3g n LEU 124 Cb 0.47 -0.99 -0.12 0.00 0.00 0.00 0.00 43.42 42.78 1g3g n LEU 124 CO 0.67 -3.70 -0.48 -0.44 0.00 0.00 0.00 177.39 173.45 1g3g s SER 125 N -1.00 2.38 -0.27 1.96 0.01 -1.26 -5.04 113.70 110.47 1g3g s SER 125 Ca 0.61 -0.78 -0.29 0.00 1.31 0.00 0.00 55.95 56.81 1g3g s SER 125 Cb -0.58 -0.12 -0.01 0.00 0.21 0.00 0.00 66.02 65.51 1g3g s SER 125 CO 0.61 -0.04 1.53 -1.58 0.41 0.00 0.00 173.24 174.17 1g3g s GLN 126 N -2.42 3.75 -1.13 12.44 -0.44 -1.26 -2.41 119.66 128.19 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 -4.01 0.00 0.00 -1.64 0.00 0.00 33.01 27.29 1g3g s GLN 126 CO 0.05 -1.34 0.00 0.41 0.50 0.00 0.00 175.29 174.91 1g3g n GLY 127 N 4.70 0.25 3.43 2.59 0.00 -1.20 -4.97 105.19 110.00 1g3g n GLY 127 Ca 0.18 -0.39 -0.33 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.26 -1.83 -3.76 1.61 -0.08 -1.01 -4.54 116.55 106.67 1g3g n ASP 128 Ca -0.14 0.28 -0.13 0.00 -1.51 0.00 0.00 54.79 53.29 1g3g n ASP 128 Cb 0.56 -1.21 -0.13 0.00 2.34 0.00 0.00 41.12 42.68 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 -3.75 0.23 -0.13 -0.67 2.12 -1.26 0.12 118.70 115.36 1g3g s GLU 129 Ca 0.58 0.41 0.01 0.00 0.36 0.00 0.00 54.97 56.33 1g3g s GLU 129 Cb -0.20 -0.00 -0.01 0.00 0.26 0.00 0.00 34.13 34.17 1g3g s GLU 129 CO 0.66 -0.10 -0.16 0.42 -0.54 0.00 0.00 175.26 175.55 1g3g s ILE 130 N 0.70 2.76 -0.05 -3.70 1.01 0.22 -1.38 121.20 120.77 1g3g s ILE 130 Ca -0.05 -0.76 -0.03 0.00 0.00 0.00 0.00 60.65 59.82 1g3g s ILE 130 Cb -0.06 -2.15 -0.04 0.00 0.01 0.00 0.00 42.46 40.22 1g3g s ILE 130 CO -0.04 0.53 0.10 -0.89 0.00 0.00 0.00 174.94 174.63 1g3g s THR 131 N 0.51 4.96 0.05 2.92 2.01 0.44 0.14 115.64 126.66 1g3g s THR 131 Ca -0.10 -0.19 -0.02 0.00 0.31 0.00 0.00 61.69 61.69 1g3g s THR 131 Cb -0.16 -3.22 -0.03 0.00 0.01 0.00 0.00 72.50 69.09 1g3g s THR 131 CO 0.04 0.45 -0.01 0.68 -0.69 0.00 0.00 174.62 175.10 1g3g s VAL 132 N -1.12 0.19 -0.46 3.82 -7.23 0.36 0.17 120.40 116.13 1g3g s VAL 132 Ca 0.20 -1.59 -0.02 0.00 -1.81 0.00 0.00 61.98 58.76 1g3g s VAL 132 Cb -0.12 -1.28 0.00 0.00 0.56 0.00 0.00 36.38 35.54 1g3g s VAL 132 CO 0.10 -0.88 0.40 0.61 -0.31 0.00 0.00 175.10 175.02 1g3g n GLY 133 N 0.36 0.31 3.85 2.32 0.00 -1.26 -0.51 105.19 110.25 1g3g n GLY 133 Ca -0.16 -0.32 -0.32 0.00 0.00 0.00 0.00 46.02 45.23 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 -3.12 4.58 0.00 1.61 1.01 -1.26 -3.70 120.40 119.52 1g3g s VAL 134 Ca 0.12 1.10 0.00 0.00 0.00 0.00 0.00 61.98 63.20 1g3g s VAL 134 Cb -0.05 -3.71 0.00 0.00 0.00 0.00 0.00 36.38 32.62 1g3g s VAL 134 CO 0.26 -0.60 0.00 0.61 0.00 0.00 0.00 175.10 175.37 1g3g n GLY 135 N -1.38 2.76 3.10 4.51 0.00 -1.26 -5.03 105.19 107.89 1g3g n GLY 135 Ca 0.06 -0.34 -0.26 0.00 0.00 0.00 0.00 46.02 45.48 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 1.35 0.43 1.61 1.01 -1.26 -5.02 120.40 118.52 1g3g s VAL 136 Ca 0.00 -0.64 0.20 0.00 0.00 0.00 0.00 61.98 61.53 1g3g s VAL 136 Cb 0.00 -1.19 0.40 0.00 0.00 0.00 0.00 36.38 35.59 1g3g s VAL 136 CO 0.00 0.40 1.84 -0.08 0.00 0.00 0.00 175.10 177.26 1g3g h GLU 137 N 6.57 0.34 -0.36 2.72 4.57 -1.99 0.42 114.58 126.86 1g3g h GLU 137 Ca -0.30 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 57.85 1g3g h GLU 137 Cb 1.19 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.70 1g3g h GLU 137 CO 0.48 0.23 0.00 0.45 -1.18 0.00 0.00 179.01 178.98 1g3g n SER 138 N -4.50 2.62 -0.85 1.04 2.88 -1.26 -4.17 113.62 109.38 1g3g n SER 138 Ca 0.20 -1.90 0.05 0.00 -1.33 0.00 0.00 58.87 55.90 1g3g n SER 138 Cb 0.77 -0.23 0.15 0.00 -0.75 0.00 0.00 64.21 64.15 1g3g n SER 138 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1g3g n ASP 139 N 0.94 1.50 -4.67 -3.46 2.03 0.15 -5.04 116.55 107.99 1g3g n ASP 139 Ca 0.18 -3.30 -0.34 0.00 0.52 0.00 0.00 54.79 51.84 1g3g n ASP 139 Cb 0.46 -0.46 -0.10 0.00 -0.72 0.00 0.00 41.12 40.30 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 -2.24 4.20 -0.05 5.18 1.01 -1.13 -4.45 121.20 123.71 1g3g s ILE 140 Ca 0.36 -0.36 0.05 0.00 0.00 0.00 0.00 60.65 60.70 1g3g s ILE 140 Cb 0.37 -2.78 -0.01 0.00 0.01 0.00 0.00 42.46 40.05 1g3g s ILE 140 CO -0.10 0.55 -0.21 -0.76 0.00 0.00 0.00 174.94 174.42 1g3g s LEU 141 N -1.04 1.99 0.18 2.97 1.02 0.33 -5.00 118.68 119.13 1g3g s LEU 141 Ca 0.15 -0.43 0.08 0.00 0.02 0.00 0.00 54.13 53.94 1g3g s LEU 141 Cb -0.11 -1.17 -0.04 0.00 0.02 0.00 0.00 46.19 44.88 1g3g s LEU 141 CO 0.04 0.19 -0.05 -0.44 0.02 0.00 0.00 176.35 176.11 1g3g s SER 142 N -0.01 4.50 0.02 2.29 0.01 -1.26 0.14 113.70 119.39 1g3g s SER 142 Ca -0.05 -0.50 0.05 0.00 1.31 0.00 0.00 55.95 56.76 1g3g s SER 142 Cb -0.13 -0.86 -0.02 0.00 0.21 0.00 0.00 66.02 65.22 1g3g s SER 142 CO 0.03 0.09 -0.14 -0.76 0.41 0.00 0.00 173.24 172.88 1g3g s LEU 143 N -2.90 2.13 -0.00 2.44 2.01 0.37 -3.89 118.68 118.82 1g3g s LEU 143 Ca 0.26 -0.39 0.07 0.00 0.01 0.00 0.00 54.13 54.08 1g3g s LEU 143 Cb -0.09 -0.62 -0.02 0.00 0.01 0.00 0.00 46.19 45.48 1g3g s LEU 143 CO 0.17 0.07 -0.21 -0.69 1.01 0.00 0.00 176.35 176.70 1g3g s VAL 144 N -0.69 1.63 -0.13 -1.59 1.01 -0.11 0.73 120.40 121.24 1g3g s VAL 144 Ca 0.02 -0.94 -0.02 0.00 0.00 0.00 0.00 61.98 61.04 1g3g s VAL 144 Cb -0.07 -1.36 -0.03 0.00 0.00 0.00 0.00 36.38 34.92 1g3g s VAL 144 CO 0.01 0.41 -0.05 -0.63 0.00 0.00 0.00 175.10 174.83 1g3g s ILE 145 N -0.54 3.77 -0.15 2.22 1.01 0.33 0.21 121.20 128.04 1g3g s ILE 145 Ca 0.08 -0.41 0.01 0.00 0.00 0.00 0.00 60.65 60.33 1g3g s ILE 145 Cb -0.08 -2.62 0.00 0.00 0.01 0.00 0.00 42.46 39.77 1g3g s ILE 145 CO -0.00 0.52 -0.19 0.12 0.00 0.00 0.00 174.94 175.39 1g3g s PHE 146 N 0.09 2.72 -0.12 3.97 5.36 0.40 -2.88 117.98 127.52 1g3g s PHE 146 Ca -0.01 -1.19 -0.02 0.00 -0.96 0.00 0.00 56.93 54.74 1g3g s PHE 146 Cb -0.14 -1.85 -0.03 0.00 -0.34 0.00 0.00 43.02 40.67 1g3g s PHE 146 CO 0.03 -0.54 -0.05 0.42 -1.46 0.00 0.00 175.22 173.62 1g3g s ILE 147 N 0.81 3.82 -0.26 3.12 1.09 -1.26 0.93 121.20 129.45 1g3g s ILE 147 Ca -0.06 -0.40 -0.29 0.00 -1.10 0.00 0.00 60.65 58.80 1g3g s ILE 147 Cb -0.15 -2.63 0.01 0.00 -1.06 0.00 0.00 42.46 38.62 1g3g s ILE 147 CO -0.01 0.53 1.13 0.20 -0.10 0.00 0.00 174.94 176.69 1g3g s ASN 148 N -0.08 6.95 0.46 3.58 -0.87 -1.26 -4.90 114.94 118.82 1g3g s ASN 148 Ca 0.01 1.28 0.20 0.00 -1.57 0.00 0.00 52.86 52.79 1g3g s ASN 148 Cb -0.13 -2.54 1.14 0.00 -0.02 0.00 0.00 41.25 39.69 1g3g s ASN 148 CO 0.03 -0.82 1.99 0.44 -2.57 0.00 0.00 177.10 176.16 1g3g h ASP 149 N 8.08 0.00 -0.41 -1.22 3.32 -1.96 -2.78 116.42 121.44 1g3g h ASP 149 Ca -0.22 0.00 0.01 0.00 0.02 0.00 0.00 57.03 56.84 1g3g h ASP 149 Cb 1.07 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.60 1g3g h ASP 149 CO 1.01 0.20 0.26 0.11 -1.72 0.00 0.00 179.24 179.10 1g3g h LYS 150 N 0.00 0.52 -0.61 3.56 1.79 -1.90 -1.47 116.57 118.46 1g3g h LYS 150 Ca -0.00 -0.03 0.04 0.00 -2.18 0.00 0.00 60.65 58.48 1g3g h LYS 150 Cb 0.41 -0.12 -0.05 0.00 -1.58 0.00 0.00 32.23 30.89 1g3g h LYS 150 CO 0.03 0.35 0.35 0.35 -1.08 0.00 0.00 179.45 179.44 1g3g h PHE 151 N 0.54 0.64 -0.21 -1.35 3.04 -1.62 -1.32 116.94 116.66 1g3g h PHE 151 Ca 0.15 0.02 -0.00 0.00 3.98 0.00 0.00 57.97 62.12 1g3g h PHE 151 Cb -0.05 -0.20 -0.01 0.00 2.56 0.00 0.00 35.95 38.25 1g3g h PHE 151 CO -0.05 0.33 0.12 0.87 -2.02 0.00 0.00 178.31 177.56 1g3g h LYS 152 N 0.67 0.30 -0.73 1.11 1.57 -1.47 -2.59 116.57 115.42 1g3g h LYS 152 Ca 0.26 -0.03 0.03 0.00 -1.87 0.00 0.00 60.65 59.04 1g3g h LYS 152 Cb 0.11 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.32 1g3g h LYS 152 CO -0.14 0.27 0.48 1.96 -0.57 0.00 0.00 179.45 181.44 1g3g h GLN 153 N 0.25 0.87 -0.58 3.15 1.08 -0.89 -2.16 115.11 116.83 1g3g h GLN 153 Ca 0.08 -0.05 0.03 0.00 -1.45 0.00 0.00 58.65 57.26 1g3g h GLN 153 Cb 0.05 -0.20 -0.04 0.00 -0.05 0.00 0.00 27.48 27.25 1g3g h GLN 153 CO -0.01 0.58 0.34 0.00 -0.95 0.00 0.00 178.83 178.79 1g3g h LEU 155 N 0.67 0.64 -0.25 0.00 -0.00 -1.18 0.87 115.31 116.05 1g3g h LEU 155 Ca 0.24 -0.16 0.03 0.00 -0.00 0.00 0.00 57.88 57.99 1g3g h LEU 155 Cb 0.05 -0.17 -0.03 0.00 -0.00 0.00 0.00 40.66 40.52 1g3g h LEU 155 CO -0.12 0.74 0.08 -0.33 -0.00 0.00 0.00 178.44 178.82 1g3g h GLU 156 N 0.62 0.19 0.01 1.13 3.07 -0.97 -2.96 114.58 115.67 1g3g h GLU 156 Ca 0.12 -0.01 -0.26 0.00 -0.50 0.00 0.00 59.36 58.71 1g3g h GLU 156 Cb 0.46 -0.04 -0.04 0.00 -0.84 0.00 0.00 28.75 28.29 1g3g h GLU 156 CO 0.02 0.13 -1.42 1.96 -1.40 0.00 0.00 179.01 178.30 1g3g h GLN 157 N 0.20 0.02 -6.62 2.33 1.08 -1.34 -3.49 115.11 107.29 1g3g h GLN 157 Ca 0.11 -0.03 -0.45 0.00 -1.45 0.00 0.00 58.65 56.82 1g3g h GLN 157 Cb 0.08 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.52 1g3g h GLN 157 CO -0.11 0.74 -0.98 0.27 -0.95 0.00 0.00 178.83 177.80 1g3g n ASN 158 N -3.20 -5.07 -4.74 1.46 0.23 0.30 -4.86 115.26 99.39 1g3g n ASN 158 Ca -0.10 -0.92 -0.41 0.00 -0.53 0.00 0.00 54.58 52.61 1g3g n ASN 158 Cb 1.01 -2.08 -0.03 0.00 -2.08 0.00 0.00 39.78 36.60 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 -5.07 4.40 -0.11 -3.83 2.20 -1.26 -4.96 119.74 111.10 1g3g s LYS 159 Ca 0.07 2.03 -0.29 0.00 -0.36 0.00 0.00 55.97 57.41 1g3g s LYS 159 Cb -0.04 -3.21 -0.03 0.00 -1.51 0.00 0.00 37.83 33.04 1g3g s LYS 159 CO 0.89 -0.25 1.43 0.14 -0.36 0.00 0.00 175.35 177.20 1g3g s VAL 160 N 0.18 3.97 0.04 4.02 -7.23 -1.26 -4.85 120.40 115.27 1g3g s VAL 160 Ca 0.57 1.19 0.00 0.00 -1.81 0.00 0.00 61.98 61.92 1g3g s VAL 160 Cb -0.36 -3.77 0.00 0.00 0.56 0.00 0.00 36.38 32.82 1g3g s VAL 160 CO 0.37 -0.10 0.00 -0.90 -0.31 0.00 0.00 175.10 174.17 1g3g n ASP 161 N 6.72 0.17 -2.05 4.85 5.68 -1.26 -5.15 116.55 125.51 1g3g n ASP 161 Ca 0.15 0.07 0.00 0.00 -0.50 0.00 0.00 54.79 54.51 1g3g n ASP 161 Cb 0.44 -0.02 0.00 0.00 -1.14 0.00 0.00 41.12 40.40 1g3g n ASP 161 CO 0.00 0.00 0.00 -1.14 -1.33 0.00 0.00 177.20 174.73 1g3g n ARG 162 N -2.75 -5.49 -4.02 0.11 0.63 -1.26 -4.97 116.66 98.91 1g3g n ARG 162 Ca 0.00 3.90 -0.35 0.00 -0.92 0.00 0.00 57.85 60.48 1g3g n ARG 162 Cb 0.00 -4.21 -0.10 0.00 0.45 0.00 0.00 32.46 28.59 1g3g n ARG 162 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1g3g s ILE 163 N -0.51 4.62 -1.49 5.15 1.01 -1.26 -5.24 121.20 123.48 1g3g s ILE 163 Ca 0.00 -0.09 0.12 0.00 0.00 0.00 0.00 60.65 60.68 1g3g s ILE 163 Cb 0.00 -3.09 0.09 0.00 0.01 0.00 0.00 42.46 39.48 1g3g s ILE 163 CO 0.00 0.44 0.88 -1.14 0.00 0.00 0.00 174.94 175.12